A0A096NE20_PAPAN Loading...

FEZ family zinc finger 1

AlphaFold DB (A0A2K5YWS7), UniProt , Accession A0A096NE20, Species PAPAN (Papio anubis, Olive baboon), Gene FEZF1, Length 475 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
1M34.8Very low32.3Very low239 Ų239142.8 Ų142.8100%1.17782%0.819SS**  0133.90-72.6-176.316300107.1
2D32.3Very low31.9Very low159 Ų159145.9 Ų145.985%0.8582%0.824SS**  trans57.8137.4176.9-61.6-30.1000121.5
3S30.4Very low31.8Very low115 Ų115146.6 Ų146.680%0.80482%0.823SS**  trans143.696.2143.9-65.80000110.1
4S33.9Very low31.4Very low98 Ų98142.4 Ų142.469%0.68582%0.816SS**  61.4127.484.9-169.10000114.5H6S4-H6 PolarHBondContact OG-ND1 3.31Å
5C25.9Very low31.2Very low134 Ų134142.1 Ų142.191%0.90582%0.818SS**  trans-137.991.3153.2-149.20000109.4
6H33.8Very low31Very low152 Ų152139 Ų13970%0.70482%0.815SS**  trans-62.7140.3157.3-85.153.9000109.5S4S4-H6 PolarHBondContact OG-ND1 3.31Å
7N36.3Very low31.2Very low155 Ų155138.6 Ų138.683%0.82982%0.817SS**  79.2127.469.6-15022.5000114.1
8A31.1Very low31Very low85 Ų85135.9 Ų135.970%0.70281%0.813SS**  trans178.6137.5162.800000108.8
9T34.4Very low30.9Very low128 Ų128142.2 Ų142.279%0.78582%0.821SS**  cis-169.2157.1-3.6-13.90000103.9
10T30.7Very low30.6Very low130 Ų130139 Ų13980%0.79882%0.82SS**  -170.2141.462.2-490000109.9
11K32Very low30.6Very low176 Ų176139.7 Ų139.777%0.76582%0.821SS**  trans-79.1155.8175.5-72.9175.1171.5179.10112.2
12M27.5Very low30.3Very low180 Ų180137.1 Ų137.189%0.88781%0.808SS**  trans-144139132.4-88.1-61.512700109.4
13L29.9Very low30.2Very low155 Ų155138.1 Ų138.181%0.81281%0.809SS**  trans-72.7152.9-176.6-81.681.9000112.7
14A26.1Very low30.1Very low87 Ų87138 Ų13872%0.71981%0.809SS**  175.6129.1118.200000113.1
15T29.4Very low30.1Very low138 Ų138139.6 Ų139.685%0.84782%0.815SS**  trans51.2120.2142.751.30000122.2
16A27.5Very low30.3Very low93 Ų93138.5 Ų138.577%0.76981%0.808SS**  trans-71.2162.2155.700000111.4
17P33.7Very low30.3Very low132 Ų132140.6 Ų140.686%0.85782%0.815SS**  -143.317690.535.4-17.1000115.7
18A28.3Very low30.2Very low90 Ų90138.9 Ų138.974%0.74481%0.813SS**  trans-66.6152.9-170.300000117.3
19R29.1Very low30.4Very low256 Ų256142.6 Ų142.697%0.96682%0.82SS**  156.8146125.1-90177.3171.2-179.7-1.7111.3
20G25.5Very low30.2Very low78 Ų78139.6 Ų139.680%0.80481%0.808SS**  trans123.479.7153.300000115.9
21N29.7Very low30.3Very low154 Ų154142.8 Ų142.882%0.82481%0.811SS**  trans-75.3120166.3-160.124.2000109
22M28.2Very low30.4Very low185 Ų185138.6 Ų138.691%0.91180%0.804SS**  trans-148110.4160.8-69.6-159.9154.100110.9
23M30.4Very low31Very low179 Ų179136.9 Ų136.988%0.88280%0.797SS**  trans-64.7132.3169.8-70.9-175.715100110.8
24S29.5Very low31.4Very low113 Ų113137.7 Ų137.779%0.7980%0.797SS**  trans-145.2105.414760.40000109.4S26S24-S26 PolarHBondContact O-N 3.37Å
25T32.1Very low31.9Very low132 Ų132144.9 Ų144.981%0.8181%0.805SS**  trans-74110.4178.551.60000109.6
26S31.4Very low32.3Very low110 Ų110145 Ų14577%0.76980%0.799SS**  trans-113.6115.4159.154.80000109.1S24S24-S26 PolarHBondContact O-N 3.37Å
27K34.2Very low32.8Very low196 Ų196149 Ų14985%0.85280%0.804SS**  trans-65.8126.1-173.2-65.3167.7179.6172.30110.2L29K27-L29 PolarHBondContact O-N 3.29Å
28P32.7Very low32.7Very low120 Ų120146.7 Ų146.778%0.77980%0.796SS**  trans-79121.9169.128.7-29.6000110A30P28-A30 VanDerWaalsContact C-N 3.32Å; P28-A30 PolarHBondContact O-N 3.28Å
29L35.8Very low32.9Very low163 Ų163154 Ų15485%0.85381%0.805SS**  trans-63.390.4170.4-74.8166.5000109.7K27 F31K27-L29 PolarHBondContact O-N 3.29Å; L29-F31 PolarHBondContact O-N 2.85Å
30A30.8Very low33Very low64 Ų64148.5 Ų148.553%0.52980%0.799SS.*  trans-77.9109.3169.700000109.1P28 S32P28-A30 VanDerWaalsContact C-N 3.32Å; P28-A30 PolarHBondContact O-N 3.28Å; A30-S32 VanDerWaalsContact C-N 3.32Å; A30-S32 PolarHBondContact O-N 2.96Å
31F32.3Very low33.4Very low197 Ų197150.4 Ų150.486%0.86480%0.798SS**  trans-75.989.1163.9-84.5-89.2000108.5L29L29-F31 PolarHBondContact O-N 2.85Å
32S34.7Very low33.7Very low88 Ų88151.8 Ų151.862%0.61580%0.799SS**  trans-70.3135.7167-67.20000109.8A30 E34A30-S32 VanDerWaalsContact C-N 3.32Å; A30-S32 PolarHBondContact O-N 2.96Å; S32-E34 PolarHBondContact O-N 2.78Å
33I40.5Very low33.9Very low144 Ų144149.1 Ų149.174%0.73880%0.796SS**G310 helixtrans-713.2-175.9-68.8174.4000112.8R35I33-R35 PolarHBondContact O-N 3.33Å
34E38.2Very low34Very low173 Ų173150.6 Ų150.681%0.80880%0.797SS**G310 helixtrans-81.8-7.3178.6-69.1-165.6156.900115.3S32 I36S32-E34 PolarHBondContact O-N 2.78Å; E34-I36 PolarHBondContact O-N 3.04Å
35R36.4Very low33.9Very low237 Ų237149.4 Ų149.489%0.89479%0.794SS**G310 helixtrans-79.710.7177-152.2177.2-176.5126.3-0.3114.6I33I33-R35 PolarHBondContact O-N 3.33Å
36I37.8Very low33.9Very low141 Ų141151 Ų15172%0.72380%0.797SS**G310 helixtrans-106.6-1.5-179.1-63.3177.5000112.4E34E34-I36 PolarHBondContact O-N 3.04Å
37M36.5Very low33.9Very low177 Ų177151.3 Ų151.387%0.87280%0.796SS**SBendtrans-12816.2-175.1-64.9-112.6102.800116.4
38A32.9Very low33.8Very low84 Ų84148.5 Ų148.569%0.69480%0.795SS**  trans-146.4138.4177.800000115
39R31.8Very low33.7Very low244 Ų244148.5 Ų148.592%0.92180%0.796SS**  trans100.983.9171.7-57.1-176.8-175.4-155.6-0.5116.5
40T31.2Very low33.4Very low139 Ų139149.1 Ų149.185%0.85379%0.794SS**PPolyproline II helixtrans-84.5121136.341.20000108.2
41P34.5Very low33.2Very low119 Ų119154.9 Ų154.977%0.77381%0.807SS**PPolyproline II helixtrans-77.4136160.228.7-26.9000109.4
42E34.6Very low33.2Very low183 Ų183153 Ų15386%0.85581%0.805SS**PPolyproline II helixtrans-58.2139.9173.6-64.2-150.7141.400112.1K44E42-K44 PolarHBondContact O-N 3.45Å
43P34.1Very low32.9Very low128 Ų128157.8 Ų157.883%0.83182%0.818SS**PPolyproline II helixtrans-81.8116.716930.2-27.9000110.5
44K31.6Very low32.2Very low210 Ų210154.5 Ų154.591%0.91382%0.819SS**PPolyproline II helixtrans-63138.1162.9-72.8179.1177-179.50109.8E42E42-K44 PolarHBondContact O-N 3.45Å
45A28.7Very low31.7Very low89 Ų89151.2 Ų151.274%0.73682%0.822SS**PPolyproline II helixtrans-69.1165.1-178.500000114.3
46L30.1Very low31.2Very low165 Ų165146.9 Ų146.986%0.86482%0.815SS**  trans118.7147.7158.9-63170.6000114.6
47P32.6Very low31Very low116 Ų116146.2 Ų146.275%0.75382%0.82SS**  -119.1157.1-5834.6-20.4000111.3
48V32.1Very low30.5Very low137 Ų137147.4 Ų147.483%0.8382%0.821SS**  trans-108.8135.7171.9-172.20000108.6
49P31Very low30.1Very low121 Ų121147.1 Ų147.179%0.78683%0.826SS**  trans-75.5147.4174.429.8-31.1000112.1
50H28.8Very low29.8Very low176 Ų176144 Ų14482%0.81582%0.822SS**  trans-69.1171.9-177.1-115.9-106.9000114.6
51F27Very low30.1Very low185 Ų185142.2 Ų142.281%0.81181%0.813SS**  trans97121.3172.6-69.9-97.8000114.2
52L31Very low29.6Very low158 Ų158144.9 Ų144.983%0.82781%0.812SS**  cis-149.7153.810.8-101.2156.5000112
53Q28.8Very low29.3Very low188 Ų188144.7 Ų144.788%0.87981%0.811SS**  trans-61.6148.8-178.7-154.784.116.700114.9
54G26.3Very low28.9Very low74 Ų74144.2 Ų144.276%0.76381%0.811SS**  trans177.177.3163.700000117.1
55A27.2Very low28.7Very low104 Ų104141.7 Ų141.786%0.8681%0.806SS**  trans52.2118.6149.400000122.9
56L26.4Very low28.6Very low146 Ų146145.8 Ų145.876%0.76481%0.81SS**  trans-75160.6157.9-107.3157.2000111.1
57P34Very low28.5Very low128 Ų128145.1 Ų145.183%0.83181%0.806SS**  -139.1167.889.931.8-13.1000116.6
58K26.3Very low28.1Very low201 Ų201147.5 Ų147.587%0.87481%0.813SS**  trans-73.4154.3-163.4-69.7162.2169.1174.70115.7
59G24.9Very low28Very low78 Ų78144.6 Ų144.680%0.80480%0.798SS**  trans-173.5101.1156.400000112.1
60E25.4Very low28Very low178 Ų178143.5 Ų143.583%0.83279%0.794SS**  trans-80.3166.5162.4-76.9-161.9165.100110.1
61P35.8Very low28Very low103 Ų103140.2 Ų140.267%0.66978%0.781SS**  cis-145.5162.727.233.4-8.8000119.7
62K25.9Very low28Very low174 Ų174135.8 Ų135.876%0.75777%0.771SS**  trans53.1116.7137.5-60.9168-172178.30121
63H27.2Very low27.8Very low179 Ų179131.4 Ų131.483%0.82975%0.753SS**  16599112.2-95.9-92.1000110.1
64S24.7Very low27.7Very low118 Ų118130.3 Ų130.383%0.82575%0.749SS**  trans-94.1104.7171.553.50000110.2
65L28.1Very low28Very low158 Ų158130.7 Ų130.783%0.82773%0.733SS**  trans-93.8116.5166.2-73.8173.1000109.8
66H26Very low27.9Very low174 Ų174130.9 Ų130.981%0.80673%0.726SS**  trans-47.2139.9157-90.8-117.5000110.9
67L28.2Very low27.9Very low151 Ų151133.9 Ų133.979%0.79173%0.733SS**  trans-163.185.6148.1-101.6158.1000110.9
68N25.4Very low27.6Very low167 Ų167133.2 Ų133.289%0.89373%0.727SS**  trans-84.3105.6154.1-92.7-33.4000108.1
69S29.6Very low27.7Very low75 Ų75129.5 Ų129.552%0.52472%0.723SS.*  trans-165.6132.7148.652.20000110.9I71S69-I71 PolarHBondContact O-N 2.83Å; S69-I71 VanDerWaalsContact OG-CG1 3.31Å; S69-I71 WeakPolarHBondContact OG-CG1 3.23Å
70S31.4Very low27.8Very low99 Ų99131.9 Ų131.969%0.69272%0.722SS**  trans-73.882.1165.8-70.20000108.5
71I27.3Very low27.7Very low107 Ų107127.8 Ų127.855%0.54972%0.718SS.*  trans-73.5121.2172.4-60173.3000108.1S69 C73 K295S69-I71 PolarHBondContact O-N 2.83Å; S69-I71 VanDerWaalsContact OG-CG1 3.31Å; S69-I71 WeakPolarHBondContact OG-CG1 3.23Å; I71-C73 PolarHBondContact O-N 3.39Å; I71-K295 PolarHBondContact O-NZ 3.34Å
72P27.9Very low27.3Very low91 Ų91132.3 Ų132.359%0.59172%0.723SS**  trans-61.2127.9165.326.7-30.1000107.3M74P72-M74 VanDerWaalsContact C-N 3.26Å; P72-M74 PolarHBondContact O-N 3.05Å
73C27Very low27.2Very low66 Ų66132.1 Ų132.145%0.44673%0.731SS.*  trans-68.894.1177.6176.50000106.2I71 I75I71-C73 PolarHBondContact O-N 3.39Å; C73-I75 PolarHBondContact O-N 3.2Å; C73-I75 VanDerWaalsContact SG-CG1 3.58Å
74M26.3Very low27.3Very low165 Ų165128.8 Ų128.881%0.81372%0.723SS**  trans-83.497.2159.1-68.6-64.617700104.6P72P72-M74 VanDerWaalsContact C-N 3.26Å; P72-M74 PolarHBondContact O-N 3.05Å
75I33Very low27.5Very low83 Ų83129 Ų12943%0.42672%0.724SS.*  trans-62.5127.9161.5-58.1174.5000105.3C73 F77C73-I75 PolarHBondContact O-N 3.2Å; C73-I75 VanDerWaalsContact SG-CG1 3.58Å; I75-F77 PolarHBondContact O-N 3.45Å; I75-F77 VanDerWaalsContact O-N 3.09Å
76P24.8Very low27.8Very low108 Ų108127.3 Ų127.370%0.70172%0.723SS**  trans-60.2116.8172.623.3-30000108.4V78P76-V78 PolarHBondContact O-N 3.37Å
77F26.4Very low28Very low208 Ų208129.1 Ų129.191%0.91273%0.728SS**  trans-66.6102.5167.1-98.1-96.2000107.2I75I75-F77 PolarHBondContact O-N 3.45Å; I75-F77 VanDerWaalsContact O-N 3.09Å
78V27.1Very low27.9Very low115 Ų115127.1 Ų127.170%0.69773%0.733SS**  trans-66.5129158.4-170.20000106.3P76 V80P76-V78 PolarHBondContact O-N 3.37Å; V78-V80 PolarHBondContact O-N 3.47Å
79P28.5Very low27.9Very low123 Ų123123 Ų12380%0.79973%0.731SS**  trans-68.8106.1178.1-923.3000109
80V27.1Very low27.8Very low128 Ų128126.1 Ų126.178%0.77675%0.746SS**  trans-81.2118.9160.5-177.20000106V78 Y82V78-V80 PolarHBondContact O-N 3.47Å; V80-Y82 PolarHBondContact O-N 2.98Å
81A24.7Very low27.6Very low92 Ų92128.3 Ų128.376%0.7676%0.756SS**  trans-53.6124.6171.900000108.9
82Y25.6Very low27.4Very low198 Ų198128.1 Ų128.178%0.77676%0.764SS**  trans-94.8115.6168.353.8-89.3000106.9V80 T84V80-Y82 PolarHBondContact O-N 2.98Å; Y82-T84 HydrophobicContact CD2-CG2 3.92Å; Y82-T84 HydrophobicContact CE2-CG2 3.99Å; Y82-T84 PolarHBondContact O-N 2.73Å
83D25.1Very low27.3Very low170 Ų170128.4 Ų128.491%0.90977%0.768SS**  trans-64.9118.9165.4-85.1-40.2000108.9
84T29.2Very low27.3Very low109 Ų109134.2 Ų134.267%0.66979%0.788SS**  trans-93.4115.4163.743.20000108.4Y82Y82-T84 HydrophobicContact CD2-CG2 3.92Å; Y82-T84 HydrophobicContact CE2-CG2 3.99Å; Y82-T84 PolarHBondContact O-N 2.73Å
85S27.9Very low27.4Very low122 Ų122135.1 Ų135.185%0.85379%0.791SS**  trans-155.7154.4146.5-92.90000113.2
86P35.5Very low27.3Very low122 Ų122142.9 Ų142.979%0.79282%0.815SS**  trans-101165-14934.7-24.8000114.1
87K29.3Very low27.4Very low213 Ų213147.7 Ų147.793%0.92683%0.825SS**  trans-78.1134.8173.3-73.4-178.8173.5-175.60111.8
88A27.1Very low27.4Very low108 Ų108142.3 Ų142.389%0.89382%0.819SS**  trans-173.9147.1130.700000111.3
89G24.9Very low27.4Very low82 Ų82141.7 Ų141.785%0.84582%0.819SS**  trans117.8106.7154.600000116.6
90V27.4Very low27.3Very low139 Ų139143.1 Ų143.184%0.84282%0.819SS**  trans-83.4144172.7174.30000109.7
91T26.6Very low27.3Very low146 Ų146146 Ų14690%0.89682%0.824SS**  trans-174165.7134.327.40000110.9
92S24.2Very low27.3Very low103 Ų103146.1 Ų146.172%0.7283%0.825SS**  trans-86.1162.6-148.2175.70000116.7
93S26.3Very low27.9Very low96 Ų96142.6 Ų142.667%0.67183%0.827SS**  trans57.2122.4142.8560000121
94E27Very low27.9Very low188 Ų188139.1 Ų139.188%0.87982%0.821SS**  -177.8148.198.8-97.7-167.7122.900112.5
95Q28.4Very low27.7Very low185 Ų185138.2 Ų138.286%0.86483%0.825SS**  trans-82.3148.5175.6-76.2160.1-73.300112.1
96R30.4Very low28Very low245 Ų245138.3 Ų138.393%0.92582%0.823SS**  trans-175.1103.7143-96.9164.7-155.4-140.89106.8
97K26.9Very low27.6Very low210 Ų210137.3 Ų137.391%0.91383%0.825SS**  59130.383.4-96.2-172.2-179.8-178.10116.7
98A26.3Very low27.3Very low95 Ų95131.1 Ų131.179%0.78581%0.814SS**  trans78.8142.9159.300000117.1
99S25.9Very low27.1Very low101 Ų101132.6 Ų132.671%0.70681%0.811SS**  cis-169.2154.1-4.2-102.10000108.9
100L28Very low27.6Very low153 Ų153133.7 Ų133.780%0.80180%0.803SS**  trans24.8129.6145.6-68129.4000120.8
101E25.9Very low27.4Very low189 Ų189132.6 Ų132.688%0.88380%0.802SS**  -178.2140.9100.6-98.4178.3127.800112.6
102A26.2Very low27.4Very low94 Ų94130.1 Ų130.178%0.77780%0.796SS**  trans-134.3142.8160.400000106.5
103P36.4Very low27.6Very low125 Ų125130.7 Ų130.781%0.81280%0.797SS**  -149.4175.8116.733.4-14.1000110.7
104A25.4Very low27.4Very low96 Ų96130.8 Ų130.879%0.79380%0.804SS**  cis-161.9158.5-500000106.7
105A25.2Very low27.4Very low91 Ų91131.5 Ų131.575%0.75281%0.805SS**  trans-88.3169.6163.800000110.4
106P35.6Very low27.3Very low123 Ų123127.6 Ų127.680%0.79980%0.798SS**  -154.6165.48537.6-16.9000118.9
107A25.1Very low27.2Very low101 Ų101120.6 Ų120.684%0.83579%0.785SS**  trans66.9146.1147.100000121.6
108A23.4Very low27.4Very low84 Ų84115.7 Ų115.769%0.69477%0.769SS**  cis-175134.7-15.600000110.2
109V23.6Very low27.7Very low138 Ų138117.2 Ų117.284%0.83676%0.764SS**  trans55.8160.5152.6-99.50000124.2
110P35.3Very low28.3Very low106 Ų106117.2 Ų117.269%0.68876%0.756SS**  cis-137.9164.7-16.832.8-11.4000118.5
111S24.1Very low28.7Very low116 Ų116115.3 Ų115.381%0.81175%0.745SS**  trans70.5109.8140.762.20000124.6
112A24.7Very low29.1Very low94 Ų94111.6 Ų111.678%0.77773%0.732SS**  trans-159.3143.9132.300000109.6A114A112-A114 PolarHBondContact O-N 2.83Å
113P28.7Very low29.5Very low114 Ų114109.2 Ų109.274%0.7471%0.709SS**  trans-79.9124.1-16430.4-33000113.1
114A23.8Very low29.4Very low99 Ų99105.1 Ų105.182%0.81869%0.685SS**  trans-73.7121.6164.900000110A112 S116A112-A114 PolarHBondContact O-N 2.83Å; A114-S116 PolarHBondContact O-N 3.43Å
115F27Very low29.9Very low203 Ų203106.7 Ų106.789%0.8968%0.68SS**  trans-72.5113.8171.1-78.7-87.6000110
116S25.1Very low30.2Very low103 Ų103107.6 Ų107.672%0.7268%0.681SS**  trans-67.7135.6179.6171.30000112.8A114 N118A114-S116 PolarHBondContact O-N 3.43Å; S116-N118 PolarHBondContact O-N 3.2Å; S116-N118 VanDerWaalsContact O-N 3.08Å
117C28.2Very low30.3Very low98 Ų98107.4 Ų107.466%0.66267%0.672SS**  trans-80.976-177.1-156.20000111.2
118N30.5Very low30.5Very low106 Ų106111.2 Ų111.257%0.56767%0.67SS**  trans-95.4-3.6-179.5-126.26.9000114.5S116S116-N118 PolarHBondContact O-N 3.2Å; S116-N118 VanDerWaalsContact O-N 3.08Å
119D34.1Very low30.9Very low127 Ų127110.1 Ų110.168%0.67967%0.667SS**Hα-helixtrans-85.8-17.9-174.6-79.2-23.5000114.6
120L38.6Very low31.3Very low102 Ų102111.2 Ų111.253%0.53467%0.668SS.*Hα-helixtrans-83.9-31.6179.9-70.9174.4000112.5N122 C123 A124L120-N122 VanDerWaalsContact C-N 3.33Å; L120-N122 PolarHBondContact O-N 3.11Å; L120-C123 PolarHBondContact O-N 3.32Å; L120-A124 PolarHBondContact O-N 3.12Å
121L36.8Very low31.2Very low112 Ų112114.8 Ų114.859%0.58668%0.68SS**Hα-helixtrans-67.9-35.3-177.1-162.562.6000111.7A124 L125L121-A124 PolarHBondContact O-N 2.78Å; L121-L125 WeakPolarHBondContact O-CG 3.43Å; L121-L125 PolarHBondContact O-N 3.1Å
122N32.6Very low31.4Very low112 Ų112113.9 Ų113.960%0.59968%0.68SS**Hα-helixtrans-74.8-25.8176-72.4-39.1000113.7L120L120-N122 VanDerWaalsContact C-N 3.33Å; L120-N122 PolarHBondContact O-N 3.11Å
123C35.3Very low31.6Very low44 Ų44120.9 Ų120.930%0.29769%0.686SS.*Hα-helixtrans-78.9-26.8169.8-92.80000112L120 C304L120-C123 PolarHBondContact O-N 3.32Å; C123-C304 WeakPolarHBondContact CB-SG 3.28Å; C123-C304 WeakPolarHBondContact SG-CB 3.21Å; C123-C304 CovalentContact SG-SG 2.08Å; C123-C304 PolarHBondContact SG-SG 3.32Å
124A34.4Very low31.5Very low38 Ų38123 Ų12331%0.31469%0.691SS.*Hα-helixtrans-70.7-34.9176.800000113L120 L121 S126 L127 K128L120-A124 PolarHBondContact O-N 3.12Å; L121-A124 PolarHBondContact O-N 2.78Å; A124-S126 VanDerWaalsContact C-N 3.32Å; A124-S126 PolarHBondContact O-N 3.25Å; A124-L127 PolarHBondContact O-N 3.15Å; A124-K128 PolarHBondContact O-N 2.8Å
125L34.9Very low31.5Very low129 Ų129122.6 Ų122.668%0.67569%0.688SS**Hα-helixtrans-70.9-22.2179.4-70.1169.1000113.8L121L121-L125 WeakPolarHBondContact O-CG 3.43Å; L121-L125 PolarHBondContact O-N 3.1Å
126S31.7Very low31.4Very low110 Ų110120.9 Ų120.977%0.76969%0.687SS**THydrogen-bonded Turntrans-84.3-7.1173.2-82.90000114.7A124A124-S126 VanDerWaalsContact C-N 3.32Å; A124-S126 PolarHBondContact O-N 3.25Å
127L38.8Very low31.7Very low120 Ų120121.5 Ų121.563%0.62869%0.689SS**THydrogen-bonded Turntrans-115-9.2-177.2-73.3166.7000113.8A124A124-L127 PolarHBondContact O-N 3.15Å
128K29.5Very low31.6Very low181 Ų181125.1 Ų125.179%0.78770%0.701SS**  trans-102.949.5179-74.3-173.3175.5-1760112.7A124A124-K128 PolarHBondContact O-N 2.8Å
129G32.3Very low31.4Very low60 Ų60128.5 Ų128.562%0.61971%0.713SS**SBendtrans-124.769.2168.500000109.5
130D30.3Very low31.2Very low162 Ų162131.5 Ų131.587%0.86672%0.723SS**SBendtrans-177.529.7166.9-89.3-27.3000113.6
131L34Very low30.6Very low180 Ų180136.5 Ų136.594%0.94274%0.736SS**  trans-144.276.2173.2-74.3175.7000111.1
132A27.5Very low30.2Very low97 Ų97141.3 Ų141.380%0.80275%0.752SS**  trans-156.793.8158.400000108.9
133R29.3Very low29.9Very low241 Ų241142 Ų14291%0.90976%0.756SS**  trans-165.684.3153.8-107.3171.5-178.91701108.5
134D27.9Very low29.6Very low158 Ų158147 Ų14785%0.84579%0.785SS**  trans31.4125.1145.2-52.1-41.5000120.9
135A23.3Very low29Very low92 Ų92155.3 Ų155.376%0.7681%0.808SS**  trans-84.9136.6152.600000109.7
136L24.7Very low28.5Very low166 Ų166154.5 Ų154.587%0.86981%0.81SS**  trans158.8161.1138.7-86.1165.7000109.9
137P31.4Very low28.2Very low116 Ų116160.4 Ų160.475%0.75382%0.816SS**  -113.5170.4-72.725.4-4.8000112.4
138L25.5Very low27.6Very low175 Ų175160.9 Ų160.992%0.91682%0.823SS**  trans-60.3130-177.7-71.4162.9000114
139Q26Very low27.4Very low177 Ų177157.2 Ų157.283%0.82782%0.816SS**  trans-145.9149.5137.1-96.1-156.2-8.600111.6
140Q31.3Very low27Very low190 Ų190161.3 Ų161.389%0.88882%0.823SS**  trans-71.2128-159.8-65.3160.4-3800114.2
141Y24.6Very low26.7Very low207 Ų207161 Ų16181%0.81282%0.816SS**  trans-155.5121.5147.628.6-92000110.6L143Y141-L143 PolarHBondContact O-N 3.33Å
142K29.4Very low26.2Very low212 Ų212157.2 Ų157.292%0.92281%0.805SS**  trans-64.7116.3168.1-81175.4175.4174.30108.3
143L25Very low26.3Very low128 Ų128157.7 Ų157.767%0.6780%0.803SS**  trans-139.1114.7158.4-125.4101.4000109.7Y141 R145Y141-L143 PolarHBondContact O-N 3.33Å; L143-R145 HydrophobicContact CD2-CG 4.46Å; L143-R145 PolarHBondContact O-N 3.11Å
144V28.8Very low26Very low149 Ų149155.1 Ų155.190%0.90380%0.798SS**  trans-64.1123.2168.1174.10000107.9
145R23.4Very low26Very low212 Ų212155.9 Ų155.980%0.880%0.797SS**  trans-142.8154.3170.1-87.2-160-175.3-173.33.2112.7L143L143-R145 HydrophobicContact CD2-CG 4.46Å; L143-R145 PolarHBondContact O-N 3.11Å
146P24.6Very low26.1Very low112 Ų112155.8 Ų155.873%0.72780%0.796SS**  trans-91164-141.2-5.324.6000114.8V148P146-V148 PolarHBondContact O-N 2.89Å
147R25.6Very low26.2Very low234 Ų234156.5 Ų156.588%0.88380%0.797SS**  trans-54.5104.2171.8-165.9177.2-171.2158.6-0.2111.6V149R147-V149 HydrophobicContact CG-CG2 4.43Å
148V24.8Very low25.9Very low129 Ų129154.6 Ų154.678%0.78280%0.798SS**  trans-93.8109.4165.3-179.50000108.5P146 N150P146-V148 PolarHBondContact O-N 2.89Å; V148-N150 PolarHBondContact O-N 2.8Å
149V26.1Very low25.8Very low105 Ų105151.2 Ų151.264%0.63680%0.795SS**  trans-77.7116173.5177.60000108R147 H151R147-V149 HydrophobicContact CG-CG2 4.43Å; V149-H151 PolarHBondContact O-N 3.39Å; V149-H151 VanDerWaalsContact O-N 3.16Å
150N24.1Very low25.8Very low145 Ų145150.9 Ų150.978%0.77580%0.798SS**  trans-68.2108.3169.1-83.1-32.3000109.3V148 S152V148-N150 PolarHBondContact O-N 2.8Å; N150-S152 PolarHBondContact O-N 2.89Å; N150-S152 VanDerWaalsContact O-N 3.08Å
151H24.2Very low25.6Very low156 Ų156147.4 Ų147.472%0.72279%0.794SS**  trans-64.9104.7166.3-111.8-90.7000109V149 F154V149-H151 PolarHBondContact O-N 3.39Å; V149-H151 VanDerWaalsContact O-N 3.16Å; H151-F154 AromaticContact CE1-CE2 3.7Å
152S23.2Very low25.6Very low100 Ų100148.4 Ų148.470%0.69980%0.798SS**  trans-125.6131.4157.966.80000107.3N150N150-S152 PolarHBondContact O-N 2.89Å; N150-S152 VanDerWaalsContact O-N 3.08Å
153S28.3Very low25.5Very low108 Ų108146 Ų14676%0.75579%0.794SS**  trans94.279.5173.3-30.90000116.1
154F24.2Very low25.5Very low186 Ų186147.9 Ų147.982%0.81681%0.805SS**  trans-88.9106146.6-104.5-87.2000107.8H151H151-F154 AromaticContact CE1-CE2 3.7Å
155H28Very low25.4Very low175 Ų175152.6 Ų152.681%0.8181%0.806SS**  trans-90.9124.7159.8-119.6-101.3000106.5M157H155-M157 PolarHBondContact O-N 3.17Å
156A24.7Very low25.4Very low90 Ų90145.5 Ų145.574%0.74480%0.799SS**  trans-63.9125.6172.200000110.4
157M27.3Very low25.4Very low181 Ų181148.3 Ų148.389%0.89281%0.808SS**  trans-149.8118.1159.6-79.4-68.6-84.500108.7H155H155-M157 PolarHBondContact O-N 3.17Å
158G24.4Very low25.5Very low76 Ų76140.6 Ų140.678%0.78480%0.801SS**  trans66.796.9142.800000118.4L160G158-L160 PolarHBondContact O-N 3.29Å
159A24.7Very low25.9Very low103 Ų103140.4 Ų140.485%0.85180%0.803SS**  trans-64.8121150.700000109
160L25.9Very low25.9Very low170 Ų170141.9 Ų141.989%0.8982%0.816SS**  trans-129119.9153.2-79.6177.1000107.7G158G158-L160 PolarHBondContact O-N 3.29Å
161C25.4Very low26Very low118 Ų118143.7 Ų143.780%0.79782%0.819SS**  trans-55.6135172.1-56.30000110.6
162Y24.9Very low26.8Very low227 Ų227141.6 Ų141.689%0.8982%0.819SS**  trans-140.9117.2148.5-106-86.4000108.7
163L27.3Very low26.9Very low161 Ų161141.2 Ų141.284%0.84382%0.822SS**  trans-67.1137.9162.7-70.2160.5000108.2
164N26Very low26.8Very low168 Ų168141 Ų14190%0.89883%0.827SS**  trans-152.2132.1140.6-106.2-25.2000111.6
165R25.7Very low26.8Very low249 Ų249135.7 Ų135.794%0.9483%0.825SS**  trans-74.9162.4178.5-84.8176.9165.5-177.1-4.9112
166G24.2Very low26.7Very low63 Ų63134.1 Ų134.165%0.64983%0.827SS**  trans135.2129.4154.100000111.7
167D25.2Very low26.8Very low171 Ų171136.6 Ų136.691%0.91483%0.828SS**  cis-170.5144.3-13.6-99.7-45.8000105.3
168G26.7Very low26.7Very low71 Ų71135.6 Ų135.673%0.73283%0.825SS**  trans99.9151.5152.500000119.7
169P33.6Very low26.7Very low126 Ų126140.1 Ų140.182%0.81883%0.825SS**  -128.4167.2-125.237-20.7000115.5
170C25.8Very low27.8Very low135 Ų135140.2 Ų140.291%0.91282%0.817SS**  trans-174.1115.3139.4-94.50000110.9
171H25.3Very low27.7Very low184 Ų184139 Ų13985%0.85282%0.816SS**  trans-96.3-177.7165.3-103.1-69.7000108.9
172P41.6Very low27.7Very low111 Ų111137.7 Ų137.772%0.72181%0.814SS**  cis-129.2179.5-29.831.4-10.1000110.7
173A24.8Very low27.9Very low92 Ų92131.1 Ų131.176%0.7680%0.801SS**  173.9146.890.700000113.5
174A26.1Very low27.8Very low104 Ų104134.7 Ų134.786%0.8681%0.805SS**  trans62.6114.5160.100000117.6
175G24.1Very low27.7Very low74 Ų74135.7 Ų135.776%0.76380%0.802SS**  103.3120.752.300000106.4
176V27Very low27.6Very low143 Ų143131.3 Ų131.387%0.86780%0.796SS**  -165.6143.759.4168.90000109.3
177N26.3Very low27.5Very low141 Ų141133.3 Ų133.375%0.75480%0.8SS**  trans-64.2162.1170.2-93.1-78.2000111.3
178I24.9Very low27.6Very low160 Ų160130.6 Ų130.682%0.82180%0.795SS**  178.3133.184.1-72.1153.4000107.8
179H25.2Very low28.1Very low171 Ų171132.4 Ų132.479%0.79279%0.794SS**  trans-76.4-162.9169-100.8-86.4000111.3
180P48.1Very low27.7Very low105 Ų105134.1 Ų134.168%0.68280%0.795SS**  -133.8162.1-51.936.4-20.7000112.5
181V24.5Very low28.3Very low145 Ų145136.6 Ų136.688%0.87979%0.793SS**  trans-154.3103.8157.6-168.40000108.8
182A24.3Very low28.4Very low91 Ų91132.7 Ų132.775%0.75278%0.784SS**  76.8123.791.500000116.1
183S29.3Very low27.9Very low88 Ų88134.8 Ų134.862%0.61578%0.784SS**  trans-59.9156.1177.345.80000116.4
184Y25Very low28.4Very low236 Ų236135.4 Ų135.493%0.92578%0.78SS**  trans-156.3156.2132.7-83.9-64000113
185F24.1Very low28.7Very low189 Ų189139.6 Ų139.683%0.82978%0.779SS**  trans-96.1176.1-156.7-106.9-99.4000115.7
186L23Very low29.4Very low158 Ų158140 Ų14083%0.82777%0.767SS**  trans135.1134.3141.6-71.1160.3000110.3
187S23.7Very low29.7Very low104 Ų104141.5 Ų141.573%0.72776%0.758SS**  cis-163.8158.30.5-76.90000108.6
188S27.3Very low30.2Very low115 Ų115139.8 Ų139.880%0.80475%0.748SS**  trans-64.9178.4172.6-56.70000113.2
189P36.8Very low30.6Very low109 Ų109135 Ų13571%0.70873%0.733SS**  cis-151.8-174.12439.7-14.3000118.9
190L24.8Very low31.3Very low161 Ų161133.1 Ų133.184%0.84372%0.724SS**  trans99.2123.3152.1-63.2164.9000121.2
191H38.5Very low30.7Very low187 Ų187135 Ų13587%0.86672%0.717SS**  trans-52.1154156.3-92.4135.8000112.8
192P27.9Very low31.3Very low103 Ų103132.3 Ų132.367%0.66970%0.699SS**  trans-118.4143.3145.613.47.2000114
193Q29.9Very low32.1Very low154 Ų154136.2 Ų136.272%0.7270%0.699SS**  trans-69.7163.3179.2-74.3-79.69.100113.9K195 T196Q193-K195 PolarHBondContact O-N 3.23Å; Q193-T196 PolarHBondContact O-OG1 3.11Å
194P34.9Very low32.6Very low105 Ų105139 Ų13968%0.68271%0.706SS**THydrogen-bonded Turntrans-71.79.1-166.427.9-34.5000117
195K32.6Very low33.3Very low193 Ų193132.7 Ų132.784%0.83969%0.691SS**THydrogen-bonded Turntrans-83.8-16.4177.8-68.9-176.3179.3179.90113.6Q193Q193-K195 PolarHBondContact O-N 3.23Å
196T39.2Very low34.1Very low82 Ų82128.7 Ų128.750%0.50368%0.682SS.*Hα-helixtrans-77.4-25.6179.6510000113.4Q193 L198 A199 E200Q193-T196 PolarHBondContact O-OG1 3.11Å; T196-L198 PolarHBondContact O-N 2.84Å; T196-A199 PolarHBondContact O-N 3.07Å; T196-E200 PolarHBondContact O-N 3.29Å; T196-E200 VanDerWaalsContact O-N 3.11Å
197Y33.4Very low34.7Very low175 Ų175126.2 Ų126.269%0.68668%0.676SS**Hα-helixtrans-67.8-34.6-177.1-165.5-99.2000113.4R201Y197-R201 WeakPolarHBondContact O-CB 3.16Å; Y197-R201 PolarHBondContact O-N 3.26Å; Y197-R201 VanDerWaalsContact O-N 3.12Å
198L36.2Very low35.2Very low105 Ų105125.6 Ų125.655%0.5568%0.677SS.*Hα-helixtrans-76.9-30.3180-143.978.4000112.1T196 N202T196-L198 PolarHBondContact O-N 2.84Å; L198-N202 PolarHBondContact O-N 3.44Å
199A34.9Very low35.7Very low59 Ų59125.8 Ų125.849%0.48867%0.673SS.*Hα-helixtrans-75.5-38.1176.700000112.3T196 N202 K203T196-A199 PolarHBondContact O-N 3.07Å; A199-N202 PolarHBondContact O-N 3.1Å; A199-K203 PolarHBondContact O-N 3.37Å; A199-K203 VanDerWaalsContact O-N 3.12Å
200E39.3Very low35.9Very low131 Ų131129.2 Ų129.261%0.61268%0.68SS**Hα-helixtrans-68.1-38171.4-91.3-163.1137.600112.5T196 N202 K203 L204T196-E200 PolarHBondContact O-N 3.29Å; T196-E200 VanDerWaalsContact O-N 3.11Å; E200-N202 VanDerWaalsContact C-N 3.29Å; E200-N202 PolarHBondContact O-N 2.88Å; E200-K203 PolarHBondContact O-N 2.71Å; E200-L204 PolarHBondContact O-N 3.22Å
201R35.6Very low36.7Very low144 Ų144130.4 Ų130.454%0.54368%0.678SS.*Hα-helixtrans-60.7-40174.4-165.2-175.278.1151.95111.8Y197 L204 V205Y197-R201 WeakPolarHBondContact O-CB 3.16Å; Y197-R201 PolarHBondContact O-N 3.26Å; Y197-R201 VanDerWaalsContact O-N 3.12Å; R201-L204 PolarHBondContact O-N 3.36Å; R201-V205 WeakPolarHBondContact O-CG2 3.35Å; R201-V205 PolarHBondContact O-N 2.97Å
202N36.5Very low36.4Very low90 Ų90131.5 Ų131.548%0.48168%0.676SS.*Hα-helixtrans-76.1-22.1178.5-71.1-7.3000113L198 A199 E200 V206L198-N202 PolarHBondContact O-N 3.44Å; A199-N202 PolarHBondContact O-N 3.1Å; E200-N202 VanDerWaalsContact C-N 3.29Å; E200-N202 PolarHBondContact O-N 2.88Å; N202-V206 WeakPolarHBondContact O-CG2 3.49Å
203K41.7Very low36.7Very low173 Ų173131.9 Ų131.975%0.75268%0.678SS**Hα-helixtrans-76-27.1168.8-78.6-176.7175.9-175.80113.4A199 E200A199-K203 PolarHBondContact O-N 3.37Å; A199-K203 VanDerWaalsContact O-N 3.12Å; E200-K203 PolarHBondContact O-N 2.71Å
204L40Very low37.5Very low146 Ų146130.5 Ų130.576%0.76469%0.685SS**SBendtrans-80.9-11.4176.9-77.5165.1000114.5E200 R201E200-L204 PolarHBondContact O-N 3.22Å; R201-L204 PolarHBondContact O-N 3.36Å
205V39.6Very low37.9Very low103 Ų103129.1 Ų129.162%0.62469%0.691SS**SBendtrans-91.1-13.2179.8172.80000112.5R201R201-V205 WeakPolarHBondContact O-CG2 3.35Å; R201-V205 PolarHBondContact O-N 2.97Å
206V40.2Very low38.4Very low106 Ų106125.3 Ų125.364%0.64268%0.683SS**SBendtrans-96.7-22.1-165.7-179.20000116.9N202N202-V206 WeakPolarHBondContact O-CG2 3.49Å
207P36.1Very low38.6Very low105 Ų105124.4 Ų124.468%0.68268%0.684SS**THydrogen-bonded Turntrans-103.430.9-179.837.4-30.8000114.7
208A32.8Very low39.1Very low91 Ų91123.4 Ų123.475%0.75268%0.683SS**THydrogen-bonded Turntrans-100.71.4172.200000113.7
209V39.2Very low39.6Very low120 Ų120127.6 Ų127.673%0.72770%0.697SS**SBendtrans-109.3-5.1-172.9-1740000113.4
210E40.9Very low40.2Very low181 Ų181131.1 Ų131.185%0.84671%0.708SS**SBendtrans-1059.9-171.7-75.7-171.5156.700116.8
211K40.8Very low40.9Very low186 Ų186128.2 Ų128.281%0.80970%0.696SS**SBendtrans-127.5104.8163.6-93.1-177.9176.6178.50110.2
212Y32.9Very low42.4Very low210 Ų210124.3 Ų124.382%0.82469%0.691SS**SBendtrans106.9119.5169.4-63.7-76.5000116
213P35Very low43.4Very low111 Ų111127.2 Ų127.272%0.72170%0.702SS**  trans-67.6140.5-176.427.8-32.6000111G215P213-G215 PolarHBondContact O-N 2.81Å
214S45.7Very low44.2Very low124 Ų124122.2 Ų122.287%0.86769%0.692SS**SBendtrans-46.7116.6159.552.30000110.1
215G44.3Very low45.1Very low77 Ų77120.1 Ų120.179%0.79468%0.679SS**  trans154.23.4165.900000120.5P213P213-G215 PolarHBondContact O-N 2.81Å
216V41.6Very low45.9Very low113 Ų113118.3 Ų118.369%0.68567%0.665SS**  trans-106.9116.7178.6-159.80000110.9
217A43.9Very low46.8Very low62 Ų62119.3 Ų119.351%0.51266%0.663SS.*  trans-67.9137.417500000110.3K219 D220A217-K219 PolarHBondContact O-N 2.76Å; A217-D220 PolarHBondContact O-N 3.37Å
218F44.4Very low48.2Very low154 Ų154120 Ų12068%0.67566%0.657SS**THydrogen-bonded Turntrans-57.40.3-179.7-95.7-90.7000116L226F218-L226 HydrophobicContact CD1-CD2 4.45Å; F218-L226 HydrophobicContact CE1-CD2 4.47Å
219K47.3Very low49.4Very low194 Ų194122.3 Ų122.384%0.84365%0.647SS**THydrogen-bonded Turntrans-87.9-12.6-177.6-76.4-178.1174.7-179.60114.3A217A217-K219 PolarHBondContact O-N 2.76Å
220D45.7Very low50.2Low132 Ų132122.8 Ų122.871%0.70664%0.643SS**SBendtrans-107.67.3-175-57.7-39.6000114.2A217A217-D220 PolarHBondContact O-N 3.37Å
221L55.3Low51.4Low70 Ų70121.5 Ų121.537%0.36664%0.635SS.*  trans-89.3126.1175.7-71.8103.9000111.1Q225 L226L221-Q225 HydrophobicContact CB-CB 4.38Å; L221-Q225 HydrophobicContact CD2-CB 4.06Å; L221-L226 HydrophobicContact CB-CD1 4.41Å; L221-L226 HydrophobicContact CB-CG 4.37Å
222S65.9Low52.5Low62 Ų62117.6 Ų117.643%0.43462%0.619SS.*  trans-60.7152.1172.668.60000111.2A224 Q225 L226S222-A224 PolarHBondContact O-N 3.27Å; S222-A224 VanDerWaalsContact O-N 3.07Å; S222-Q225 WeakPolarHBondContact O-CB 3.45Å; S222-Q225 PolarHBondContact O-N 3.04Å; S222-Q225 VanDerWaalsContact OG-CD 3.28Å; S222-Q225 WeakPolarHBondContact OG-CG 3.48Å; S222-Q225 PolarHBondContact OG-OE1 3.1Å; S222-L226 PolarHBondContact O-N 3.12Å
223Q58.3Low53.5Low152 Ų152110 Ų11071%0.7160%0.597SS**Hα-helixtrans-56.1-29.8-178.4-170.9167.44.300112.9Q227Q223-Q227 WeakPolarHBondContact O-CG 3.23Å; Q223-Q227 PolarHBondContact O-N 3.46Å; Q223-Q227 VanDerWaalsContact O-N 3.07Å
224A59Low54.4Low67 Ų67107.4 Ų107.455%0.55459%0.585SS**Hα-helixtrans-68-38174.400000112.8S222 Q227 H228S222-A224 PolarHBondContact O-N 3.27Å; S222-A224 VanDerWaalsContact O-N 3.07Å; A224-Q227 PolarHBondContact O-N 3.49Å; A224-H228 PolarHBondContact O-N 3.22Å
225Q58.9Low55Low103 Ų103106.7 Ų106.748%0.48157%0.568SS.*Hα-helixtrans-71.9-36.4178.5-69162.6-50.500111.6L221 S222 H228 Y229L221-Q225 HydrophobicContact CB-CB 4.38Å; L221-Q225 HydrophobicContact CD2-CB 4.06Å; S222-Q225 WeakPolarHBondContact O-CB 3.45Å; S222-Q225 PolarHBondContact O-N 3.04Å; S222-Q225 VanDerWaalsContact OG-CD 3.28Å; S222-Q225 WeakPolarHBondContact OG-CG 3.48Å; S222-Q225 PolarHBondContact OG-OE1 3.1Å; Q225-H228 PolarHBondContact O-N 3.38Å; Q225-Y229 WeakPolarHBondContact O-CB 3.45Å; Q225-Y229 PolarHBondContact O-N 3.39Å
226L55.7Low55.5Low65 Ų65107.5 Ų107.534%0.3455%0.553SS.*Hα-helixtrans-65.6-39.4172.3-89.9154.1000112.4F218 L221 S222 Y229 M230F218-L226 HydrophobicContact CD1-CD2 4.45Å; F218-L226 HydrophobicContact CE1-CD2 4.47Å; L221-L226 HydrophobicContact CB-CD1 4.41Å; L221-L226 HydrophobicContact CB-CG 4.37Å; S222-L226 PolarHBondContact O-N 3.12Å; L226-Y229 PolarHBondContact O-N 3.04Å; L226-M230 WeakPolarHBondContact O-CB 3.37Å; L226-M230 WeakPolarHBondContact O-CG 3.39Å; L226-M230 PolarHBondContact O-N 3.46Å
227Q58.9Low56Low127 Ų127107.4 Ų107.459%0.59355%0.548SS*.Hα-helixtrans-67.1-39.3174.9-76.4177.3-10.100112.2Q223 A224 M230 K231Q223-Q227 WeakPolarHBondContact O-CG 3.23Å; Q223-Q227 PolarHBondContact O-N 3.46Å; Q223-Q227 VanDerWaalsContact O-N 3.07Å; A224-Q227 PolarHBondContact O-N 3.49Å; Q227-M230 PolarHBondContact O-N 3.09Å; Q227-K231 WeakPolarHBondContact O-CB 3.47Å; Q227-K231 PolarHBondContact O-N 3.38Å
228H65.2Low56.6Low119 Ų119107.6 Ų107.655%0.55155%0.546SS*.Hα-helixtrans-61.2-47.8173.9-169.4-81000111.2A224 Q225 M230 K231 E232A224-H228 PolarHBondContact O-N 3.22Å; Q225-H228 PolarHBondContact O-N 3.38Å; H228-M230 PolarHBondContact O-N 2.73Å; H228-K231 PolarHBondContact O-N 3.01Å; H228-K231 VanDerWaalsContact O-N 3.16Å; H228-E232 IonicContact CE1-OE2 3.22Å; H228-E232 PolarHBondContact CE1-OE2 2.83Å; H228-E232 IonicContact ND1-OE2 2.88Å; H228-E232 PolarHBondContact ND1-OE2 3.24Å; H228-E232 WeakPolarHBondContact O-CB 3.33Å; H228-E232 PolarHBondContact O-N 2.93Å
229Y58.8Low57.1Low139 Ų139106 Ų10655%0.54554%0.541SS..Hα-helixtrans-59.8-43.2177.9-179.7-100.8000113Q225 L226 K231 S233Q225-Y229 WeakPolarHBondContact O-CB 3.45Å; Q225-Y229 PolarHBondContact O-N 3.39Å; L226-Y229 PolarHBondContact O-N 3.04Å; Y229-K231 VanDerWaalsContact C-N 3.34Å; Y229-K231 PolarHBondContact O-N 3.04Å; Y229-S233 WeakPolarHBondContact O-CB 3.35Å; Y229-S233 PolarHBondContact O-N 2.8Å; Y229-S233 PolarHBondContact O-OG 3Å
230M55.9Low57.5Low131 Ų131103.9 Ų103.965%0.64553%0.531SS*.Hα-helixtrans-65.3-36.7176.6-72.2-88.8-73.600112.3L226 Q227 H228 S233 A234L226-M230 WeakPolarHBondContact O-CB 3.37Å; L226-M230 WeakPolarHBondContact O-CG 3.39Å; L226-M230 PolarHBondContact O-N 3.46Å; Q227-M230 PolarHBondContact O-N 3.09Å; H228-M230 PolarHBondContact O-N 2.73Å; M230-S233 WeakPolarHBondContact CA-OG 3.3Å; M230-S233 PolarHBondContact O-OG 3.47Å; M230-A234 VanDerWaalsContact O-CB 3.23Å; M230-A234 WeakPolarHBondContact O-CB 3.3Å; M230-A234 PolarHBondContact O-N 3.41Å
231K66.6Low57.7Low154 Ų154102 Ų10267%0.6752%0.52SS*.Hα-helixtrans-72.6-42.1179.6-166175.8-179-176.10111.6Q227 H228 Y229 A234 Q235Q227-K231 WeakPolarHBondContact O-CB 3.47Å; Q227-K231 PolarHBondContact O-N 3.38Å; H228-K231 PolarHBondContact O-N 3.01Å; H228-K231 VanDerWaalsContact O-N 3.16Å; Y229-K231 VanDerWaalsContact C-N 3.34Å; Y229-K231 PolarHBondContact O-N 3.04Å; K231-A234 PolarHBondContact O-N 3.14Å; K231-Q235 WeakPolarHBondContact O-CB 3.48Å; K231-Q235 PolarHBondContact O-N 3.31Å
232E64.1Low57.2Low103 Ų103101.5 Ų101.548%0.48153%0.526SS..Hα-helixtrans-69.7-40.5179.6-163.3172.6-175.100111.7H228 Q235 L236H228-E232 IonicContact CE1-OE2 3.22Å; H228-E232 PolarHBondContact CE1-OE2 2.83Å; H228-E232 IonicContact ND1-OE2 2.88Å; H228-E232 PolarHBondContact ND1-OE2 3.24Å; H228-E232 WeakPolarHBondContact O-CB 3.33Å; H228-E232 PolarHBondContact O-N 2.93Å; E232-Q235 PolarHBondContact O-N 2.84Å; E232-L236 WeakPolarHBondContact O-CG 3.43Å; E232-L236 PolarHBondContact O-N 3.11Å
233S52.2Low55.9Low52 Ų52106.4 Ų106.436%0.36454%0.54SS..Hα-helixtrans-68-35.4173.254.50000113.2Y229 M230 L237Y229-S233 WeakPolarHBondContact O-CB 3.35Å; Y229-S233 PolarHBondContact O-N 2.8Å; Y229-S233 PolarHBondContact O-OG 3Å; M230-S233 WeakPolarHBondContact CA-OG 3.3Å; M230-S233 PolarHBondContact O-OG 3.47Å; S233-L237 WeakPolarHBondContact O-CB 3.41Å; S233-L237 PolarHBondContact O-N 3.32Å
234A55.2Low55.3Low56 Ų56107.1 Ų107.146%0.46354%0.541SS..Hα-helixtrans-67.8-36.3172.300000112.4M230 K231 L237 S238M230-A234 VanDerWaalsContact O-CB 3.23Å; M230-A234 WeakPolarHBondContact O-CB 3.3Å; M230-A234 PolarHBondContact O-N 3.41Å; K231-A234 PolarHBondContact O-N 3.14Å; A234-L237 PolarHBondContact O-N 2.96Å; A234-S238 WeakPolarHBondContact O-CB 3.49Å; A234-S238 PolarHBondContact O-N 2.95Å; A234-S238 PolarHBondContact O-OG 3.14Å
235Q58Low54.1Low108 Ų108107.8 Ų107.851%0.50554%0.538SS..Hα-helixtrans-68.7-45.1178.5-163163.1-5.400111.3K231 E232 L237 S238 E239K231-Q235 WeakPolarHBondContact O-CB 3.48Å; K231-Q235 PolarHBondContact O-N 3.31Å; E232-Q235 PolarHBondContact O-N 2.84Å; Q235-L237 VanDerWaalsContact C-N 3.29Å; Q235-L237 PolarHBondContact O-N 3.46Å; Q235-S238 WeakPolarHBondContact CA-OG 3.4Å; Q235-S238 PolarHBondContact O-N 2.89Å; Q235-S238 VanDerWaalsContact O-N 3.12Å; Q235-S238 PolarHBondContact O-OG 3.4Å; Q235-E239 PolarHBondContact O-N 2.92Å
236L55.2Low53.1Low95 Ų95106 Ų10650%0.49754%0.537SS..Hα-helixtrans-62.5-33.9173-74.6168.3000113.1E232 K240E232-L236 WeakPolarHBondContact O-CG 3.43Å; E232-L236 PolarHBondContact O-N 3.11Å; L236-K240 WeakPolarHBondContact O-CB 3.12Å; L236-K240 PolarHBondContact O-N 2.85Å
237L51.7Low52.3Low111 Ų111109.6 Ų109.658%0.58156%0.556SS**Hα-helixtrans-71.8-38.2174.2-165.668.9000111.2S233 A234 Q235 K240 I241S233-L237 WeakPolarHBondContact O-CB 3.41Å; S233-L237 PolarHBondContact O-N 3.32Å; A234-L237 PolarHBondContact O-N 2.96Å; Q235-L237 VanDerWaalsContact C-N 3.29Å; Q235-L237 PolarHBondContact O-N 3.46Å; L237-K240 PolarHBondContact O-N 3.5Å; L237-I241 HydrophobicContact CG-CD1 3.97Å; L237-I241 WeakPolarHBondContact O-CB 3.46Å; L237-I241 WeakPolarHBondContact O-CD1 3.17Å; L237-I241 WeakPolarHBondContact O-CG1 3.39Å; L237-I241 PolarHBondContact O-N 3.35Å
238S56.5Low51.5Low66 Ų66112.3 Ų112.346%0.46257%0.567SS.*Hα-helixtrans-68.2-39.3177.775.30000113.1A234 Q235 I241 A242A234-S238 WeakPolarHBondContact O-CB 3.49Å; A234-S238 PolarHBondContact O-N 2.95Å; A234-S238 PolarHBondContact O-OG 3.14Å; Q235-S238 WeakPolarHBondContact CA-OG 3.4Å; Q235-S238 PolarHBondContact O-N 2.89Å; Q235-S238 VanDerWaalsContact O-N 3.12Å; Q235-S238 PolarHBondContact O-OG 3.4Å; S238-I241 PolarHBondContact O-N 3.05Å; S238-A242 WeakPolarHBondContact O-CB 3.39Å; S238-A242 PolarHBondContact O-N 3.49Å
239E55.6Low50.6Low120 Ų120111.1 Ų111.156%0.56157%0.572SS**Hα-helixtrans-69.2-38.1175.2-75.7177.8169.500111.7Q235 A242 F243Q235-E239 PolarHBondContact O-N 2.92Å; E239-A242 PolarHBondContact O-N 3.05Å; E239-F243 WeakPolarHBondContact O-CB 3.31Å; E239-F243 PolarHBondContact O-N 3.41Å
240K55.1Low49.8Very low149 Ų149115.5 Ų115.565%0.64859%0.587SS**Hα-helixtrans-71-29.5173.7-82.8175.5178.4172.10113.7L236 L237 K244L236-K240 WeakPolarHBondContact O-CB 3.12Å; L236-K240 PolarHBondContact O-N 2.85Å; L237-K240 PolarHBondContact O-N 3.5Å; K240-K244 PolarHBondContact O-N 3.29Å
241I50Low49.1Very low93 Ų93112.9 Ų112.948%0.47759%0.593SS.*Hα-helixtrans-72.7-41.1171.6-69.5164.6000109.6L237 S238 F243 K244 T245L237-I241 HydrophobicContact CG-CD1 3.97Å; L237-I241 WeakPolarHBondContact O-CB 3.46Å; L237-I241 WeakPolarHBondContact O-CD1 3.17Å; L237-I241 WeakPolarHBondContact O-CG1 3.39Å; L237-I241 PolarHBondContact O-N 3.35Å; S238-I241 PolarHBondContact O-N 3.05Å; I241-F243 VanDerWaalsContact C-N 3.35Å; I241-F243 PolarHBondContact O-N 3.28Å; I241-K244 CarbonylContact O-C 3.52Å; I241-K244 PolarHBondContact O-N 2.83Å; I241-K244 VanDerWaalsContact O-N 3.14Å; I241-T245 HydrophobicContact CG2-CG2 4.03Å; I241-T245 WeakPolarHBondContact O-CG2 3.37Å; I241-T245 PolarHBondContact O-N 3.49Å; I241-T245 PolarHBondContact O-OG1 3.18Å
242A44.9Very low48Very low59 Ų59109.3 Ų109.349%0.48859%0.588SS.*Hα-helixtrans-62.2-38.7175.700000112.7S238 E239 K244 T245 S246S238-A242 WeakPolarHBondContact O-CB 3.39Å; S238-A242 PolarHBondContact O-N 3.49Å; E239-A242 PolarHBondContact O-N 3.05Å; A242-K244 VanDerWaalsContact C-N 3.29Å; A242-K244 PolarHBondContact O-N 3.3Å; A242-T245 WeakPolarHBondContact CA-OG1 3.23Å; A242-T245 PolarHBondContact O-OG1 2.8Å; A242-S246 PolarHBondContact O-N 2.75Å
243F38.6Very low47.5Very low165 Ų165111 Ų11172%0.72461%0.608SS**Hα-helixtrans-73.4-17.5176-148.4-90.1000113.4E239 I241 S246E239-F243 WeakPolarHBondContact O-CB 3.31Å; E239-F243 PolarHBondContact O-N 3.41Å; I241-F243 VanDerWaalsContact C-N 3.35Å; I241-F243 PolarHBondContact O-N 3.28Å; F243-S246 PolarHBondContact O-OG 3.28Å
244K44.3Very low47.6Very low168 Ų168115.9 Ų115.973%0.7363%0.63SS**Hα-helixtrans-100.8-17.4175.7-79.4-176.9176179.90114.1K240 I241 A242K240-K244 PolarHBondContact O-N 3.29Å; I241-K244 CarbonylContact O-C 3.52Å; I241-K244 PolarHBondContact O-N 2.83Å; I241-K244 VanDerWaalsContact O-N 3.14Å; A242-K244 VanDerWaalsContact C-N 3.29Å; A242-K244 PolarHBondContact O-N 3.3Å
245T34.1Very low47.7Very low81 Ų81116.6 Ų116.650%0.49764%0.636SS.*Hα-helixtrans-85.5-19.1175.4490000113I241 A242 D247 F248I241-T245 HydrophobicContact CG2-CG2 4.03Å; I241-T245 WeakPolarHBondContact O-CG2 3.37Å; I241-T245 PolarHBondContact O-N 3.49Å; I241-T245 PolarHBondContact O-OG1 3.18Å; A242-T245 WeakPolarHBondContact CA-OG1 3.23Å; A242-T245 PolarHBondContact O-OG1 2.8Å; T245-D247 VanDerWaalsContact C-N 3.29Å; T245-D247 PolarHBondContact O-N 3.04Å; T245-F248 PolarHBondContact O-N 3.34Å
246S38.6Very low47.8Very low64 Ų64120.7 Ų120.745%0.44865%0.652SS.*THydrogen-bonded Turntrans-66.2-29.4172.955.10000113.4A242 F243A242-S246 PolarHBondContact O-N 2.75Å; F243-S246 PolarHBondContact O-OG 3.28Å
247D39Very low48.4Very low141 Ų141121.4 Ų121.475%0.75466%0.662SS**THydrogen-bonded Turntrans-95.4-7.6-179.4-69.9-22.3000114.1T245T245-D247 VanDerWaalsContact C-N 3.29Å; T245-D247 PolarHBondContact O-N 3.04Å
248F43Very low49.5Very low185 Ų185123.9 Ų123.981%0.81167%0.668SS**THydrogen-bonded Turntrans-105.9-0.4-175.8-144.7-97.4000115.2T245T245-F248 PolarHBondContact O-N 3.34Å
249S46.1Very low51Low94 Ų94124.6 Ų124.666%0.65767%0.67SS**SBendtrans-149.575.2175.6-53.80000112.9
250R40.8Very low52.5Low231 Ų231121.1 Ų121.187%0.87265%0.653SS**  trans-154.859.2150.2-110.2-179.3-76.5173.7-2.2110.5S252R250-S252 PolarHBondContact O-N 3.14Å
251G41.2Very low54Low75 Ų75117.3 Ų117.377%0.77364%0.642SS**  trans-64.9119.4153.700000107.8
252S43.8Very low56Low80 Ų80113 Ų11356%0.55962%0.62SS**  trans-48.1134.5174.1175.60000110.6R250 N254 A255R250-S252 PolarHBondContact O-N 3.14Å; S252-N254 PolarHBondContact O-N 2.8Å; S252-A255 PolarHBondContact O-N 3.29Å
253P54.5Low58.1Low139 Ų139119.6 Ų119.690%0.90364%0.641SS**THydrogen-bonded Turntrans-64.63.7-179.723.9-31.2000114.3
254N54.1Low60.5Low154 Ų154116.1 Ų116.182%0.82463%0.633SS**THydrogen-bonded Turntrans-125.312.7179.6-118.9-19.2000115.4S252S252-N254 PolarHBondContact O-N 2.8Å
255A56.9Low62.7Low71 Ų71110.6 Ų110.659%0.58762%0.615SS**SBendtrans-83.4117.917200000110.4S252S252-A255 PolarHBondContact O-N 3.29Å
256K60.7Low65.2Low193 Ų193109 Ų10984%0.83962%0.615SS**PPolyproline II helixtrans-49.8126.6174.1-67177.5-178.2176.60109.2K258K256-K258 PolarHBondContact O-N 3.37Å
257P66.2Low67.6Low110 Ų110111.7 Ų111.771%0.71462%0.619SS**PPolyproline II helixtrans-60.8117.7-17922.8-31000108.6V259P257-V259 PolarHBondContact O-N 3.27Å
258K75.5Confident70.1Confident163 Ų163109.1 Ų109.171%0.70961%0.608SS**  trans-65.8103.5175.6-171.1172.4-176.5174.30107.9K256 F260K256-K258 PolarHBondContact O-N 3.37Å; K258-F260 HydrophobicContact CD-CZ 4.11Å; K258-F260 HydrophobicContact CG-CE2 4.3Å; K258-F260 HydrophobicContact CG-CZ 4.09Å
259V87.3Confident72.3Confident81 Ų81102.2 Ų102.249%0.49158%0.578SS.*  trans-93.8146.7178.8-69.70000110.5P257 V268 F269P257-V259 PolarHBondContact O-N 3.27Å; V259-V268 HydrophobicContact CB-CG1 3.48Å; V259-V268 VanDerWaalsContact CB-CG1 3.48Å; V259-V268 HydrophobicContact CG1-CG1 3.78Å; V259-V268 HydrophobicContact CG2-CG1 4.05Å; V259-F269 WeakPolarHBondContact CA-O 3.29Å
260F87.3Confident74.4Confident48 Ų48103.8 Ų103.821%0.21158%0.579CS.*EExtended strand (participates in β ladder)trans-117.4112.5179.7-61.6-89.5000108.2K258 F269 H272 L275K258-F260 HydrophobicContact CD-CZ 4.11Å; K258-F260 HydrophobicContact CG-CE2 4.3Å; K258-F260 HydrophobicContact CG-CZ 4.09Å; F260-F269 HydrophobicContact CB-CB 4.46Å; F260-F269 PolarHBondContact N-O 3.17Å; F260-F269 WeakPolarHBondContact O-CB 3.5Å; F260-F269 WeakPolarHBondContact O-CD2 3.27Å; F260-F269 PolarHBondContact O-N 3.45Å; F260-H272 HydrophobicContact CD1-CB 3.98Å; F260-H272 AromaticContact CD1-CD2 3.86Å; F260-H272 HydrophobicContact CD2-CB 4.45Å; F260-H272 VanDerWaalsContact CD2-N 3.31Å; F260-H272 HydrophobicContact CE1-CB 3.73Å; F260-H272 AromaticContact CE1-CD2 3.94Å; F260-H272 HydrophobicContact CE2-CB 4.23Å; F260-H272 HydrophobicContact CG-CB 4.33Å; F260-H272 HydrophobicContact CZ-CB 3.85Å; F260-L275 HydrophobicContact CB-CB 4.25Å; F260-L275 HydrophobicContact CB-CD2 3.97Å
261T87.2Confident76.7Confident69 Ų6993.7 Ų93.742%0.42354%0.544SS..EExtended strand (participates in β ladder)trans-96.3135.7-177.4-54.40000110.1E263 K267 V268T261-E263 PolarHBondContact O-N 3.28Å; T261-K267 CarbonylContact C-O 3.59Å; T261-K267 WeakPolarHBondContact CA-O 3.1Å; T261-V268 HydrophobicContact CG2-CG2 4.28Å
262C91.4Very high78.8Confident1 Ų195.5 Ų95.51%0.00753%0.532CS..  trans-75.8120.3169.6178.80000109.8V264 G266 K267 F269 L275 H282C262-V264 PolarHBondContact O-N 3.06Å; C262-G266 WeakPolarHBondContact O-CA 3.32Å; C262-G266 PolarHBondContact O-N 3.03Å; C262-K267 PolarHBondContact N-O 3.42Å; C262-F269 HydrophobicContact CB-CE2 4.05Å; C262-L275 HydrophobicContact CB-CD1 3.59Å; C262-H282 PolarHBondContact SG-NE2 3.15Å
263E88.7Confident80.8Confident198 Ų19898.8 Ų98.893%0.92553%0.534SS*.THydrogen-bonded Turntrans-64.3-26.6-179.9-64.6172.2-176.500112.9T261T261-E263 PolarHBondContact O-N 3.28Å
264V89.8Confident82.4Confident93 Ų9393.1 Ų93.156%0.56450%0.496SS*.THydrogen-bonded Turntrans-82.8-33.7-176.1-173.10000112.9C262 H282C262-V264 PolarHBondContact O-N 3.06Å; V264-H282 HydrophobicContact CG1-CB 4.17Å; V264-H282 VanDerWaalsContact CG1-ND1 3.34Å; V264-H282 WeakPolarHBondContact CG1-ND1 3.46Å; V264-H282 HydrophobicContact CG2-CB 4.48Å
265C90.2Very high84Confident51 Ų5187 Ų8735%0.34546%0.463SS..THydrogen-bonded Turntrans-129.96.7-176.868.40000115.5K267 H278 H282C265-K267 PolarHBondContact O-N 3.41Å; C265-K267 VanDerWaalsContact O-N 3.08Å; C265-K267 VanDerWaalsContact SG-CG 3.55Å; C265-H278 PolarHBondContact SG-NE2 3.31Å; C265-H282 PolarHBondContact SG-NE2 2.95Å
266G87.6Confident85.4Confident49 Ų4987.1 Ų87.151%0.50546%0.457SS..  trans66.17.4179.100000114.8C262 V268C262-G266 WeakPolarHBondContact O-CA 3.32Å; C262-G266 PolarHBondContact O-N 3.03Å; G266-V268 PolarHBondContact O-N 2.86Å
267K88.5Confident86.7Confident119 Ų11983.5 Ų83.552%0.51744%0.438SS..  trans-70.9130.4-179.1-75.1-179-174.9177.60111T261 C262 C265 F269T261-K267 CarbonylContact C-O 3.59Å; T261-K267 WeakPolarHBondContact CA-O 3.1Å; C262-K267 PolarHBondContact N-O 3.42Å; C265-K267 PolarHBondContact O-N 3.41Å; C265-K267 VanDerWaalsContact O-N 3.08Å; C265-K267 VanDerWaalsContact SG-CG 3.55Å; K267-F269 HydrophobicContact CB-CE2 3.8Å; K267-F269 HydrophobicContact CB-CZ 3.92Å; K267-F269 WeakPolarHBondContact O-CD2 3.35Å; K267-F269 WeakPolarHBondContact O-CE2 3.23Å
268V90.3Very high87.8Confident87 Ų8779.2 Ų79.253%0.52741%0.408SS..EExtended strand (participates in β ladder)trans-95.4131.2-178.8-171.60000110V259 T261 G266V259-V268 HydrophobicContact CB-CG1 3.48Å; V259-V268 VanDerWaalsContact CB-CG1 3.48Å; V259-V268 HydrophobicContact CG1-CG1 3.78Å; V259-V268 HydrophobicContact CG2-CG1 4.05Å; T261-V268 HydrophobicContact CG2-CG2 4.28Å; G266-V268 PolarHBondContact O-N 2.86Å
269F90.3Very high88.3Confident41 Ų4174.9 Ų74.918%0.1839%0.391CS..EExtended strand (participates in β ladder)trans-118.5144.9178.7-60.6-83000110.2V259 F260 C262 K267 A271 N274 L275 H278V259-F269 WeakPolarHBondContact CA-O 3.29Å; F260-F269 HydrophobicContact CB-CB 4.46Å; F260-F269 PolarHBondContact N-O 3.17Å; F260-F269 WeakPolarHBondContact O-CB 3.5Å; F260-F269 WeakPolarHBondContact O-CD2 3.27Å; F260-F269 PolarHBondContact O-N 3.45Å; C262-F269 HydrophobicContact CB-CE2 4.05Å; K267-F269 HydrophobicContact CB-CE2 3.8Å; K267-F269 HydrophobicContact CB-CZ 3.92Å; K267-F269 WeakPolarHBondContact O-CD2 3.35Å; K267-F269 WeakPolarHBondContact O-CE2 3.23Å; F269-A271 PolarHBondContact O-N 3.49Å; F269-N274 HydrophobicContact CB-CB 4.07Å; F269-N274 HydrophobicContact CD1-CB 3.85Å; F269-N274 HydrophobicContact CG-CB 4.23Å; F269-L275 HydrophobicContact CB-CB 4.46Å; F269-L275 HydrophobicContact CD2-CB 3.95Å; F269-L275 HydrophobicContact CD2-CD1 3.81Å; F269-L275 HydrophobicContact CD2-CG 4.48Å; F269-L275 HydrophobicContact CE2-CD1 3.88Å; F269-L275 HydrophobicContact CG-CB 4.33Å; F269-H278 HydrophobicContact CE1-CB 4.06Å; F269-H278 HydrophobicContact CE2-CB 4.03Å; F269-H278 AromaticContact CE2-CD2 3.57Å; F269-H278 AromaticContact CE2-CG 3.82Å; F269-H278 HydrophobicContact CZ-CB 3.53Å; F269-H278 AromaticContact CZ-CD2 3.48Å; F269-H278 VanDerWaalsContact CZ-CD2 3.48Å; F269-H278 WeakPolarHBondContact CZ-CD2 3.49Å; F269-H278 AromaticContact CZ-CG 3.29Å; F269-H278 AromaticContact CZ-ND1 3.78Å
270N89.4Confident88.4Confident127 Ų12772 Ų7268%0.67937%0.374SS*.SBendtrans-80.2-3177.164.5-8.7000113.8N274N270-N274 PolarHBondContact OD1-ND2 2.8Å
271A89.1Confident88.5Confident18 Ų1872.5 Ų72.515%0.14938%0.381CS..SBendtrans-155.3145.8-17900000112.2F269 Y273 N274 L275F269-A271 PolarHBondContact O-N 3.49Å; A271-Y273 VanDerWaalsContact C-N 3.33Å; A271-Y273 HydrophobicContact CB-CD1 3.47Å; A271-Y273 VanDerWaalsContact CB-CD1 3.47Å; A271-Y273 HydrophobicContact CB-CE1 3.23Å; A271-Y273 HydrophobicContact CB-CG 4.44Å; A271-Y273 PolarHBondContact O-N 3.36Å; A271-N274 WeakPolarHBondContact O-CB 3.05Å; A271-N274 PolarHBondContact O-N 3.44Å; A271-N274 VanDerWaalsContact O-N 3.1Å; A271-L275 PolarHBondContact O-N 3.41Å
272H86.1Confident88.5Confident113 Ų11372.5 Ų72.552%0.52338%0.376SS..Hα-helixtrans-61-38.1-179.9-173.3-94.8000113.1F260 N274 L275 T276F260-H272 HydrophobicContact CD1-CB 3.98Å; F260-H272 AromaticContact CD1-CD2 3.86Å; F260-H272 HydrophobicContact CD2-CB 4.45Å; F260-H272 VanDerWaalsContact CD2-N 3.31Å; F260-H272 HydrophobicContact CE1-CB 3.73Å; F260-H272 AromaticContact CE1-CD2 3.94Å; F260-H272 HydrophobicContact CE2-CB 4.23Å; F260-H272 HydrophobicContact CG-CB 4.33Å; F260-H272 HydrophobicContact CZ-CB 3.85Å; H272-N274 PolarHBondContact O-N 3.14Å; H272-L275 PolarHBondContact O-N 2.94Å; H272-T276 PolarHBondContact CE1-OG1 3.44Å; H272-T276 PolarHBondContact ND1-OG1 3.01Å; H272-T276 PolarHBondContact O-N 3.46Å; H272-T276 PolarHBondContact O-OG1 3.35Å
273Y86Confident88.2Confident149 Ų14977.2 Ų77.258%0.58441%0.405SS*.Hα-helixtrans-63.8-30.6177.677-95000112.2A271 R277A271-Y273 VanDerWaalsContact C-N 3.33Å; A271-Y273 HydrophobicContact CB-CD1 3.47Å; A271-Y273 VanDerWaalsContact CB-CD1 3.47Å; A271-Y273 HydrophobicContact CB-CE1 3.23Å; A271-Y273 HydrophobicContact CB-CG 4.44Å; A271-Y273 PolarHBondContact O-N 3.36Å; Y273-R277 VanDerWaalsContact O-CB 3.29Å; Y273-R277 WeakPolarHBondContact O-CB 3.37Å; Y273-R277 PolarHBondContact O-N 2.93Å
274N88.1Confident88.1Confident21 Ų2169.8 Ų69.811%0.11238%0.382CS..Hα-helixtrans-70.3-41.6176.1-79-39.8000111.3F269 N270 A271 H272 R277 H278F269-N274 HydrophobicContact CB-CB 4.07Å; F269-N274 HydrophobicContact CD1-CB 3.85Å; F269-N274 HydrophobicContact CG-CB 4.23Å; N270-N274 PolarHBondContact OD1-ND2 2.8Å; A271-N274 WeakPolarHBondContact O-CB 3.05Å; A271-N274 PolarHBondContact O-N 3.44Å; A271-N274 VanDerWaalsContact O-N 3.1Å; H272-N274 PolarHBondContact O-N 3.14Å; N274-R277 PolarHBondContact O-N 3.11Å; N274-R277 PolarHBondContact OD1-NH2 2.7Å; N274-H278 WeakPolarHBondContact O-CB 3.41Å; N274-H278 PolarHBondContact O-N 3.41Å
275L88.2Confident88Confident25 Ų2567.5 Ų67.513%0.13137%0.372CS..Hα-helixtrans-61.8-47.4172.217660.9000110.9F260 C262 F269 A271 H272 R277 H278 M279F260-L275 HydrophobicContact CB-CB 4.25Å; F260-L275 HydrophobicContact CB-CD2 3.97Å; C262-L275 HydrophobicContact CB-CD1 3.59Å; F269-L275 HydrophobicContact CB-CB 4.46Å; F269-L275 HydrophobicContact CD2-CB 3.95Å; F269-L275 HydrophobicContact CD2-CD1 3.81Å; F269-L275 HydrophobicContact CD2-CG 4.48Å; F269-L275 HydrophobicContact CE2-CD1 3.88Å; F269-L275 HydrophobicContact CG-CB 4.33Å; A271-L275 PolarHBondContact O-N 3.41Å; H272-L275 PolarHBondContact O-N 2.94Å; L275-R277 VanDerWaalsContact C-N 3.31Å; L275-R277 PolarHBondContact O-N 3.21Å; L275-H278 CarbonylContact O-C 3.53Å; L275-H278 WeakPolarHBondContact O-CA 3.46Å; L275-H278 VanDerWaalsContact O-CB 3.27Å; L275-H278 WeakPolarHBondContact O-CB 3.28Å; L275-H278 PolarHBondContact O-N 3.47Å; L275-M279 HydrophobicContact CD1-SD 3.94Å; L275-M279 HydrophobicContact CG-SD 4.45Å; L275-M279 WeakPolarHBondContact O-CG 3.17Å; L275-M279 PolarHBondContact O-N 3.32Å
276T86.1Confident87.9Confident74 Ų7471.1 Ų71.145%0.45438%0.379SS..Hα-helixtrans-57.4-44.4177.8-55.40000111.5H272 H278 M279 P280H272-T276 PolarHBondContact CE1-OG1 3.44Å; H272-T276 PolarHBondContact ND1-OG1 3.01Å; H272-T276 PolarHBondContact O-N 3.46Å; H272-T276 PolarHBondContact O-OG1 3.35Å; T276-H278 PolarHBondContact O-N 3.07Å; T276-M279 PolarHBondContact O-N 3.3Å; T276-P280 VanDerWaalsContact O-CD 3.29Å; T276-P280 WeakPolarHBondContact O-CD 3.46Å
277R87.5Confident87.8Confident117 Ų11773 Ų7344%0.44238%0.382SS..Hα-helixtrans-68.5-20.9175.8-17517266.3174.5-4.5113.4Y273 N274 L275 Q299Y273-R277 VanDerWaalsContact O-CB 3.29Å; Y273-R277 WeakPolarHBondContact O-CB 3.37Å; Y273-R277 PolarHBondContact O-N 2.93Å; N274-R277 PolarHBondContact O-N 3.11Å; N274-R277 PolarHBondContact OD1-NH2 2.7Å; L275-R277 VanDerWaalsContact C-N 3.31Å; L275-R277 PolarHBondContact O-N 3.21Å; R277-Q299 VanDerWaalsContact CD-NE2 3.3Å; R277-Q299 HydrophobicContact CG-CG 3.96Å; R277-Q299 VanDerWaalsContact CG-NE2 3.29Å
278H88.2Confident87.9Confident19 Ų1971 Ų719%0.08837%0.373CS..Hα-helixtrans-82.6-32.9176.4175.466.2000112.5C265 F269 N274 L275 T276 P280 V281 H282C265-H278 PolarHBondContact SG-NE2 3.31Å; F269-H278 HydrophobicContact CE1-CB 4.06Å; F269-H278 HydrophobicContact CE2-CB 4.03Å; F269-H278 AromaticContact CE2-CD2 3.57Å; F269-H278 AromaticContact CE2-CG 3.82Å; F269-H278 HydrophobicContact CZ-CB 3.53Å; F269-H278 AromaticContact CZ-CD2 3.48Å; F269-H278 VanDerWaalsContact CZ-CD2 3.48Å; F269-H278 WeakPolarHBondContact CZ-CD2 3.49Å; F269-H278 AromaticContact CZ-CG 3.29Å; F269-H278 AromaticContact CZ-ND1 3.78Å; N274-H278 WeakPolarHBondContact O-CB 3.41Å; N274-H278 PolarHBondContact O-N 3.41Å; L275-H278 CarbonylContact O-C 3.53Å; L275-H278 WeakPolarHBondContact O-CA 3.46Å; L275-H278 VanDerWaalsContact O-CB 3.27Å; L275-H278 WeakPolarHBondContact O-CB 3.28Å; L275-H278 PolarHBondContact O-N 3.47Å; T276-H278 PolarHBondContact O-N 3.07Å; H278-P280 VanDerWaalsContact C-N 3.33Å; H278-P280 VanDerWaalsContact O-N 3.16Å; H278-V281 WeakPolarHBondContact O-CB 3.38Å; H278-V281 WeakPolarHBondContact O-CG2 3.31Å; H278-V281 PolarHBondContact O-N 2.82Å; H278-H282 AromaticContact CD2-NE2 3.94Å; H278-H282 AromaticContact CE1-NE2 3.83Å; H278-H282 AromaticContact NE2-CD2 3.86Å; H278-H282 AromaticContact NE2-NE2 3.15Å; H278-H282 PolarHBondContact NE2-NE2 3.11Å; H278-H282 VanDerWaalsContact NE2-NE2 3.15Å
279M87.2Confident87.9Confident72 Ų7270.6 Ų70.636%0.35537%0.371SS..THydrogen-bonded Turntrans-51.3-38.1-178-62.5-49.5-70.200115.7L275 T276 V281 H282 T283L275-M279 HydrophobicContact CD1-SD 3.94Å; L275-M279 HydrophobicContact CG-SD 4.45Å; L275-M279 WeakPolarHBondContact O-CG 3.17Å; L275-M279 PolarHBondContact O-N 3.32Å; T276-M279 PolarHBondContact O-N 3.3Å; M279-V281 PolarHBondContact O-N 3.27Å; M279-H282 PolarHBondContact O-N 3.25Å; M279-T283 PolarHBondContact O-N 3.42Å
280P90.1Very high88Confident20 Ų2068.7 Ų68.713%0.1336%0.363CS..Hα-helixtrans-58.9-12.5173.6-26.235.5000115T276 H278 G284 A285 R298T276-P280 VanDerWaalsContact O-CD 3.29Å; T276-P280 WeakPolarHBondContact O-CD 3.46Å; H278-P280 VanDerWaalsContact C-N 3.33Å; H278-P280 VanDerWaalsContact O-N 3.16Å; P280-G284 PolarHBondContact O-N 3.22Å; P280-A285 HydrophobicContact CB-CB 4.48Å; P280-A285 WeakPolarHBondContact CB-O 3.27Å; P280-R298 HydrophobicContact CB-CB 4.17Å; P280-R298 HydrophobicContact CB-CG 3.93Å; P280-R298 PolarHBondContact O-NE 2.96Å
281V88.3Confident88.1Confident59 Ų5972.8 Ų72.836%0.35837%0.374SS..Hα-helixtrans-66.8-39.1172.6179.90000111.7H278 M279 R298H278-V281 WeakPolarHBondContact O-CB 3.38Å; H278-V281 WeakPolarHBondContact O-CG2 3.31Å; H278-V281 PolarHBondContact O-N 2.82Å; M279-V281 PolarHBondContact O-N 3.27Å; V281-R298 VanDerWaalsContact CA-CZ 3.46Å; V281-R298 PolarHBondContact O-NH2 3.06Å
282H87.4Confident88.1Confident69 Ų6977 Ų7732%0.31940%0.398SS..Hα-helixtrans-85.3-44.2-176.8-65.7-58.6000112.4C262 V264 C265 H278 M279 G284C262-H282 PolarHBondContact SG-NE2 3.15Å; V264-H282 HydrophobicContact CG1-CB 4.17Å; V264-H282 VanDerWaalsContact CG1-ND1 3.34Å; V264-H282 WeakPolarHBondContact CG1-ND1 3.46Å; V264-H282 HydrophobicContact CG2-CB 4.48Å; C265-H282 PolarHBondContact SG-NE2 2.95Å; H278-H282 AromaticContact CD2-NE2 3.94Å; H278-H282 AromaticContact CE1-NE2 3.83Å; H278-H282 AromaticContact NE2-CD2 3.86Å; H278-H282 AromaticContact NE2-NE2 3.15Å; H278-H282 PolarHBondContact NE2-NE2 3.11Å; H278-H282 VanDerWaalsContact NE2-NE2 3.15Å; M279-H282 PolarHBondContact O-N 3.25Å; H282-G284 PolarHBondContact O-N 3.36Å
283T85.8Confident88.3Confident101 Ų10173.8 Ų73.862%0.6239%0.388SS*.Hα-helixtrans-75.5-11.5-178.8600000113.1M279 A285M279-T283 PolarHBondContact O-N 3.42Å; T283-A285 PolarHBondContact O-N 3.49Å; T283-A285 VanDerWaalsContact O-N 3.07Å; T283-A285 VanDerWaalsContact OG1-CB 3.28Å; T283-A285 WeakPolarHBondContact OG1-CB 3.44Å; T283-A285 PolarHBondContact OG1-N 3.47Å
284G85.8Confident88.4Confident42 Ų4269.3 Ų69.343%0.43339%0.387SS..  trans681.2-171.400000113.7P280 H282 R286P280-G284 PolarHBondContact O-N 3.22Å; H282-G284 PolarHBondContact O-N 3.36Å; G284-R286 PolarHBondContact O-N 3.33Å
285A87.3Confident88.5Confident45 Ų4571.3 Ų71.337%0.37240%0.395SS..  trans-57.7134.4-177.200000111.1P280 T283 P287P280-A285 HydrophobicContact CB-CB 4.48Å; P280-A285 WeakPolarHBondContact CB-O 3.27Å; T283-A285 PolarHBondContact O-N 3.49Å; T283-A285 VanDerWaalsContact O-N 3.07Å; T283-A285 VanDerWaalsContact OG1-CB 3.28Å; T283-A285 WeakPolarHBondContact OG1-CB 3.44Å; T283-A285 PolarHBondContact OG1-N 3.47Å; A285-P287 VanDerWaalsContact C-CD 3.49Å
286R88.2Confident88.6Confident127 Ų12770.8 Ų70.848%0.47940%0.395SS..  trans-128.570.9179.9-77172.2166.6-176.50.3109.4G284 F288 G296 F297G284-R286 PolarHBondContact O-N 3.33Å; R286-F288 PolarHBondContact O-N 3.28Å; R286-F288 VanDerWaalsContact O-N 3.11Å; R286-G296 VanDerWaalsContact CD-O 3.29Å; R286-G296 WeakPolarHBondContact CD-O 3.34Å; R286-G296 PolarHBondContact NE-O 3.47Å; R286-F297 CarbonylContact C-O 3.53Å; R286-F297 VanDerWaalsContact C-O 3.27Å; R286-F297 WeakPolarHBondContact CA-O 3.42Å
287P86.1Confident88.8Confident87 Ų8769.3 Ų69.357%0.56538%0.383SS*.  trans-63.6-19.4-172.222.7-31.9000113.8A285A285-P287 VanDerWaalsContact C-CD 3.49Å
288F90.4Very high88.9Confident78 Ų7868.3 Ų68.334%0.34238%0.379SS..EExtended strand (participates in β ladder)trans-105.699.4-177.4-57.1-77.1000110.7R286 G296 F297 Q299 A300 L303R286-F288 PolarHBondContact O-N 3.28Å; R286-F288 VanDerWaalsContact O-N 3.11Å; F288-G296 CarbonylContact O-C 3.5Å; F288-F297 HydrophobicContact CB-CB 4.2Å; F288-F297 PolarHBondContact N-O 3.08Å; F288-F297 WeakPolarHBondContact O-CA 3.48Å; F288-F297 WeakPolarHBondContact O-CB 3.44Å; F288-F297 WeakPolarHBondContact O-CD2 3.15Å; F288-F297 PolarHBondContact O-N 3.23Å; F288-Q299 VanDerWaalsContact CD2-CA 3.47Å; F288-A300 HydrophobicContact CD1-CB 3.83Å; F288-A300 VanDerWaalsContact CD2-N 3.3Å; F288-A300 HydrophobicContact CE1-CB 3.62Å; F288-A300 HydrophobicContact CE2-CB 4.45Å; F288-A300 HydrophobicContact CG-CB 4.34Å; F288-A300 HydrophobicContact CZ-CB 3.95Å; F288-L303 HydrophobicContact CB-CB 4.08Å; F288-L303 HydrophobicContact CB-CD2 3.85Å
289V91.1Very high88.9Confident78 Ų7870 Ų7047%0.47339%0.387SS..EExtended strand (participates in β ladder)trans-99135-177.5-176.20000111.6K291 G294V289-K291 PolarHBondContact O-N 2.99Å; V289-G294 WeakPolarHBondContact CG1-O 3.48Å
290C92.6Very high88.9Confident1 Ų169.1 Ų69.11%0.00739%0.391CS..  trans-74.8118.1170.7-174.80000109.8V292 G294 K295 F297 L303 H310C290-V292 PolarHBondContact O-N 2.96Å; C290-G294 WeakPolarHBondContact O-CA 3.42Å; C290-G294 PolarHBondContact O-N 3.14Å; C290-K295 WeakPolarHBondContact CB-O 3.26Å; C290-K295 PolarHBondContact N-O 2.84Å; C290-F297 HydrophobicContact CB-CE2 4.13Å; C290-L303 HydrophobicContact CB-CD1 3.62Å; C290-H310 PolarHBondContact SG-NE2 3.35Å; C290-H310 VanDerWaalsContact SG-NE2 3.41Å
291K90.3Very high88.7Confident213 Ų21371.7 Ų71.793%0.92641%0.41SS*.THydrogen-bonded Turntrans-65.5-23.7178.1-63.3-173.5178.3-177.30113.5V289V289-K291 PolarHBondContact O-N 2.99Å
292V89.4Confident88.7Confident108 Ų10870.2 Ų70.266%0.65540%0.401SS*.THydrogen-bonded Turntrans-80.6-39.9-176.5-177.40000112.3C290 H310C290-V292 PolarHBondContact O-N 2.96Å; V292-H310 HydrophobicContact CG1-CB 4.34Å
293C90Very high88.9Confident44 Ų4467.9 Ų67.930%0.29739%0.391SS..THydrogen-bonded Turntrans-1258.8-176.366.30000114.5K295 H306 H310C293-K295 PolarHBondContact O-N 2.95Å; C293-K295 VanDerWaalsContact SG-CG 3.6Å; C293-H306 PolarHBondContact SG-NE2 3.14Å; C293-H310 PolarHBondContact SG-NE2 2.87Å
294G88Confident88.9Confident55 Ų5564.9 Ų64.957%0.56737%0.373SS*.  trans66.83-179.200000115V289 C290 G296V289-G294 WeakPolarHBondContact CG1-O 3.48Å; C290-G294 WeakPolarHBondContact O-CA 3.42Å; C290-G294 PolarHBondContact O-N 3.14Å; G294-G296 PolarHBondContact O-N 3.21Å
295K89.9Confident88.9Confident64 Ų6468.4 Ų68.428%0.27837%0.373SS..  trans-73.1122.7-175.4-72.8-172.9175.3-161.30112I71 C290 C293 F297I71-K295 PolarHBondContact O-NZ 3.34Å; C290-K295 WeakPolarHBondContact CB-O 3.26Å; C290-K295 PolarHBondContact N-O 2.84Å; C293-K295 PolarHBondContact O-N 2.95Å; C293-K295 VanDerWaalsContact SG-CG 3.6Å; K295-F297 HydrophobicContact CB-CE2 3.91Å; K295-F297 HydrophobicContact CB-CZ 4.11Å; K295-F297 VanDerWaalsContact O-CD2 3.26Å; K295-F297 WeakPolarHBondContact O-CD2 3.47Å; K295-F297 WeakPolarHBondContact O-CE2 3.33Å
296G90.8Very high89Confident14 Ų1467.3 Ų67.314%0.14436%0.36CS..EExtended strand (participates in β ladder)trans-82.9142174.200000114R286 F288 G294R286-G296 VanDerWaalsContact CD-O 3.29Å; R286-G296 WeakPolarHBondContact CD-O 3.34Å; R286-G296 PolarHBondContact NE-O 3.47Å; F288-G296 CarbonylContact O-C 3.5Å; G294-G296 PolarHBondContact O-N 3.21Å
297F90.1Very high88.9Confident43 Ų4365.6 Ų65.619%0.18936%0.356CS..EExtended strand (participates in β ladder)trans-128151.4179.3-62.6-88000111R286 F288 C290 K295 L303 H306R286-F297 CarbonylContact C-O 3.53Å; R286-F297 VanDerWaalsContact C-O 3.27Å; R286-F297 WeakPolarHBondContact CA-O 3.42Å; F288-F297 HydrophobicContact CB-CB 4.2Å; F288-F297 PolarHBondContact N-O 3.08Å; F288-F297 WeakPolarHBondContact O-CA 3.48Å; F288-F297 WeakPolarHBondContact O-CB 3.44Å; F288-F297 WeakPolarHBondContact O-CD2 3.15Å; F288-F297 PolarHBondContact O-N 3.23Å; C290-F297 HydrophobicContact CB-CE2 4.13Å; K295-F297 HydrophobicContact CB-CE2 3.91Å; K295-F297 HydrophobicContact CB-CZ 4.11Å; K295-F297 VanDerWaalsContact O-CD2 3.26Å; K295-F297 WeakPolarHBondContact O-CD2 3.47Å; K295-F297 WeakPolarHBondContact O-CE2 3.33Å; F297-L303 HydrophobicContact CB-CB 4.23Å; F297-L303 HydrophobicContact CD2-CB 3.93Å; F297-L303 HydrophobicContact CD2-CD1 3.62Å; F297-L303 HydrophobicContact CD2-CG 4.35Å; F297-L303 HydrophobicContact CE2-CD1 3.8Å; F297-L303 HydrophobicContact CG-CB 4.18Å; F297-H306 HydrophobicContact CE1-CB 3.85Å; F297-H306 AromaticContact CE1-CG 3.99Å; F297-H306 HydrophobicContact CE2-CB 3.95Å; F297-H306 AromaticContact CE2-CD2 3.34Å; F297-H306 WeakPolarHBondContact CE2-CD2 3.39Å; F297-H306 AromaticContact CE2-CG 3.63Å; F297-H306 AromaticContact CE2-NE2 3.93Å; F297-H306 HydrophobicContact CZ-CB 3.44Å; F297-H306 VanDerWaalsContact CZ-CB 3.44Å; F297-H306 AromaticContact CZ-CD2 3.33Å; F297-H306 WeakPolarHBondContact CZ-CD2 3.47Å; F297-H306 AromaticContact CZ-CE1 3.97Å; F297-H306 AromaticContact CZ-CG 3.14Å; F297-H306 AromaticContact CZ-ND1 3.58Å; F297-H306 AromaticContact CZ-NE2 3.82Å
298R89.3Confident88.9Confident95 Ų9563 Ų6336%0.35834%0.337SS..SBendtrans-80.2-20178.4-68.1177.6176.3155.7-1.6113.3P280 V281P280-R298 HydrophobicContact CB-CB 4.17Å; P280-R298 HydrophobicContact CB-CG 3.93Å; P280-R298 PolarHBondContact O-NE 2.96Å; V281-R298 VanDerWaalsContact CA-CZ 3.46Å; V281-R298 PolarHBondContact O-NH2 3.06Å
299Q88.6Confident88.7Confident55 Ų5562.6 Ų62.626%0.25734%0.338SS..SBendtrans-137.9141.5-175.9-60.7176.29.900111.3R277 F288 S301 T302 L303R277-Q299 VanDerWaalsContact CD-NE2 3.3Å; R277-Q299 HydrophobicContact CG-CG 3.96Å; R277-Q299 VanDerWaalsContact CG-NE2 3.29Å; F288-Q299 VanDerWaalsContact CD2-CA 3.47Å; Q299-S301 VanDerWaalsContact C-N 3.31Å; Q299-S301 PolarHBondContact O-N 3.37Å; Q299-T302 HydrophobicContact CB-CG2 4.1Å; Q299-T302 PolarHBondContact N-OG1 3.13Å; Q299-T302 PolarHBondContact O-N 2.66Å; Q299-T302 VanDerWaalsContact O-N 3.13Å; Q299-T302 PolarHBondContact O-OG1 3.15Å; Q299-L303 PolarHBondContact O-N 3.08Å; Q299-L303 VanDerWaalsContact O-N 3.15Å
300A86.6Confident88.5Confident53 Ų5361.5 Ų61.544%0.43833%0.328SS..Hα-helixtrans-57.6-42.1175.800000112.4F288 T302 L303 C304F288-A300 HydrophobicContact CD1-CB 3.83Å; F288-A300 VanDerWaalsContact CD2-N 3.3Å; F288-A300 HydrophobicContact CE1-CB 3.62Å; F288-A300 HydrophobicContact CE2-CB 4.45Å; F288-A300 HydrophobicContact CG-CB 4.34Å; F288-A300 HydrophobicContact CZ-CB 3.95Å; A300-T302 VanDerWaalsContact C-N 3.27Å; A300-T302 PolarHBondContact O-N 3.49Å; A300-L303 CarbonylContact O-C 3.58Å; A300-L303 WeakPolarHBondContact O-CB 3.29Å; A300-L303 PolarHBondContact O-N 2.84Å; A300-L303 VanDerWaalsContact O-N 3.08Å; A300-C304 PolarHBondContact O-N 3.15Å
301S87.4Confident87.9Confident75 Ų7564.7 Ų64.752%0.52435%0.347SS..Hα-helixtrans-59.4-38.1177.559.40000112.4Q299 R305Q299-S301 VanDerWaalsContact C-N 3.31Å; Q299-S301 PolarHBondContact O-N 3.37Å; S301-R305 WeakPolarHBondContact O-CB 3.35Å; S301-R305 PolarHBondContact O-N 3.01Å
302T88.5Confident87.4Confident28 Ų2860.1 Ų60.117%0.17233%0.329CS..Hα-helixtrans-71.1-33.2176.9600000112.4Q299 A300 H306Q299-T302 HydrophobicContact CB-CG2 4.1Å; Q299-T302 PolarHBondContact N-OG1 3.13Å; Q299-T302 PolarHBondContact O-N 2.66Å; Q299-T302 VanDerWaalsContact O-N 3.13Å; Q299-T302 PolarHBondContact O-OG1 3.15Å; A300-T302 VanDerWaalsContact C-N 3.27Å; A300-T302 PolarHBondContact O-N 3.49Å; T302-H306 WeakPolarHBondContact O-CB 3.28Å; T302-H306 PolarHBondContact O-N 2.95Å
303L90.8Very high86.9Confident20 Ų2060.4 Ų60.411%0.10532%0.324CS..Hα-helixtrans-69.1-48.4171.9173.462.4000111.6F288 C290 F297 Q299 A300 R305 H306 K307F288-L303 HydrophobicContact CB-CB 4.08Å; F288-L303 HydrophobicContact CB-CD2 3.85Å; C290-L303 HydrophobicContact CB-CD1 3.62Å; F297-L303 HydrophobicContact CB-CB 4.23Å; F297-L303 HydrophobicContact CD2-CB 3.93Å; F297-L303 HydrophobicContact CD2-CD1 3.62Å; F297-L303 HydrophobicContact CD2-CG 4.35Å; F297-L303 HydrophobicContact CE2-CD1 3.8Å; F297-L303 HydrophobicContact CG-CB 4.18Å; Q299-L303 PolarHBondContact O-N 3.08Å; Q299-L303 VanDerWaalsContact O-N 3.15Å; A300-L303 CarbonylContact O-C 3.58Å; A300-L303 WeakPolarHBondContact O-CB 3.29Å; A300-L303 PolarHBondContact O-N 2.84Å; A300-L303 VanDerWaalsContact O-N 3.08Å; L303-R305 VanDerWaalsContact C-N 3.29Å; L303-R305 PolarHBondContact O-N 2.98Å; L303-H306 WeakPolarHBondContact O-CA 3.5Å; L303-H306 WeakPolarHBondContact O-CB 3.46Å; L303-H306 PolarHBondContact O-N 3.38Å; L303-K307 HydrophobicContact CD1-CG 4.48Å; L303-K307 WeakPolarHBondContact O-CG 3.48Å; L303-K307 PolarHBondContact O-N 2.98Å
304C86.8Confident86.5Confident37 Ų3763.6 Ų63.625%0.2533%0.332CS..Hα-helixtrans-58.4-43.9177.9-179.80000110.4C123 A300 H306 K307C123-C304 WeakPolarHBondContact CB-SG 3.28Å; C123-C304 WeakPolarHBondContact SG-CB 3.21Å; C123-C304 CovalentContact SG-SG 2.08Å; C123-C304 PolarHBondContact SG-SG 3.32Å; A300-C304 PolarHBondContact O-N 3.15Å; C304-H306 VanDerWaalsContact C-N 3.3Å; C304-H306 PolarHBondContact O-N 3.46Å; C304-K307 WeakPolarHBondContact O-CB 3.46Å; C304-K307 PolarHBondContact O-N 2.94Å
305R85.6Confident86.2Confident116 Ų11664.7 Ų64.744%0.43833%0.33SS..Hα-helixtrans-61-37.3173.4-177.2176.763.5-161.1-2.5113.2S301 L303 K307 I308S301-R305 WeakPolarHBondContact O-CB 3.35Å; S301-R305 PolarHBondContact O-N 3.01Å; L303-R305 VanDerWaalsContact C-N 3.29Å; L303-R305 PolarHBondContact O-N 2.98Å; R305-K307 VanDerWaalsContact C-N 3.34Å; R305-I308 WeakPolarHBondContact O-CB 3.3Å
306H88.9Confident86.1Confident22 Ų2264 Ų6410%0.10233%0.327CS..Hα-helixtrans-67.1-35.8178.1168.170.5000112.3C293 F297 T302 L303 C304 I308 I309 H310C293-H306 PolarHBondContact SG-NE2 3.14Å; F297-H306 HydrophobicContact CE1-CB 3.85Å; F297-H306 AromaticContact CE1-CG 3.99Å; F297-H306 HydrophobicContact CE2-CB 3.95Å; F297-H306 AromaticContact CE2-CD2 3.34Å; F297-H306 WeakPolarHBondContact CE2-CD2 3.39Å; F297-H306 AromaticContact CE2-CG 3.63Å; F297-H306 AromaticContact CE2-NE2 3.93Å; F297-H306 HydrophobicContact CZ-CB 3.44Å; F297-H306 VanDerWaalsContact CZ-CB 3.44Å; F297-H306 AromaticContact CZ-CD2 3.33Å; F297-H306 WeakPolarHBondContact CZ-CD2 3.47Å; F297-H306 AromaticContact CZ-CE1 3.97Å; F297-H306 AromaticContact CZ-CG 3.14Å; F297-H306 AromaticContact CZ-ND1 3.58Å; F297-H306 AromaticContact CZ-NE2 3.82Å; T302-H306 WeakPolarHBondContact O-CB 3.28Å; T302-H306 PolarHBondContact O-N 2.95Å; L303-H306 WeakPolarHBondContact O-CA 3.5Å; L303-H306 WeakPolarHBondContact O-CB 3.46Å; L303-H306 PolarHBondContact O-N 3.38Å; C304-H306 VanDerWaalsContact C-N 3.3Å; C304-H306 PolarHBondContact O-N 3.46Å; H306-I308 PolarHBondContact O-N 3.44Å; H306-I308 VanDerWaalsContact O-N 3.14Å; H306-I309 VanDerWaalsContact O-CB 3.3Å; H306-I309 WeakPolarHBondContact O-CB 3.43Å; H306-I309 WeakPolarHBondContact O-CG1 3.49Å; H306-I309 PolarHBondContact O-N 3.43Å; H306-H310 AromaticContact CE1-NE2 3.72Å; H306-H310 AromaticContact NE2-CD2 3.97Å; H306-H310 AromaticContact NE2-NE2 3.21Å; H306-H310 PolarHBondContact NE2-NE2 3.18Å
307K86.7Confident85.9Confident91 Ų9170.1 Ų70.140%0.39635%0.35SS..Hα-helixtrans-56.2-30.7178.4-70.2-178.8177.9-174.70113L303 C304 R305 I309 H310 T311L303-K307 HydrophobicContact CD1-CG 4.48Å; L303-K307 WeakPolarHBondContact O-CG 3.48Å; L303-K307 PolarHBondContact O-N 2.98Å; C304-K307 WeakPolarHBondContact O-CB 3.46Å; C304-K307 PolarHBondContact O-N 2.94Å; R305-K307 VanDerWaalsContact C-N 3.34Å; K307-I309 PolarHBondContact O-N 3.46Å; K307-I309 VanDerWaalsContact O-N 3.14Å; K307-H310 WeakPolarHBondContact O-CB 3.2Å; K307-H310 PolarHBondContact O-N 3.27Å; K307-T311 PolarHBondContact O-N 3.39Å
308I86.1Confident86Confident32 Ų3268.2 Ų68.216%0.16434%0.342CS..Hα-helixtrans-57.8-28.2176-55.7173.1000112R305 H306 H310 T311 Q312 E313 N326R305-I308 WeakPolarHBondContact O-CB 3.3Å; H306-I308 PolarHBondContact O-N 3.44Å; H306-I308 VanDerWaalsContact O-N 3.14Å; I308-H310 VanDerWaalsContact C-N 3.27Å; I308-H310 PolarHBondContact O-N 3.48Å; I308-T311 PolarHBondContact O-N 3.46Å; I308-T311 PolarHBondContact O-OG1 3.18Å; I308-Q312 PolarHBondContact O-N 3.2Å; I308-Q312 VanDerWaalsContact O-N 3.14Å; I308-E313 WeakPolarHBondContact CG2-O 3.43Å; I308-N326 HydrophobicContact CG2-CB 4.05Å
309I85.4Confident85.9Confident71 Ų7171.5 Ų71.536%0.36437%0.366SS..Hα-helixtrans-68-31.4177.3-58.5173.7000111H306 K307 Q312H306-I309 VanDerWaalsContact O-CB 3.3Å; H306-I309 WeakPolarHBondContact O-CB 3.43Å; H306-I309 WeakPolarHBondContact O-CG1 3.49Å; H306-I309 PolarHBondContact O-N 3.43Å; K307-I309 PolarHBondContact O-N 3.46Å; K307-I309 VanDerWaalsContact O-N 3.14Å; I309-Q312 PolarHBondContact O-NE2 2.94Å
310H85.7Confident85.9Confident54 Ų5475.4 Ų75.425%0.2539%0.385CS..Hα-helixtrans-77.8-34.5178.5-65.6-58000112.3C290 V292 C293 H306 K307 I308 Q312C290-H310 PolarHBondContact SG-NE2 3.35Å; C290-H310 VanDerWaalsContact SG-NE2 3.41Å; V292-H310 HydrophobicContact CG1-CB 4.34Å; C293-H310 PolarHBondContact SG-NE2 2.87Å; H306-H310 AromaticContact CE1-NE2 3.72Å; H306-H310 AromaticContact NE2-CD2 3.97Å; H306-H310 AromaticContact NE2-NE2 3.21Å; H306-H310 PolarHBondContact NE2-NE2 3.18Å; K307-H310 WeakPolarHBondContact O-CB 3.2Å; K307-H310 PolarHBondContact O-N 3.27Å; I308-H310 VanDerWaalsContact C-N 3.27Å; I308-H310 PolarHBondContact O-N 3.48Å; H310-Q312 VanDerWaalsContact C-N 3.28Å; H310-Q312 PolarHBondContact O-N 2.76Å
311T81.8Confident86Confident68 Ų6875.3 Ų75.342%0.41738%0.38SS..Hα-helixtrans-79.2-13.1177.962.80000112.7K307 I308 E313K307-T311 PolarHBondContact O-N 3.39Å; I308-T311 PolarHBondContact O-N 3.46Å; I308-T311 PolarHBondContact O-OG1 3.18Å; T311-E313 PolarHBondContact O-N 3.35Å
312Q78.1Confident85.9Confident117 Ų11774.4 Ų74.455%0.54738%0.383SS..  trans54.412.8-172.7-62.4-65.1-2200114I308 I309 H310 K314I308-Q312 PolarHBondContact O-N 3.2Å; I308-Q312 VanDerWaalsContact O-N 3.14Å; I309-Q312 PolarHBondContact O-NE2 2.94Å; H310-Q312 VanDerWaalsContact C-N 3.28Å; H310-Q312 PolarHBondContact O-N 2.76Å; Q312-K314 PolarHBondContact O-N 3.22Å
313E78.9Confident85.9Confident115 Ų11579.1 Ų79.154%0.53740%0.401SS..  trans-66.8136.1176.6-70.3178.1167.400109.1I308 T311 P315I308-E313 WeakPolarHBondContact CG2-O 3.43Å; T311-E313 PolarHBondContact O-N 3.35Å; E313-P315 WeakPolarHBondContact O-CD 3.49Å
314K82.6Confident85.8Confident110 Ų11079.5 Ų79.548%0.47841%0.407SS..  trans-122.980.5177.6-69.9169177179.40108.1Q312 H316 A324 F325Q312-K314 PolarHBondContact O-N 3.22Å; K314-H316 PolarHBondContact O-N 2.9Å; K314-H316 VanDerWaalsContact O-N 3.15Å; K314-A324 HydrophobicContact CB-CB 3.38Å; K314-A324 HydrophobicContact CD-CB 3.98Å; K314-A324 WeakPolarHBondContact CD-O 3.45Å; K314-A324 HydrophobicContact CG-CB 4.3Å; K314-F325 CarbonylContact C-O 3.58Å; K314-F325 WeakPolarHBondContact CA-O 3.3Å
315P82.3Confident85.8Confident79 Ų7979.5 Ų79.551%0.51340%0.403SS..  trans-63.9-23.8-171.7-21.633.5000113E313E313-P315 WeakPolarHBondContact O-CD 3.49Å
316H86.6Confident85.9Confident48 Ų4877 Ų7722%0.22240%0.398CS..EExtended strand (participates in β ladder)trans-102.995.8-171.2-56-73.5000110.9K314 A324 F325 S328 L331K314-H316 PolarHBondContact O-N 2.9Å; K314-H316 VanDerWaalsContact O-N 3.15Å; H316-A324 CarbonylContact O-C 3.53Å; H316-A324 WeakPolarHBondContact O-CA 3.34Å; H316-F325 HydrophobicContact CB-CB 4.41Å; H316-F325 WeakPolarHBondContact CB-O 3.49Å; H316-F325 PolarHBondContact N-O 3.45Å; H316-F325 PolarHBondContact O-N 3.43Å; H316-S328 PolarHBondContact CD2-N 2.75Å; H316-S328 PolarHBondContact NE2-N 3.24Å; H316-L331 HydrophobicContact CB-CB 4.13Å; H316-L331 HydrophobicContact CB-CD2 3.85Å
317K88Confident85.7Confident144 Ų14480.8 Ų80.863%0.62641%0.412SS*.EExtended strand (participates in β ladder)trans-89.4141.1178.2-61.9-176.6-178.7178.20111.4A324 L331K317-A324 HydrophobicContact CG-CB 3.86Å; K317-L331 WeakPolarHBondContact O-CD2 3.46Å
318C91Very high85.8Confident3 Ų380 Ų802%0.0242%0.417CS..  trans-83.3121.1170.6-177.50000109.6Q320 G322 K323 F325 L331C318-Q320 PolarHBondContact O-N 3.03Å; C318-G322 WeakPolarHBondContact O-CA 3.32Å; C318-G322 PolarHBondContact O-N 3.44Å; C318-K323 WeakPolarHBondContact CB-O 3.49Å; C318-K323 PolarHBondContact N-O 3.02Å; C318-F325 HydrophobicContact CB-CE2 4.31Å; C318-L331 HydrophobicContact CB-CD1 3.61Å
319N87.8Confident85.8Confident163 Ų16380.9 Ų80.987%0.87243%0.426SS*.THydrogen-bonded Turntrans-66.8-23.7-179.3-62.1-10.6000112.9
320Q87.8Confident85.9Confident137 Ų13779.7 Ų79.764%0.6442%0.423SS*.THydrogen-bonded Turntrans-86.8-32.7-175.3-60.7-171.921.700113.8C318C318-Q320 PolarHBondContact O-N 3.03Å
321C89.3Confident86.2Confident51 Ų5178.6 Ų78.635%0.34542%0.419SS..THydrogen-bonded Turntrans-128.96.1-17868.30000114.4K323 H334 H338C321-K323 PolarHBondContact O-N 2.08Å; C321-K323 VanDerWaalsContact SG-CG 3.57Å; C321-H334 PolarHBondContact SG-NE2 3.22Å; C321-H338 PolarHBondContact SG-NE2 3.26Å; C321-H338 VanDerWaalsContact SG-NE2 3.36Å
322G85.9Confident86.5Confident56 Ų5679.7 Ų79.758%0.57742%0.422SS*.  trans69.1-4.4-179.300000115C318 A324C318-G322 WeakPolarHBondContact O-CA 3.32Å; C318-G322 PolarHBondContact O-N 3.44Å; G322-A324 PolarHBondContact O-N 3.07Å
323K88.3Confident86.9Confident127 Ų12775.5 Ų75.555%0.55240%0.404SS*.  trans-65.5128.5-177.7-71.2-179.9-177.2176.80111.1C318 C321 F325C318-K323 WeakPolarHBondContact CB-O 3.49Å; C318-K323 PolarHBondContact N-O 3.02Å; C321-K323 PolarHBondContact O-N 2.08Å; C321-K323 VanDerWaalsContact SG-CG 3.57Å; K323-F325 HydrophobicContact CB-CE2 3.98Å; K323-F325 HydrophobicContact CB-CZ 4.07Å; K323-F325 WeakPolarHBondContact O-CE2 3.45Å
324A88.6Confident87.5Confident29 Ų2971 Ų7124%0.2438%0.383CS..EExtended strand (participates in β ladder)trans-99.9142.6-179.500000111.9K314 H316 K317 G322K314-A324 HydrophobicContact CB-CB 3.38Å; K314-A324 HydrophobicContact CD-CB 3.98Å; K314-A324 WeakPolarHBondContact CD-O 3.45Å; K314-A324 HydrophobicContact CG-CB 4.3Å; H316-A324 CarbonylContact O-C 3.53Å; H316-A324 WeakPolarHBondContact O-CA 3.34Å; K317-A324 HydrophobicContact CG-CB 3.86Å; G322-A324 PolarHBondContact O-N 3.07Å
325F87.2Confident87.8Confident36 Ų3668 Ų6816%0.15837%0.374CS..EExtended strand (participates in β ladder)trans-127.5149.8-178.7-58.5-86.1000110.8K314 H316 C318 K323 R327 T330 L331 H334K314-F325 CarbonylContact C-O 3.58Å; K314-F325 WeakPolarHBondContact CA-O 3.3Å; H316-F325 HydrophobicContact CB-CB 4.41Å; H316-F325 WeakPolarHBondContact CB-O 3.49Å; H316-F325 PolarHBondContact N-O 3.45Å; H316-F325 PolarHBondContact O-N 3.43Å; C318-F325 HydrophobicContact CB-CE2 4.31Å; K323-F325 HydrophobicContact CB-CE2 3.98Å; K323-F325 HydrophobicContact CB-CZ 4.07Å; K323-F325 WeakPolarHBondContact O-CE2 3.45Å; F325-R327 VanDerWaalsContact C-N 3.25Å; F325-R327 PolarHBondContact O-N 3.17Å; F325-T330 HydrophobicContact CD1-CG2 3.61Å; F325-T330 HydrophobicContact CE1-CG2 4.18Å; F325-T330 HydrophobicContact CG-CG2 4.35Å; F325-L331 HydrophobicContact CB-CB 4.36Å; F325-L331 HydrophobicContact CD2-CB 3.9Å; F325-L331 HydrophobicContact CD2-CD1 3.71Å; F325-L331 HydrophobicContact CD2-CG 4.4Å; F325-L331 HydrophobicContact CE2-CD1 3.86Å; F325-L331 HydrophobicContact CG-CB 4.34Å; F325-H334 HydrophobicContact CE1-CB 4.15Å; F325-H334 HydrophobicContact CE2-CB 3.96Å; F325-H334 AromaticContact CE2-CD2 3.32Å; F325-H334 WeakPolarHBondContact CE2-CD2 3.2Å; F325-H334 AromaticContact CE2-CG 3.63Å; F325-H334 AromaticContact CE2-NE2 3.93Å; F325-H334 HydrophobicContact CZ-CB 3.58Å; F325-H334 AromaticContact CZ-CD2 3.38Å; F325-H334 WeakPolarHBondContact CZ-CD2 3.26Å; F325-H334 AromaticContact CZ-CG 3.24Å; F325-H334 AromaticContact CZ-ND1 3.67Å; F325-H334 AromaticContact CZ-NE2 3.83Å
326N86.4Confident88.1Confident65 Ų6566.8 Ų66.835%0.34836%0.359SS..SBendtrans-79.1-6.717661.711000113.6I308I308-N326 HydrophobicContact CG2-CB 4.05Å
327R86.3Confident88.2Confident101 Ų10169 Ų6938%0.38137%0.372SS..  trans-144.1135.5-176.6-69175.262.2175.9-2.2111.4F325 S329 T330 L331F325-R327 VanDerWaalsContact C-N 3.25Å; F325-R327 PolarHBondContact O-N 3.17Å; R327-S329 VanDerWaalsContact C-N 3.31Å; R327-S329 PolarHBondContact NE-OG 3.01Å; R327-S329 PolarHBondContact NH2-OG 2.85Å; R327-S329 VanDerWaalsContact NH2-OG 3.12Å; R327-S329 PolarHBondContact O-N 3.15Å; R327-T330 WeakPolarHBondContact O-CB 3.43Å; R327-T330 PolarHBondContact O-N 3.35Å; R327-T330 VanDerWaalsContact O-N 3.12Å; R327-L331 PolarHBondContact O-N 2.74Å; R327-L331 VanDerWaalsContact O-N 3.08Å
328S86.9Confident88.2Confident73 Ų7365.6 Ų65.651%0.5136%0.358SS..Hα-helixtrans-57.6-41.7172.658.90000112.3H316 T330 L331 N332H316-S328 PolarHBondContact CD2-N 2.75Å; H316-S328 PolarHBondContact NE2-N 3.24Å; S328-T330 PolarHBondContact O-N 3.31Å; S328-L331 WeakPolarHBondContact O-CB 3.21Å; S328-L331 PolarHBondContact O-N 3.4Å; S328-N332 PolarHBondContact O-N 3.16Å
329S87.2Confident87.9Confident51 Ų5169.2 Ų69.236%0.35739%0.388SS..Hα-helixtrans-58.5-37.5177.162.40000112.5R327 T333R327-S329 VanDerWaalsContact C-N 3.31Å; R327-S329 PolarHBondContact NE-OG 3.01Å; R327-S329 PolarHBondContact NH2-OG 2.85Å; R327-S329 VanDerWaalsContact NH2-OG 3.12Å; R327-S329 PolarHBondContact O-N 3.15Å; S329-T333 WeakPolarHBondContact O-CG2 3.44Å; S329-T333 PolarHBondContact O-N 3.3Å; S329-T333 PolarHBondContact O-OG1 3.12Å
330T88.3Confident87.8Confident47 Ų4763.6 Ų63.629%0.28837%0.368SS..Hα-helixtrans-73.5-42.5179.2-51.90000110.4F325 R327 S328 N332 T333 H334F325-T330 HydrophobicContact CD1-CG2 3.61Å; F325-T330 HydrophobicContact CE1-CG2 4.18Å; F325-T330 HydrophobicContact CG-CG2 4.35Å; R327-T330 WeakPolarHBondContact O-CB 3.43Å; R327-T330 PolarHBondContact O-N 3.35Å; R327-T330 VanDerWaalsContact O-N 3.12Å; S328-T330 PolarHBondContact O-N 3.31Å; T330-N332 VanDerWaalsContact C-N 3.32Å; T330-N332 PolarHBondContact O-N 3.05Å; T330-T333 WeakPolarHBondContact CA-OG1 3.38Å; T330-T333 PolarHBondContact O-N 3.08Å; T330-T333 PolarHBondContact O-OG1 3.27Å; T330-H334 WeakPolarHBondContact O-CB 3.44Å; T330-H334 PolarHBondContact O-N 3.12Å
331L90.5Very high87.8Confident31 Ų3163.8 Ų63.816%0.16236%0.364CS..Hα-helixtrans-56.4-46.8171.5173.862.3000110.9H316 K317 C318 F325 R327 S328 T333 H334 T335H316-L331 HydrophobicContact CB-CB 4.13Å; H316-L331 HydrophobicContact CB-CD2 3.85Å; K317-L331 WeakPolarHBondContact O-CD2 3.46Å; C318-L331 HydrophobicContact CB-CD1 3.61Å; F325-L331 HydrophobicContact CB-CB 4.36Å; F325-L331 HydrophobicContact CD2-CB 3.9Å; F325-L331 HydrophobicContact CD2-CD1 3.71Å; F325-L331 HydrophobicContact CD2-CG 4.4Å; F325-L331 HydrophobicContact CE2-CD1 3.86Å; F325-L331 HydrophobicContact CG-CB 4.34Å; R327-L331 PolarHBondContact O-N 2.74Å; R327-L331 VanDerWaalsContact O-N 3.08Å; S328-L331 WeakPolarHBondContact O-CB 3.21Å; S328-L331 PolarHBondContact O-N 3.4Å; L331-T333 VanDerWaalsContact C-N 3.34Å; L331-T333 PolarHBondContact O-N 3.36Å; L331-H334 CarbonylContact O-C 3.56Å; L331-H334 WeakPolarHBondContact O-CA 3.38Å; L331-H334 WeakPolarHBondContact O-CB 3.32Å; L331-H334 PolarHBondContact O-N 2.75Å; L331-T335 HydrophobicContact CD1-CG2 4.09Å; L331-T335 HydrophobicContact CG-CG2 4.38Å; L331-T335 WeakPolarHBondContact O-CG2 3.38Å; L331-T335 PolarHBondContact O-N 2.92Å; L331-T335 PolarHBondContact O-OG1 3.36Å
332N87.9Confident87.8Confident91 Ų9166.3 Ų66.349%0.48737%0.369SS..Hα-helixtrans-63.6-36.1178.3-17335.1000112.9S328 T330 H334 T335 R336S328-N332 PolarHBondContact O-N 3.16Å; T330-N332 VanDerWaalsContact C-N 3.32Å; T330-N332 PolarHBondContact O-N 3.05Å; N332-H334 VanDerWaalsContact C-N 3.27Å; N332-H334 PolarHBondContact O-N 3.41Å; N332-T335 WeakPolarHBondContact CA-OG1 3.42Å; N332-T335 PolarHBondContact O-OG1 3Å; N332-R336 WeakPolarHBondContact O-CG 3.5Å
333T88.1Confident87.9Confident28 Ų2865.9 Ų65.917%0.17236%0.357CS..Hα-helixtrans-69.8-28.817255.20000112.6S329 T330 L331 Q355S329-T333 WeakPolarHBondContact O-CG2 3.44Å; S329-T333 PolarHBondContact O-N 3.3Å; S329-T333 PolarHBondContact O-OG1 3.12Å; T330-T333 WeakPolarHBondContact CA-OG1 3.38Å; T330-T333 PolarHBondContact O-N 3.08Å; T330-T333 PolarHBondContact O-OG1 3.27Å; L331-T333 VanDerWaalsContact C-N 3.34Å; L331-T333 PolarHBondContact O-N 3.36Å; T333-Q355 HydrophobicContact CG2-CG 4.39Å
334H90.4Very high88Confident22 Ų2262.6 Ų62.610%0.10234%0.342CS..Hα-helixtrans-76-40178.2170.470.9000112.1C321 F325 T330 L331 N332 R336 I337 H338C321-H334 PolarHBondContact SG-NE2 3.22Å; F325-H334 HydrophobicContact CE1-CB 4.15Å; F325-H334 HydrophobicContact CE2-CB 3.96Å; F325-H334 AromaticContact CE2-CD2 3.32Å; F325-H334 WeakPolarHBondContact CE2-CD2 3.2Å; F325-H334 AromaticContact CE2-CG 3.63Å; F325-H334 AromaticContact CE2-NE2 3.93Å; F325-H334 HydrophobicContact CZ-CB 3.58Å; F325-H334 AromaticContact CZ-CD2 3.38Å; F325-H334 WeakPolarHBondContact CZ-CD2 3.26Å; F325-H334 AromaticContact CZ-CG 3.24Å; F325-H334 AromaticContact CZ-ND1 3.67Å; F325-H334 AromaticContact CZ-NE2 3.83Å; T330-H334 WeakPolarHBondContact O-CB 3.44Å; T330-H334 PolarHBondContact O-N 3.12Å; L331-H334 CarbonylContact O-C 3.56Å; L331-H334 WeakPolarHBondContact O-CA 3.38Å; L331-H334 WeakPolarHBondContact O-CB 3.32Å; L331-H334 PolarHBondContact O-N 2.75Å; N332-H334 VanDerWaalsContact C-N 3.27Å; N332-H334 PolarHBondContact O-N 3.41Å; H334-R336 PolarHBondContact O-N 3.33Å; H334-I337 WeakPolarHBondContact O-CB 3.34Å; H334-I337 WeakPolarHBondContact O-CG1 3.45Å; H334-I337 PolarHBondContact O-N 3.19Å; H334-H338 AromaticContact CE1-NE2 3.77Å; H334-H338 AromaticContact NE2-CD2 3.98Å; H334-H338 AromaticContact NE2-NE2 3.3Å; H334-H338 PolarHBondContact NE2-NE2 3.44Å
335T88.2Confident88Confident45 Ų4564.8 Ų64.828%0.27635%0.353SS..Hα-helixtrans-60-29.1176.952.40000112.4L331 N332 I337 H338 A339L331-T335 HydrophobicContact CD1-CG2 4.09Å; L331-T335 HydrophobicContact CG-CG2 4.38Å; L331-T335 WeakPolarHBondContact O-CG2 3.38Å; L331-T335 PolarHBondContact O-N 2.92Å; L331-T335 PolarHBondContact O-OG1 3.36Å; N332-T335 WeakPolarHBondContact CA-OG1 3.42Å; N332-T335 PolarHBondContact O-OG1 3Å; T335-I337 PolarHBondContact O-N 3.26Å; T335-H338 WeakPolarHBondContact O-CB 3.33Å; T335-H338 PolarHBondContact O-N 3.32Å; T335-H338 VanDerWaalsContact O-N 3.1Å; T335-A339 PolarHBondContact O-N 3.34Å; T335-A339 VanDerWaalsContact O-N 3.13Å
336R90Very high88.2Confident55 Ų5563.1 Ų63.121%0.20835%0.345CS..Hα-helixtrans-59-29.5172-62.8176-154.9173.5-2.2113.4N332 H334 H338 A339 G340 Y341 H354N332-R336 WeakPolarHBondContact O-CG 3.5Å; H334-R336 PolarHBondContact O-N 3.33Å; R336-H338 VanDerWaalsContact C-N 3.31Å; R336-A339 PolarHBondContact O-N 3.41Å; R336-G340 PolarHBondContact O-N 2.91Å; R336-Y341 HydrophobicContact CG-CD1 4.25Å; R336-Y341 PolarHBondContact O-N 3.28Å; R336-H354 PolarHBondContact NH1-O 3.01Å
337I88.3Confident88.3Confident94 Ų9467.7 Ų67.748%0.48236%0.364SS..Hα-helixtrans-65.1-42.5177.7-58.7173.4000109.4H334 T335 G340H334-I337 WeakPolarHBondContact O-CB 3.34Å; H334-I337 WeakPolarHBondContact O-CG1 3.45Å; H334-I337 PolarHBondContact O-N 3.19Å; T335-I337 PolarHBondContact O-N 3.26Å; I337-G340 PolarHBondContact O-N 3.17Å
338H87.8Confident88.2Confident72 Ų7269.7 Ų69.733%0.33338%0.376SS..Hα-helixtrans-68.1-38.7177.3-65.3-62.6000112.7C321 H334 T335 R336 G340C321-H338 PolarHBondContact SG-NE2 3.26Å; C321-H338 VanDerWaalsContact SG-NE2 3.36Å; H334-H338 AromaticContact CE1-NE2 3.77Å; H334-H338 AromaticContact NE2-CD2 3.98Å; H334-H338 AromaticContact NE2-NE2 3.3Å; H334-H338 PolarHBondContact NE2-NE2 3.44Å; T335-H338 WeakPolarHBondContact O-CB 3.33Å; T335-H338 PolarHBondContact O-N 3.32Å; T335-H338 VanDerWaalsContact O-N 3.1Å; R336-H338 VanDerWaalsContact C-N 3.31Å; H338-G340 PolarHBondContact O-N 3.19Å
339A85.8Confident88.3Confident79 Ų7968.6 Ų68.665%0.65337%0.368SS*.THydrogen-bonded Turntrans-74.6-5.6175.600000113.6T335 R336 Y341T335-A339 PolarHBondContact O-N 3.34Å; T335-A339 VanDerWaalsContact O-N 3.13Å; R336-A339 PolarHBondContact O-N 3.41Å; A339-Y341 PolarHBondContact O-N 3.48Å
340G85.6Confident88.3Confident45 Ų4568.9 Ų68.946%0.46438%0.379SS..THydrogen-bonded Turntrans61.111.3-170.900000114.2R336 I337 H338 K342R336-G340 PolarHBondContact O-N 2.91Å; I337-G340 PolarHBondContact O-N 3.17Å; H338-G340 PolarHBondContact O-N 3.19Å; G340-K342 PolarHBondContact O-N 2.79Å
341Y87.8Confident88.3Confident142 Ų14272.8 Ų72.856%0.55739%0.392SS*.  trans-77.9112.8-171.3-178.7-117.5000111.3R336 A339 P343 H354R336-Y341 HydrophobicContact CG-CD1 4.25Å; R336-Y341 PolarHBondContact O-N 3.28Å; A339-Y341 PolarHBondContact O-N 3.48Å; Y341-P343 HydrophobicContact CD1-CG 4.26Å; Y341-P343 HydrophobicContact CE1-CB 3.78Å; Y341-P343 HydrophobicContact CE1-CG 3.87Å; Y341-P343 WeakPolarHBondContact O-CD 3.41Å; Y341-H354 PolarHBondContact O-CD2 3.27Å
342K89.2Confident88.3Confident104 Ų10472.4 Ų72.445%0.45240%0.396SS..  trans-115.681.7-176.4-67.8166-173.9176.30110.3G340 F344 F353G340-K342 PolarHBondContact O-N 2.79Å; K342-F344 PolarHBondContact O-N 2.89Å; K342-F344 VanDerWaalsContact O-N 3.14Å; K342-F353 CarbonylContact C-O 3.58Å
343P87.1Confident88.3Confident47 Ų4770.1 Ų70.131%0.30538%0.382SS..  trans-66.3-16.3-174.823.3-32.2000114.1Y341Y341-P343 HydrophobicContact CD1-CG 4.26Å; Y341-P343 HydrophobicContact CE1-CB 3.78Å; Y341-P343 HydrophobicContact CE1-CG 3.87Å; Y341-P343 WeakPolarHBondContact O-CD 3.41Å
344F89.9Confident88.2Confident57 Ų5770.9 Ų70.925%0.2538%0.383CS..EExtended strand (participates in β ladder)trans-113.299.5-176.9-52.5-72000110.1K342 G352 F353 Q355 K356 Y359K342-F344 PolarHBondContact O-N 2.89Å; K342-F344 VanDerWaalsContact O-N 3.14Å; F344-G352 CarbonylContact O-C 3.52Å; F344-G352 WeakPolarHBondContact O-CA 3.38Å; F344-F353 HydrophobicContact CB-CB 4.31Å; F344-F353 PolarHBondContact N-O 3.34Å; F344-F353 PolarHBondContact O-N 3.37Å; F344-Q355 VanDerWaalsContact CD2-C 3.41Å; F344-K356 HydrophobicContact CD1-CB 4.38Å; F344-K356 HydrophobicContact CD2-CB 4.41Å; F344-K356 HydrophobicContact CE1-CB 3.92Å; F344-K356 HydrophobicContact CE1-CD 4.46Å; F344-K356 HydrophobicContact CE1-CG 4.16Å; F344-K356 HydrophobicContact CE2-CB 3.96Å; F344-K356 VanDerWaalsContact CE2-N 3.26Å; F344-K356 HydrophobicContact CZ-CB 3.7Å; F344-K356 HydrophobicContact CZ-CG 4.42Å; F344-Y359 HydrophobicContact CB-CD1 4.3Å; F344-Y359 HydrophobicContact CB-CD2 4Å; F344-Y359 HydrophobicContact CB-CG 3.73Å
345V89.9Confident88.1Confident76 Ų7673.9 Ų73.946%0.46140%0.397SS..EExtended strand (participates in β ladder)trans-102.9134.3-179.9-175.70000110E347 Y359V345-E347 PolarHBondContact O-N 3.18Å; V345-Y359 VanDerWaalsContact O-CE2 3.23Å; V345-Y359 WeakPolarHBondContact O-CE2 3.26Å
346C90.7Very high88.1Confident0 Ų078.8 Ų78.80%042%0.415CS..  trans-76.4116.9173-168.30000110.5F348 C349 G350 K351 F353 Y359 H362 H366C346-F348 VanDerWaalsContact C-N 3.25Å; C346-F348 PolarHBondContact O-N 2.86Å; C346-C349 PolarHBondContact O-N 3.44Å; C346-C349 VanDerWaalsContact SG-SG 3.7Å; C346-G350 WeakPolarHBondContact O-CA 3.29Å; C346-G350 PolarHBondContact O-N 3.29Å; C346-K351 WeakPolarHBondContact CB-O 3.15Å; C346-K351 PolarHBondContact N-O 3.32Å; C346-F353 HydrophobicContact CB-CE2 4.46Å; C346-Y359 HydrophobicContact CB-CE2 4.41Å; C346-H362 VanDerWaalsContact SG-CD2 3.58Å; C346-H362 PolarHBondContact SG-NE2 3.35Å; C346-H362 VanDerWaalsContact SG-NE2 3.35Å; C346-H366 VanDerWaalsContact SG-CD2 3.51Å; C346-H366 PolarHBondContact SG-NE2 3.11Å; C346-H366 VanDerWaalsContact SG-NE2 3.44Å
347E88.1Confident87.9Confident161 Ų16178 Ų7875%0.75242%0.424SS*.THydrogen-bonded Turntrans-63.2-32.5177.5-68.5159.1-170.700111.9V345V345-E347 PolarHBondContact O-N 3.18Å
348F85.3Confident87.8Confident143 Ų14377.6 Ų77.663%0.62742%0.423SS*.THydrogen-bonded Turntrans-75.6-25.2-177.7-60.6-75.3000114.5C346C346-F348 VanDerWaalsContact C-N 3.25Å; C346-F348 PolarHBondContact O-N 2.86Å
349C88.6Confident87.8Confident50 Ų5076 Ų7634%0.33841%0.414SS..THydrogen-bonded Turntrans-142.68.4-174.771.80000115C346 K351 H362 H366C346-C349 PolarHBondContact O-N 3.44Å; C346-C349 VanDerWaalsContact SG-SG 3.7Å; C349-K351 PolarHBondContact O-N 3.27Å; C349-H362 PolarHBondContact SG-NE2 2.91Å; C349-H366 PolarHBondContact SG-NE2 3.01Å
350G86.4Confident87.9Confident57 Ų5779.2 Ų79.259%0.58841%0.413SS*.  trans66.9-0.4-179.800000115.6C346 G352C346-G350 WeakPolarHBondContact O-CA 3.29Å; C346-G350 PolarHBondContact O-N 3.29Å; G350-G352 PolarHBondContact O-N 3.43Å
351K89.4Confident87.8Confident129 Ų12979.5 Ų79.556%0.56140%0.404SS*.  trans-70.5121.9-176.6-70.8-178.6-177.8178.90111.4C346 C349 F353C346-K351 WeakPolarHBondContact CB-O 3.15Å; C346-K351 PolarHBondContact N-O 3.32Å; C349-K351 PolarHBondContact O-N 3.27Å; K351-F353 HydrophobicContact CB-CE2 3.93Å; K351-F353 HydrophobicContact CB-CZ 4.13Å; K351-F353 WeakPolarHBondContact O-CD2 3.13Å; K351-F353 VanDerWaalsContact O-CE2 3.22Å; K351-F353 WeakPolarHBondContact O-CE2 3.37Å
352G88.9Confident87.8Confident24 Ų2474 Ų7425%0.24738%0.384CS..EExtended strand (participates in β ladder)trans-91.5141.9176.800000114.2F344 G350F344-G352 CarbonylContact O-C 3.52Å; F344-G352 WeakPolarHBondContact O-CA 3.38Å; G350-G352 PolarHBondContact O-N 3.43Å
353F88.2Confident87.6Confident42 Ų4272.6 Ų72.618%0.18438%0.378CS..EExtended strand (participates in β ladder)trans-128.1145.2-179.1-59.4-91.8000111.8K342 F344 C346 K351 N358 Y359 H362K342-F353 CarbonylContact C-O 3.58Å; F344-F353 HydrophobicContact CB-CB 4.31Å; F344-F353 PolarHBondContact N-O 3.34Å; F344-F353 PolarHBondContact O-N 3.37Å; C346-F353 HydrophobicContact CB-CE2 4.46Å; K351-F353 HydrophobicContact CB-CE2 3.93Å; K351-F353 HydrophobicContact CB-CZ 4.13Å; K351-F353 WeakPolarHBondContact O-CD2 3.13Å; K351-F353 VanDerWaalsContact O-CE2 3.22Å; K351-F353 WeakPolarHBondContact O-CE2 3.37Å; F353-N358 HydrophobicContact CD1-CB 4Å; F353-Y359 HydrophobicContact CD2-CD2 4.07Å; F353-H362 HydrophobicContact CE1-CB 3.91Å; F353-H362 HydrophobicContact CE2-CB 3.83Å; F353-H362 AromaticContact CE2-CD2 3.26Å; F353-H362 WeakPolarHBondContact CE2-CD2 3.27Å; F353-H362 AromaticContact CE2-CG 3.56Å; F353-H362 HydrophobicContact CZ-CB 3.38Å; F353-H362 AromaticContact CZ-CD2 3.38Å; F353-H362 WeakPolarHBondContact CZ-CD2 3.48Å; F353-H362 AromaticContact CZ-CG 3.18Å; F353-H362 AromaticContact CZ-ND1 3.79Å
354H87.2Confident87.4Confident45 Ų4571.3 Ų71.321%0.20837%0.368CS..SBendtrans-81.2-18.8178.5-54.488.6000113.1R336 Y341R336-H354 PolarHBondContact NH1-O 3.01Å; Y341-H354 PolarHBondContact O-CD2 3.27Å
355Q88.1Confident87.1Confident84 Ų8472.1 Ų72.139%0.39338%0.378SS..SBendtrans-132.2140-175.2-62.2-174.618.900111.9T333 F344 G357 N358 Y359T333-Q355 HydrophobicContact CG2-CG 4.39Å; F344-Q355 VanDerWaalsContact CD2-C 3.41Å; Q355-G357 PolarHBondContact O-N 3.28Å; Q355-N358 PolarHBondContact O-N 2.83Å; Q355-Y359 PolarHBondContact O-N 3.28Å; Q355-Y359 VanDerWaalsContact O-N 3.17Å
356K87.5Confident86.7Confident148 Ų14872.4 Ų72.464%0.64337%0.374SS*.Hα-helixtrans-62.5-37.9-178.9-172.2175-179.5174.30113.1F344 Y359 K360F344-K356 HydrophobicContact CD1-CB 4.38Å; F344-K356 HydrophobicContact CD2-CB 4.41Å; F344-K356 HydrophobicContact CE1-CB 3.92Å; F344-K356 HydrophobicContact CE1-CD 4.46Å; F344-K356 HydrophobicContact CE1-CG 4.16Å; F344-K356 HydrophobicContact CE2-CB 3.96Å; F344-K356 VanDerWaalsContact CE2-N 3.26Å; F344-K356 HydrophobicContact CZ-CB 3.7Å; F344-K356 HydrophobicContact CZ-CG 4.42Å; K356-Y359 WeakPolarHBondContact O-CB 3.22Å; K356-Y359 PolarHBondContact O-N 2.77Å; K356-K360 PolarHBondContact O-N 3.2Å
357G85.3Confident86.1Confident40 Ų4075.5 Ų75.541%0.41240%0.396SS..Hα-helixtrans-62.2-45.3178.700000112.1Q355 Y359 K360 N361Q355-G357 PolarHBondContact O-N 3.28Å; G357-Y359 VanDerWaalsContact C-N 3.35Å; G357-Y359 PolarHBondContact O-N 3.06Å; G357-K360 PolarHBondContact O-N 3.39Å; G357-N361 PolarHBondContact O-N 3.45Å; G357-N361 PolarHBondContact O-OD1 2.98Å
358N86.7Confident85.4Confident84 Ų8470 Ų7045%0.44938%0.382SS..Hα-helixtrans-64.6-40.9177.4-64.7-1.3000111.4F353 Q355 N361 H362F353-N358 HydrophobicContact CD1-CB 4Å; Q355-N358 PolarHBondContact O-N 2.83Å; N358-N361 PolarHBondContact O-N 2.82Å; N358-H362 VanDerWaalsContact O-CB 3.3Å; N358-H362 WeakPolarHBondContact O-CB 3.5Å; N358-H362 PolarHBondContact O-N 3.13Å
359Y89.3Confident84.9Confident39 Ų3968 Ų6815%0.15338%0.375CS..Hα-helixtrans-60-47.2173.1167.7-104.7000112.3F344 V345 C346 F353 Q355 K356 G357 N361 H362 K363F344-Y359 HydrophobicContact CB-CD1 4.3Å; F344-Y359 HydrophobicContact CB-CD2 4Å; F344-Y359 HydrophobicContact CB-CG 3.73Å; V345-Y359 VanDerWaalsContact O-CE2 3.23Å; V345-Y359 WeakPolarHBondContact O-CE2 3.26Å; C346-Y359 HydrophobicContact CB-CE2 4.41Å; F353-Y359 HydrophobicContact CD2-CD2 4.07Å; Q355-Y359 PolarHBondContact O-N 3.28Å; Q355-Y359 VanDerWaalsContact O-N 3.17Å; K356-Y359 WeakPolarHBondContact O-CB 3.22Å; K356-Y359 PolarHBondContact O-N 2.77Å; G357-Y359 VanDerWaalsContact C-N 3.35Å; G357-Y359 PolarHBondContact O-N 3.06Å; Y359-N361 PolarHBondContact O-N 3.5Å; Y359-H362 WeakPolarHBondContact O-CB 3.22Å; Y359-H362 PolarHBondContact O-N 3.41Å; Y359-K363 HydrophobicContact CE1-CD 3.75Å; Y359-K363 HydrophobicContact CE1-CG 4.31Å; Y359-K363 HydrophobicContact CE2-CD 4.19Å; Y359-K363 HydrophobicContact CE2-CG 4.12Å; Y359-K363 PolarHBondContact O-N 3.43Å
360K86.3Confident84.4Confident146 Ų14670.8 Ų70.864%0.63538%0.381SS*.Hα-helixtrans-60.4-46.4177.6-172-178.9179.4-177.20111.3K356 G357 H362 K363 L364K356-K360 PolarHBondContact O-N 3.2Å; G357-K360 PolarHBondContact O-N 3.39Å; K360-H362 VanDerWaalsContact C-N 3.26Å; K360-H362 PolarHBondContact O-N 3.1Å; K360-K363 PolarHBondContact O-N 2.89Å; K360-L364 PolarHBondContact O-N 2.88Å
361N83.9Confident84Confident52 Ų5273.6 Ų73.628%0.27838%0.379SS..Hα-helixtrans-64.3-34.1177.9-69.22.4000111.7G357 N358 Y359 L364 Q383G357-N361 PolarHBondContact O-N 3.45Å; G357-N361 PolarHBondContact O-OD1 2.98Å; N358-N361 PolarHBondContact O-N 2.82Å; Y359-N361 PolarHBondContact O-N 3.5Å; N361-L364 WeakPolarHBondContact O-CB 3.38Å; N361-L364 PolarHBondContact O-N 3.21Å; N361-Q383 PolarHBondContact ND2-OE1 3.44Å
362H87.3Confident83.7Confident26 Ų2670.4 Ų70.412%0.1237%0.365CS..Hα-helixtrans-68.1-40.7173.4172.861.7000112.4C346 C349 F353 N358 Y359 K360 L364 T365 H366C346-H362 VanDerWaalsContact SG-CD2 3.58Å; C346-H362 PolarHBondContact SG-NE2 3.35Å; C346-H362 VanDerWaalsContact SG-NE2 3.35Å; C349-H362 PolarHBondContact SG-NE2 2.91Å; F353-H362 HydrophobicContact CE1-CB 3.91Å; F353-H362 HydrophobicContact CE2-CB 3.83Å; F353-H362 AromaticContact CE2-CD2 3.26Å; F353-H362 WeakPolarHBondContact CE2-CD2 3.27Å; F353-H362 AromaticContact CE2-CG 3.56Å; F353-H362 HydrophobicContact CZ-CB 3.38Å; F353-H362 AromaticContact CZ-CD2 3.38Å; F353-H362 WeakPolarHBondContact CZ-CD2 3.48Å; F353-H362 AromaticContact CZ-CG 3.18Å; F353-H362 AromaticContact CZ-ND1 3.79Å; N358-H362 VanDerWaalsContact O-CB 3.3Å; N358-H362 WeakPolarHBondContact O-CB 3.5Å; N358-H362 PolarHBondContact O-N 3.13Å; Y359-H362 WeakPolarHBondContact O-CB 3.22Å; Y359-H362 PolarHBondContact O-N 3.41Å; K360-H362 VanDerWaalsContact C-N 3.26Å; K360-H362 PolarHBondContact O-N 3.1Å; H362-L364 PolarHBondContact O-N 3.3Å; H362-T365 WeakPolarHBondContact O-CB 3.38Å; H362-T365 PolarHBondContact O-N 2.97Å; H362-T365 PolarHBondContact O-OG1 3.1Å; H362-H366 AromaticContact CE1-NE2 3.43Å; H362-H366 PolarHBondContact CE1-NE2 3.23Å; H362-H366 AromaticContact NE2-CD2 3.76Å; H362-H366 AromaticContact NE2-NE2 3.18Å; H362-H366 PolarHBondContact NE2-NE2 3.31Å; H362-H366 VanDerWaalsContact NE2-NE2 3.18Å
363K84.8Confident83.5Confident75 Ų7575.2 Ų75.233%0.32638%0.379SS..Hα-helixtrans-57.3-33.9175.6-71.5-168.181.51610112.6Y359 K360 T365 H366 S367Y359-K363 HydrophobicContact CE1-CD 3.75Å; Y359-K363 HydrophobicContact CE1-CG 4.31Å; Y359-K363 HydrophobicContact CE2-CD 4.19Å; Y359-K363 HydrophobicContact CE2-CG 4.12Å; Y359-K363 PolarHBondContact O-N 3.43Å; K360-K363 PolarHBondContact O-N 2.89Å; K363-T365 PolarHBondContact O-N 3.32Å; K363-H366 PolarHBondContact O-N 3.48Å; K363-S367 PolarHBondContact O-N 2.96Å
364L84.1Confident83.5Confident20 Ų2073.2 Ų73.211%0.10537%0.371CS..Hα-helixtrans-62.8-22.9176.3-61.8175000113.2K360 N361 H362 H366 G368 E369 H382K360-L364 PolarHBondContact O-N 2.88Å; N361-L364 WeakPolarHBondContact O-CB 3.38Å; N361-L364 PolarHBondContact O-N 3.21Å; H362-L364 PolarHBondContact O-N 3.3Å; L364-H366 VanDerWaalsContact C-N 3.26Å; L364-H366 PolarHBondContact O-N 3.44Å; L364-G368 PolarHBondContact O-N 2.73Å; L364-E369 HydrophobicContact CD2-CB 4.16Å; L364-H382 PolarHBondContact O-CE1 3.37Å; L364-H382 PolarHBondContact O-ND1 3.47Å
365T82.6Confident83.4Confident74 Ų7477.4 Ų77.445%0.45439%0.394SS..Hα-helixtrans-71.9-25175.1700000112.1H362 K363H362-T365 WeakPolarHBondContact O-CB 3.38Å; H362-T365 PolarHBondContact O-N 2.97Å; H362-T365 PolarHBondContact O-OG1 3.1Å; K363-T365 PolarHBondContact O-N 3.32Å
366H82Confident83.3Confident81 Ų8178 Ų7838%0.37540%0.399SS..Hα-helixtrans-84.7-40.4177-66.3-56.8000112.3C346 C349 H362 K363 L364 G368C346-H366 VanDerWaalsContact SG-CD2 3.51Å; C346-H366 PolarHBondContact SG-NE2 3.11Å; C346-H366 VanDerWaalsContact SG-NE2 3.44Å; C349-H366 PolarHBondContact SG-NE2 3.01Å; H362-H366 AromaticContact CE1-NE2 3.43Å; H362-H366 PolarHBondContact CE1-NE2 3.23Å; H362-H366 AromaticContact NE2-CD2 3.76Å; H362-H366 AromaticContact NE2-NE2 3.18Å; H362-H366 PolarHBondContact NE2-NE2 3.31Å; H362-H366 VanDerWaalsContact NE2-NE2 3.18Å; K363-H366 PolarHBondContact O-N 3.48Å; L364-H366 VanDerWaalsContact C-N 3.26Å; L364-H366 PolarHBondContact O-N 3.44Å; H366-G368 PolarHBondContact O-N 2.87Å
367S78.5Confident83.3Confident66 Ų6673.1 Ų73.146%0.46238%0.384SS..Hα-helixtrans-77.4-8.3177.788.50000113.5K363 E369K363-S367 PolarHBondContact O-N 2.96Å; S367-E369 PolarHBondContact O-N 3.16Å; S367-E369 VanDerWaalsContact O-N 3.11Å; S367-E369 WeakPolarHBondContact OG-CB 3.45Å; S367-E369 WeakPolarHBondContact OG-CG 3.49Å; S367-E369 PolarHBondContact OG-OE1 2.97Å
368G73.3Confident83.2Confident45 Ų4577.2 Ų77.246%0.46440%0.396SS..  trans70.61.5-179.200000113.9L364 H366 K370L364-G368 PolarHBondContact O-N 2.73Å; H366-G368 PolarHBondContact O-N 2.87Å; G368-K370 PolarHBondContact O-N 3.04Å
369E74.4Confident83.1Confident101 Ų10179.4 Ų79.447%0.47240%0.401SS..  trans-64.2101.6179.4-78.1169.3-125.900111.3L364 S367 H382L364-E369 HydrophobicContact CD2-CB 4.16Å; S367-E369 PolarHBondContact O-N 3.16Å; S367-E369 VanDerWaalsContact O-N 3.11Å; S367-E369 WeakPolarHBondContact OG-CB 3.45Å; S367-E369 WeakPolarHBondContact OG-CG 3.49Å; S367-E369 PolarHBondContact OG-OE1 2.97Å; E369-H382 PolarHBondContact O-ND1 2.78Å
370K78.1Confident82.8Confident108 Ų10878.9 Ų78.947%0.4741%0.405SS..  trans-100.491.4175-70.1164.6169.9-173.80109.2G368 F372 A380 F381 H382G368-K370 PolarHBondContact O-N 3.04Å; K370-F372 VanDerWaalsContact C-N 3.29Å; K370-F372 PolarHBondContact O-N 3.23Å; K370-A380 HydrophobicContact CB-CB 3.36Å; K370-A380 HydrophobicContact CD-CB 3.91Å; K370-A380 VanDerWaalsContact CD-O 3.27Å; K370-A380 WeakPolarHBondContact CD-O 3.45Å; K370-A380 HydrophobicContact CG-CB 4.2Å; K370-F381 CarbonylContact C-O 3.38Å; K370-F381 WeakPolarHBondContact CA-O 3.48Å; K370-H382 VanDerWaalsContact CG-CE1 3.42Å; K370-H382 WeakPolarHBondContact CG-CE1 3.48Å
371Q78.8Confident82.7Confident117 Ų11774 Ų7455%0.54738%0.384SS..  trans-73.4-19.6-173.8-63.1-179.6-14.100113.4F381Q371-F381 PolarHBondContact N-O 3.03Å
372F82.3Confident82.5Confident61 Ų6173.4 Ų73.427%0.26838%0.38SS..EExtended strand (participates in β ladder)trans-113.4103.6-172.5-56.1-71.4000110.6K370 A380 F381 H382 V384 L387K370-F372 VanDerWaalsContact C-N 3.29Å; K370-F372 PolarHBondContact O-N 3.23Å; F372-A380 CarbonylContact O-C 3.54Å; F372-A380 WeakPolarHBondContact O-CA 3.49Å; F372-F381 HydrophobicContact CB-CB 4.49Å; F372-F381 PolarHBondContact N-O 3.24Å; F372-F381 PolarHBondContact O-N 3.3Å; F372-H382 WeakPolarHBondContact CE2-O 3.46Å; F372-V384 HydrophobicContact CD1-CG2 3.6Å; F372-V384 HydrophobicContact CD2-CG2 4.27Å; F372-V384 HydrophobicContact CE1-CG2 3.24Å; F372-V384 HydrophobicContact CE2-CG2 3.95Å; F372-V384 HydrophobicContact CG-CG2 4.11Å; F372-V384 HydrophobicContact CZ-CG2 3.43Å; F372-V384 VanDerWaalsContact CZ-CG2 3.43Å; F372-L387 HydrophobicContact CB-CB 4.2Å; F372-L387 HydrophobicContact CB-CD2 3.92Å
373K85.5Confident82.2Confident125 Ų12574.5 Ų74.554%0.54338%0.384SS..EExtended strand (participates in β ladder)trans-95.6140.2180-60-176.3-178.2-1790111.1A380K373-A380 HydrophobicContact CG-CB 3.92Å
374C88.8Confident82.2Confident1 Ų174.7 Ų74.71%0.00739%0.392CS..  trans-70.5130.3166.3174.70000109.7I376 C377 N378 K379 L387 H390 M391 H394C374-I376 VanDerWaalsContact C-N 3.33Å; C374-I376 PolarHBondContact SG-N 3.08Å; C374-C377 PolarHBondContact SG-N 2.75Å; C374-C377 VanDerWaalsContact SG-SG 3.66Å; C374-N378 WeakPolarHBondContact O-CA 3.44Å; C374-N378 PolarHBondContact O-N 3.45Å; C374-K379 WeakPolarHBondContact CB-O 3.45Å; C374-K379 PolarHBondContact N-O 2.8Å; C374-L387 HydrophobicContact CB-CD1 3.94Å; C374-H390 PolarHBondContact SG-NE2 3.46Å; C374-M391 HydrophobicContact CB-CE 3.65Å; C374-M391 WeakPolarHBondContact SG-CE 3.47Å; C374-H394 PolarHBondContact SG-NE2 3.41Å; C374-H394 VanDerWaalsContact SG-NE2 3.39Å
375N84.9Confident82.1Confident132 Ų13279.2 Ų79.271%0.70641%0.408SS*.THydrogen-bonded Turntrans-73.8-21.6175.558.2-19.1000113.6
376I85.8Confident82.2Confident96 Ų9678.3 Ų78.349%0.49240%0.401SS..THydrogen-bonded Turntrans-89-51.2-177.5-61.5168.5000111.2C374 H394C374-I376 VanDerWaalsContact C-N 3.33Å; C374-I376 PolarHBondContact SG-N 3.08Å; I376-H394 HydrophobicContact CD1-CB 3.46Å; I376-H394 VanDerWaalsContact CD1-CB 3.46Å; I376-H394 HydrophobicContact CG2-CB 4.43Å
377C86.9Confident82.4Confident47 Ų4775.6 Ų75.632%0.31839%0.389SS..THydrogen-bonded Turntrans-118.713.4-174.778.60000114.1C374 K379 H390 H394C374-C377 PolarHBondContact SG-N 2.75Å; C374-C377 VanDerWaalsContact SG-SG 3.66Å; C377-K379 PolarHBondContact O-N 3.14Å; C377-K379 VanDerWaalsContact SG-CG 3.54Å; C377-H390 PolarHBondContact SG-CE1 2.94Å; C377-H390 PolarHBondContact SG-NE2 3.18Å; C377-H394 VanDerWaalsContact SG-CE1 3.57Å; C377-H394 PolarHBondContact SG-NE2 2.68Å; C377-H394 VanDerWaalsContact SG-NE2 3.38Å
378N83.3Confident82.8Confident125 Ų12575.7 Ų75.767%0.66839%0.387SS*.  trans55.89.9176.8-71-50.2000116.5C374 A380C374-N378 WeakPolarHBondContact O-CA 3.44Å; C374-N378 PolarHBondContact O-N 3.45Å; N378-A380 PolarHBondContact O-N 3.3Å
379K84.1Confident83.1Confident130 Ų13077 Ų7757%0.56538%0.38SS*.  trans-66.9130.6175.5-73.5-176.6-173.9-164.60109.8C374 C377 F381C374-K379 WeakPolarHBondContact CB-O 3.45Å; C374-K379 PolarHBondContact N-O 2.8Å; C377-K379 PolarHBondContact O-N 3.14Å; C377-K379 VanDerWaalsContact SG-CG 3.54Å; K379-F381 HydrophobicContact CB-CE2 3.92Å; K379-F381 HydrophobicContact CB-CZ 4.07Å; K379-F381 WeakPolarHBondContact O-CD2 3.41Å; K379-F381 VanDerWaalsContact O-CE2 3.31Å; K379-F381 WeakPolarHBondContact O-CE2 3.2Å
380A84.4Confident83.6Confident28 Ų2873.3 Ų73.323%0.23136%0.362CS..EExtended strand (participates in β ladder)trans-104.6141.4-175.900000111.3K370 F372 K373 N378K370-A380 HydrophobicContact CB-CB 3.36Å; K370-A380 HydrophobicContact CD-CB 3.91Å; K370-A380 VanDerWaalsContact CD-O 3.27Å; K370-A380 WeakPolarHBondContact CD-O 3.45Å; K370-A380 HydrophobicContact CG-CB 4.2Å; F372-A380 CarbonylContact O-C 3.54Å; F372-A380 WeakPolarHBondContact O-CA 3.49Å; K373-A380 HydrophobicContact CG-CB 3.92Å; N378-A380 PolarHBondContact O-N 3.3Å
381F82.9Confident83.9Confident45 Ų4569.9 Ų69.920%0.19735%0.349CS..EExtended strand (participates in β ladder)trans-129153.9-176.2-58.2-89.4000110.7K370 Q371 F372 K379 N386 L387 H390K370-F381 CarbonylContact C-O 3.38Å; K370-F381 WeakPolarHBondContact CA-O 3.48Å; Q371-F381 PolarHBondContact N-O 3.03Å; F372-F381 HydrophobicContact CB-CB 4.49Å; F372-F381 PolarHBondContact N-O 3.24Å; F372-F381 PolarHBondContact O-N 3.3Å; K379-F381 HydrophobicContact CB-CE2 3.92Å; K379-F381 HydrophobicContact CB-CZ 4.07Å; K379-F381 WeakPolarHBondContact O-CD2 3.41Å; K379-F381 VanDerWaalsContact O-CE2 3.31Å; K379-F381 WeakPolarHBondContact O-CE2 3.2Å; F381-N386 HydrophobicContact CB-CB 4.13Å; F381-N386 HydrophobicContact CD1-CB 3.84Å; F381-N386 HydrophobicContact CG-CB 4.2Å; F381-L387 HydrophobicContact CD2-CB 4.09Å; F381-L387 HydrophobicContact CD2-CD1 3.91Å; F381-L387 HydrophobicContact CE2-CD1 4.09Å; F381-L387 HydrophobicContact CG-CB 4.5Å; F381-H390 HydrophobicContact CE1-CB 4.08Å; F381-H390 HydrophobicContact CE2-CB 3.87Å; F381-H390 AromaticContact CE2-CD2 3.23Å; F381-H390 WeakPolarHBondContact CE2-CD2 3.47Å; F381-H390 AromaticContact CE2-CG 3.63Å; F381-H390 AromaticContact CE2-NE2 3.99Å; F381-H390 HydrophobicContact CZ-CB 3.46Å; F381-H390 VanDerWaalsContact CZ-CB 3.46Å; F381-H390 AromaticContact CZ-CD2 3.37Å; F381-H390 WeakPolarHBondContact CZ-CD2 3.23Å; F381-H390 AromaticContact CZ-CG 3.28Å; F381-H390 AromaticContact CZ-ND1 3.95Å
382H80.1Confident84.1Confident39 Ų3966.2 Ų66.218%0.18133%0.331CS..SBendtrans-81.9-16.2176.7-58-73000113.5L364 E369 K370 F372L364-H382 PolarHBondContact O-CE1 3.37Å; L364-H382 PolarHBondContact O-ND1 3.47Å; E369-H382 PolarHBondContact O-ND1 2.78Å; K370-H382 VanDerWaalsContact CG-CE1 3.42Å; K370-H382 WeakPolarHBondContact CG-CE1 3.48Å; F372-H382 WeakPolarHBondContact CE2-O 3.46Å
383Q81.5Confident84.1Confident48 Ų4866.7 Ų66.722%0.22434%0.34CS..SBendtrans-138.7142-175.1-52.2-16657.100111.5N361 Y385 N386 L387N361-Q383 PolarHBondContact ND2-OE1 3.44Å; Q383-Y385 VanDerWaalsContact C-N 3.32Å; Q383-Y385 HydrophobicContact CB-CD1 3.74Å; Q383-Y385 HydrophobicContact CB-CE1 3.63Å; Q383-Y385 HydrophobicContact CG-CE1 4.04Å; Q383-Y385 PolarHBondContact NE2-OH 3.02Å; Q383-Y385 PolarHBondContact O-N 2.93Å; Q383-N386 WeakPolarHBondContact O-CB 3.34Å; Q383-N386 PolarHBondContact O-N 2.8Å; Q383-N386 VanDerWaalsContact O-N 3.17Å; Q383-L387 PolarHBondContact O-N 2.75Å
384V83.5Confident83.8Confident79 Ų7963.7 Ų63.748%0.47933%0.327SS..Hα-helixtrans-57.6-42.8179.6-179.70000111.8F372 N386 L387 T388F372-V384 HydrophobicContact CD1-CG2 3.6Å; F372-V384 HydrophobicContact CD2-CG2 4.27Å; F372-V384 HydrophobicContact CE1-CG2 3.24Å; F372-V384 HydrophobicContact CE2-CG2 3.95Å; F372-V384 HydrophobicContact CG-CG2 4.11Å; F372-V384 HydrophobicContact CZ-CG2 3.43Å; F372-V384 VanDerWaalsContact CZ-CG2 3.43Å; V384-N386 PolarHBondContact O-N 3.41Å; V384-L387 CarbonylContact O-C 3.35Å; V384-L387 WeakPolarHBondContact O-CA 3.39Å; V384-L387 WeakPolarHBondContact O-CB 3.37Å; V384-L387 PolarHBondContact O-N 3.39Å; V384-T388 PolarHBondContact O-N 3.44Å; V384-T388 PolarHBondContact O-OG1 3.12Å; V384-T388 VanDerWaalsContact O-OG1 3.11Å
385Y82.8Confident83.3Confident115 Ų11567.7 Ų67.745%0.45135%0.348SS..Hα-helixtrans-62.5-34.3-178.377.7-102.7000112Q383 L387 T388 F389Q383-Y385 VanDerWaalsContact C-N 3.32Å; Q383-Y385 HydrophobicContact CB-CD1 3.74Å; Q383-Y385 HydrophobicContact CB-CE1 3.63Å; Q383-Y385 HydrophobicContact CG-CE1 4.04Å; Q383-Y385 PolarHBondContact NE2-OH 3.02Å; Q383-Y385 PolarHBondContact O-N 2.93Å; Y385-L387 VanDerWaalsContact C-N 3.35Å; Y385-T388 PolarHBondContact O-N 3.36Å; Y385-F389 AromaticContact CD2-CD2 3.94Å; Y385-F389 HydrophobicContact CD2-CD2 3.94Å; Y385-F389 AromaticContact CD2-CE2 3.94Å; Y385-F389 HydrophobicContact CD2-CE2 3.94Å; Y385-F389 WeakPolarHBondContact O-CD2 3.29Å; Y385-F389 PolarHBondContact O-N 3.12Å
386N84.4Confident82.7Confident55 Ų5567.2 Ų67.229%0.29435%0.346SS..Hα-helixtrans-66.8-40.5175.7-73.7-41.4000110.7F381 Q383 V384 F389 H390F381-N386 HydrophobicContact CB-CB 4.13Å; F381-N386 HydrophobicContact CD1-CB 3.84Å; F381-N386 HydrophobicContact CG-CB 4.2Å; Q383-N386 WeakPolarHBondContact O-CB 3.34Å; Q383-N386 PolarHBondContact O-N 2.8Å; Q383-N386 VanDerWaalsContact O-N 3.17Å; V384-N386 PolarHBondContact O-N 3.41Å; N386-F389 PolarHBondContact O-N 3.38Å; N386-H390 VanDerWaalsContact O-CB 3.28Å; N386-H390 WeakPolarHBondContact O-CB 3.22Å; N386-H390 PolarHBondContact O-N 3.44Å
387L86.6Confident82.2Confident25 Ų2569.1 Ų69.113%0.13135%0.351CS..Hα-helixtrans-62.2-45.7173175.363.6000111F372 C374 F381 Q383 V384 Y385 F389 H390 M391F372-L387 HydrophobicContact CB-CB 4.2Å; F372-L387 HydrophobicContact CB-CD2 3.92Å; C374-L387 HydrophobicContact CB-CD1 3.94Å; F381-L387 HydrophobicContact CD2-CB 4.09Å; F381-L387 HydrophobicContact CD2-CD1 3.91Å; F381-L387 HydrophobicContact CE2-CD1 4.09Å; F381-L387 HydrophobicContact CG-CB 4.5Å; Q383-L387 PolarHBondContact O-N 2.75Å; V384-L387 CarbonylContact O-C 3.35Å; V384-L387 WeakPolarHBondContact O-CA 3.39Å; V384-L387 WeakPolarHBondContact O-CB 3.37Å; V384-L387 PolarHBondContact O-N 3.39Å; Y385-L387 VanDerWaalsContact C-N 3.35Å; L387-F389 PolarHBondContact O-N 3.11Å; L387-H390 CarbonylContact O-C 3.6Å; L387-H390 WeakPolarHBondContact O-CA 3.41Å; L387-H390 WeakPolarHBondContact O-CB 3.43Å; L387-H390 PolarHBondContact O-N 3.37Å; L387-H390 VanDerWaalsContact O-N 3.14Å; L387-M391 HydrophobicContact CD1-CE 3.5Å; L387-M391 VanDerWaalsContact CD1-CE 3.5Å; L387-M391 HydrophobicContact CD1-SD 4.36Å; L387-M391 HydrophobicContact CG-CE 4.45Å; L387-M391 WeakPolarHBondContact O-CG 3.22Å; L387-M391 PolarHBondContact O-N 3.4Å
388T85.9Confident82Confident68 Ų6872 Ų7242%0.41736%0.358SS..Hα-helixtrans-59.4-46.1177.6-52.20000112V384 Y385 H390 M391 H392V384-T388 PolarHBondContact O-N 3.44Å; V384-T388 PolarHBondContact O-OG1 3.12Å; V384-T388 VanDerWaalsContact O-OG1 3.11Å; Y385-T388 PolarHBondContact O-N 3.36Å; T388-H390 VanDerWaalsContact C-N 3.29Å; T388-H390 PolarHBondContact O-N 3.18Å; T388-M391 WeakPolarHBondContact O-CB 3.49Å; T388-M391 PolarHBondContact O-N 3.4Å; T388-M391 VanDerWaalsContact O-N 3.1Å; T388-H392 PolarHBondContact O-N 2.78Å
389F81.3Confident81.9Confident71 Ų7169.5 Ų69.531%0.31135%0.349SS..Hα-helixtrans-65.6-34.3175.3-73.6-58.7000112.8Y385 N386 L387 M391 H392 F400 C410 R411Y385-F389 AromaticContact CD2-CD2 3.94Å; Y385-F389 HydrophobicContact CD2-CD2 3.94Å; Y385-F389 AromaticContact CD2-CE2 3.94Å; Y385-F389 HydrophobicContact CD2-CE2 3.94Å; Y385-F389 WeakPolarHBondContact O-CD2 3.29Å; Y385-F389 PolarHBondContact O-N 3.12Å; N386-F389 PolarHBondContact O-N 3.38Å; L387-F389 PolarHBondContact O-N 3.11Å; F389-M391 VanDerWaalsContact C-N 3.31Å; F389-H392 AromaticContact CD1-ND1 3.86Å; F389-H392 WeakPolarHBondContact O-CB 3.49Å; F389-H392 PolarHBondContact O-N 3.46Å; F389-F400 HydrophobicContact CE1-CE2 4.37Å; F389-C410 WeakPolarHBondContact CD1-O 3.4Å; F389-R411 HydrophobicContact CB-CG 4.26Å; F389-R411 HydrophobicContact CD1-CG 3.9Å; F389-R411 HydrophobicContact CE1-CG 4.45Å; F389-R411 HydrophobicContact CG-CG 4.05Å
390H84.9Confident81.9Confident24 Ų2466.2 Ų66.211%0.11133%0.334CS..Hα-helixtrans-67.1-33171.9173.255.6000111.9C374 C377 F381 N386 L387 T388 H392 T393 H394C374-H390 PolarHBondContact SG-NE2 3.46Å; C377-H390 PolarHBondContact SG-CE1 2.94Å; C377-H390 PolarHBondContact SG-NE2 3.18Å; F381-H390 HydrophobicContact CE1-CB 4.08Å; F381-H390 HydrophobicContact CE2-CB 3.87Å; F381-H390 AromaticContact CE2-CD2 3.23Å; F381-H390 WeakPolarHBondContact CE2-CD2 3.47Å; F381-H390 AromaticContact CE2-CG 3.63Å; F381-H390 AromaticContact CE2-NE2 3.99Å; F381-H390 HydrophobicContact CZ-CB 3.46Å; F381-H390 VanDerWaalsContact CZ-CB 3.46Å; F381-H390 AromaticContact CZ-CD2 3.37Å; F381-H390 WeakPolarHBondContact CZ-CD2 3.23Å; F381-H390 AromaticContact CZ-CG 3.28Å; F381-H390 AromaticContact CZ-ND1 3.95Å; N386-H390 VanDerWaalsContact O-CB 3.28Å; N386-H390 WeakPolarHBondContact O-CB 3.22Å; N386-H390 PolarHBondContact O-N 3.44Å; L387-H390 CarbonylContact O-C 3.6Å; L387-H390 WeakPolarHBondContact O-CA 3.41Å; L387-H390 WeakPolarHBondContact O-CB 3.43Å; L387-H390 PolarHBondContact O-N 3.37Å; L387-H390 VanDerWaalsContact O-N 3.14Å; T388-H390 VanDerWaalsContact C-N 3.29Å; T388-H390 PolarHBondContact O-N 3.18Å; H390-H392 PolarHBondContact O-N 3.07Å; H390-T393 PolarHBondContact ND1-OG1 3.08Å; H390-T393 WeakPolarHBondContact O-CB 3.39Å; H390-T393 PolarHBondContact O-N 3.2Å; H390-T393 PolarHBondContact O-OG1 3.04Å; H390-H394 AromaticContact CE1-CE1 3.93Å; H390-H394 AromaticContact CE1-NE2 3.22Å; H390-H394 PolarHBondContact CE1-NE2 3.15Å; H390-H394 AromaticContact NE2-CD2 3.92Å; H390-H394 AromaticContact NE2-NE2 3.12Å; H390-H394 PolarHBondContact NE2-NE2 3.06Å; H390-H394 VanDerWaalsContact NE2-NE2 3.12Å
391M83.4Confident82.1Confident36 Ų3669 Ų6918%0.17735%0.349CS..Hα-helixtrans-63.2-30.4175.9-68.9-51.487.500112.1C374 L387 T388 F389 T393 H394 N395C374-M391 HydrophobicContact CB-CE 3.65Å; C374-M391 WeakPolarHBondContact SG-CE 3.47Å; L387-M391 HydrophobicContact CD1-CE 3.5Å; L387-M391 VanDerWaalsContact CD1-CE 3.5Å; L387-M391 HydrophobicContact CD1-SD 4.36Å; L387-M391 HydrophobicContact CG-CE 4.45Å; L387-M391 WeakPolarHBondContact O-CG 3.22Å; L387-M391 PolarHBondContact O-N 3.4Å; T388-M391 WeakPolarHBondContact O-CB 3.49Å; T388-M391 PolarHBondContact O-N 3.4Å; T388-M391 VanDerWaalsContact O-N 3.1Å; F389-M391 VanDerWaalsContact C-N 3.31Å; M391-T393 PolarHBondContact O-N 3.5Å; M391-H394 PolarHBondContact O-N 3.16Å; M391-H394 VanDerWaalsContact O-N 3.11Å; M391-N395 PolarHBondContact O-N 3.49Å; M391-N395 PolarHBondContact O-ND2 3.43Å
392H83.8Confident82.4Confident40 Ų4067 Ų6719%0.18534%0.34CS..THydrogen-bonded Turntrans-62.6-21.2173.3-63145.2000113.4T388 F389 H390 H394 D396 K397 C410T388-H392 PolarHBondContact O-N 2.78Å; F389-H392 AromaticContact CD1-ND1 3.86Å; F389-H392 WeakPolarHBondContact O-CB 3.49Å; F389-H392 PolarHBondContact O-N 3.46Å; H390-H392 PolarHBondContact O-N 3.07Å; H392-H394 VanDerWaalsContact C-N 3.33Å; H392-D396 PolarHBondContact O-N 3.14Å; H392-K397 WeakPolarHBondContact CB-O 3.36Å; H392-C410 HydrophobicContact CB-CB 3.97Å
393T80.5Confident82.7Confident72 Ų7270.8 Ų70.844%0.44237%0.368SS..THydrogen-bonded Turntrans-77-20.3175.471.60000113.2H390 M391H390-T393 PolarHBondContact ND1-OG1 3.08Å; H390-T393 WeakPolarHBondContact O-CB 3.39Å; H390-T393 PolarHBondContact O-N 3.2Å; H390-T393 PolarHBondContact O-OG1 3.04Å; M391-T393 PolarHBondContact O-N 3.5Å
394H80.8Confident82.9Confident62 Ų6273 Ų7329%0.28739%0.385SS..THydrogen-bonded Turntrans-95.7-24.7177.3-62-62000113.1C374 I376 C377 H390 M391 H392C374-H394 PolarHBondContact SG-NE2 3.41Å; C374-H394 VanDerWaalsContact SG-NE2 3.39Å; I376-H394 HydrophobicContact CD1-CB 3.46Å; I376-H394 VanDerWaalsContact CD1-CB 3.46Å; I376-H394 HydrophobicContact CG2-CB 4.43Å; C377-H394 VanDerWaalsContact SG-CE1 3.57Å; C377-H394 PolarHBondContact SG-NE2 2.68Å; C377-H394 VanDerWaalsContact SG-NE2 3.38Å; H390-H394 AromaticContact CE1-CE1 3.93Å; H390-H394 AromaticContact CE1-NE2 3.22Å; H390-H394 PolarHBondContact CE1-NE2 3.15Å; H390-H394 AromaticContact NE2-CD2 3.92Å; H390-H394 AromaticContact NE2-NE2 3.12Å; H390-H394 PolarHBondContact NE2-NE2 3.06Å; H390-H394 VanDerWaalsContact NE2-NE2 3.12Å; M391-H394 PolarHBondContact O-N 3.16Å; M391-H394 VanDerWaalsContact O-N 3.11Å; H392-H394 VanDerWaalsContact C-N 3.33Å
395N78.6Confident83.2Confident84 Ų8471.5 Ų71.545%0.44938%0.378SS..SBendtrans-96.71.1-177-70.1-91.5000112.7M391 K397M391-N395 PolarHBondContact O-N 3.49Å; M391-N395 PolarHBondContact O-ND2 3.43Å; N395-K397 HydrophobicContact CB-CB 4.4Å; N395-K397 HydrophobicContact CB-CD 4.13Å; N395-K397 HydrophobicContact CB-CG 4.03Å; N395-K397 PolarHBondContact O-N 2.92Å
396D71.9Confident83.2Confident123 Ų12368.6 Ų68.666%0.65838%0.383SS*.  trans48.711.9-169.7-69.2-54.9000115.9H392 K398H392-D396 PolarHBondContact O-N 3.14Å; D396-K398 PolarHBondContact O-N 3.33Å
397K75.1Confident83.3Confident135 Ų13571.9 Ų71.959%0.58739%0.394SS*.  trans-69.7103.4175.4-70.9179.9-175.8179.90107.3H392 N395 P399H392-K397 WeakPolarHBondContact CB-O 3.36Å; N395-K397 HydrophobicContact CB-CB 4.4Å; N395-K397 HydrophobicContact CB-CD 4.13Å; N395-K397 HydrophobicContact CB-CG 4.03Å; N395-K397 PolarHBondContact O-N 2.92Å; K397-P399 VanDerWaalsContact O-CD 3.23Å; K397-P399 WeakPolarHBondContact O-CD 3.37Å
398K81.6Confident83.3Confident109 Ų10971.8 Ų71.847%0.47440%0.399SS..  trans-101.687.8173.4-71.4166.4-177.5-177.30108.1D396 F400 G408 F409D396-K398 PolarHBondContact O-N 3.33Å; K398-F400 PolarHBondContact O-N 2.96Å; K398-F400 VanDerWaalsContact O-N 3.15Å; K398-G408 WeakPolarHBondContact CD-O 3.42Å; K398-F409 CarbonylContact C-O 3.44Å
399P81.8Confident83.2Confident72 Ų7270.4 Ų70.447%0.46839%0.388SS..  trans-71.7-13.5-170.2-12.330.5000112.3K397 F409K397-P399 VanDerWaalsContact O-CD 3.23Å; K397-P399 WeakPolarHBondContact O-CD 3.37Å; P399-F409 WeakPolarHBondContact CD-O 3.41Å
400F84.6Confident83.2Confident60 Ų6068.3 Ų68.326%0.26338%0.381SS..EExtended strand (participates in β ladder)trans-114.5101-175.9-55.9-73.6000109.4F389 K398 G408 F409 N412 L415F389-F400 HydrophobicContact CE1-CE2 4.37Å; K398-F400 PolarHBondContact O-N 2.96Å; K398-F400 VanDerWaalsContact O-N 3.15Å; F400-G408 CarbonylContact O-C 3.53Å; F400-F409 HydrophobicContact CB-CB 4.4Å; F400-F409 PolarHBondContact N-O 2.88Å; F400-F409 PolarHBondContact O-N 3.17Å; F400-N412 HydrophobicContact CD1-CB 3.95Å; F400-N412 HydrophobicContact CD2-CB 4.44Å; F400-N412 HydrophobicContact CE1-CB 3.82Å; F400-N412 HydrophobicContact CE2-CB 4.32Å; F400-N412 HydrophobicContact CG-CB 4.26Å; F400-N412 HydrophobicContact CZ-CB 4.01Å; F400-L415 HydrophobicContact CB-CB 4.25Å; F400-L415 HydrophobicContact CB-CD2 3.9Å
401T87.8Confident83.1Confident88 Ų8872.9 Ų72.954%0.5440%0.398SS..EExtended strand (participates in β ladder)trans-95.1142.1174.948.60000110.2P403T401-P403 WeakPolarHBondContact O-CD 3.32Å
402C90.5Very high83.2Confident2 Ų274.1 Ų74.11%0.01441%0.405CS..  trans-72.3122.3170.1-175.20000109.1T404 C405 G406 K407 F409 L415 H418 H423C402-T404 PolarHBondContact O-N 3.38Å; C402-C405 VanDerWaalsContact SG-SG 3.66Å; C402-G406 VanDerWaalsContact O-CA 3.23Å; C402-G406 WeakPolarHBondContact O-CA 3.36Å; C402-G406 PolarHBondContact O-N 3.26Å; C402-K407 PolarHBondContact N-O 3.07Å; C402-F409 HydrophobicContact CB-CE2 4.25Å; C402-L415 VanDerWaalsContact CA-CD1 3.49Å; C402-L415 HydrophobicContact CB-CD1 3.67Å; C402-H418 PolarHBondContact SG-NE2 3.41Å; C402-H418 VanDerWaalsContact SG-NE2 3.39Å; C402-H423 PolarHBondContact SG-CD2 3.46Å
403P85.3Confident83.4Confident119 Ų11978.4 Ų78.477%0.77342%0.424SS*.THydrogen-bonded Turntrans-66.4-25.8177.726.1-32.6000112.2T401T401-P403 WeakPolarHBondContact O-CD 3.32Å
404T85.9Confident83.7Confident93 Ų9377 Ų7757%0.57141%0.413SS*.THydrogen-bonded Turntrans-85-33.7-175.9-43.30000113.5C402 H423C402-T404 PolarHBondContact O-N 3.38Å; T404-H423 HydrophobicContact CG2-CB 4.37Å; T404-H423 WeakPolarHBondContact CG2-ND1 3.18Å
405C89.2Confident84.1Confident49 Ų4975 Ų7533%0.33141%0.405SS..THydrogen-bonded Turntrans-1317-176.473.20000114.9C402 K407 H418 H423C402-C405 VanDerWaalsContact SG-SG 3.66Å; C405-K407 PolarHBondContact O-N 3.45Å; C405-H418 PolarHBondContact SG-CE1 3.19Å; C405-H418 PolarHBondContact SG-NE2 3.07Å; C405-H423 PolarHBondContact SG-NE2 2.87Å; C405-H423 VanDerWaalsContact SG-NE2 3.37Å
406G83.9Confident84.5Confident54 Ų5477 Ų7756%0.55741%0.409SS*.  trans69.6-6.6177.900000115.8C402 G408C402-G406 VanDerWaalsContact O-CA 3.23Å; C402-G406 WeakPolarHBondContact O-CA 3.36Å; C402-G406 PolarHBondContact O-N 3.26Å; G406-G408 PolarHBondContact O-N 2.75Å
407K86.4Confident85.3Confident123 Ų12375.7 Ų75.754%0.53540%0.398SS..  trans-63.2125.6-178-70.2-178.6-177.81790111.3C402 C405 F409C402-K407 PolarHBondContact N-O 3.07Å; C405-K407 PolarHBondContact O-N 3.45Å; K407-F409 HydrophobicContact CB-CE2 3.9Å; K407-F409 HydrophobicContact CB-CZ 4.05Å; K407-F409 VanDerWaalsContact O-CD2 3.28Å; K407-F409 WeakPolarHBondContact O-CD2 3.4Å; K407-F409 WeakPolarHBondContact O-CE2 3.15Å
408G86.1Confident86Confident23 Ų2370.1 Ų70.124%0.23737%0.374CS..EExtended strand (participates in β ladder)trans-85.8142.7177.400000113.3K398 F400 G406K398-G408 WeakPolarHBondContact CD-O 3.42Å; F400-G408 CarbonylContact O-C 3.53Å; G406-G408 PolarHBondContact O-N 2.75Å
409F83.6Confident86.4Confident40 Ų4067.1 Ų67.118%0.17536%0.364CS..EExtended strand (participates in β ladder)trans-131.3146.5178.6-59.8-87.2000111.2K398 P399 F400 C402 K407 D414 L415 H418K398-F409 CarbonylContact C-O 3.44Å; P399-F409 WeakPolarHBondContact CD-O 3.41Å; F400-F409 HydrophobicContact CB-CB 4.4Å; F400-F409 PolarHBondContact N-O 2.88Å; F400-F409 PolarHBondContact O-N 3.17Å; C402-F409 HydrophobicContact CB-CE2 4.25Å; K407-F409 HydrophobicContact CB-CE2 3.9Å; K407-F409 HydrophobicContact CB-CZ 4.05Å; K407-F409 VanDerWaalsContact O-CD2 3.28Å; K407-F409 WeakPolarHBondContact O-CD2 3.4Å; K407-F409 WeakPolarHBondContact O-CE2 3.15Å; F409-D414 HydrophobicContact CB-CB 4.4Å; F409-D414 HydrophobicContact CD1-CB 3.93Å; F409-D414 HydrophobicContact CG-CB 4.45Å; F409-L415 HydrophobicContact CB-CB 4.24Å; F409-L415 HydrophobicContact CD2-CB 3.85Å; F409-L415 HydrophobicContact CD2-CD1 3.78Å; F409-L415 HydrophobicContact CD2-CG 4.41Å; F409-L415 HydrophobicContact CE2-CD1 3.91Å; F409-L415 HydrophobicContact CG-CB 4.16Å; F409-H418 HydrophobicContact CE1-CB 3.94Å; F409-H418 HydrophobicContact CE2-CB 4.05Å; F409-H418 AromaticContact CE2-CD2 3.61Å; F409-H418 AromaticContact CE2-CG 3.76Å; F409-H418 HydrophobicContact CZ-CB 3.48Å; F409-H418 VanDerWaalsContact CZ-CB 3.48Å; F409-H418 AromaticContact CZ-CD2 3.63Å; F409-H418 AromaticContact CZ-CG 3.27Å; F409-H418 AromaticContact CZ-ND1 3.61Å
410C82.1Confident86.7Confident26 Ų2670.7 Ų70.718%0.17637%0.368CS..SBendtrans-80.3-17.9177.3-56.10000113F389 H392F389-C410 WeakPolarHBondContact CD1-O 3.4Å; H392-C410 HydrophobicContact CB-CB 3.97Å
411R82.4Confident86.8Confident120 Ų12075 Ų7545%0.45339%0.387SS..SBendtrans-133139.8179.7-57.7-180-64.9-173.21.6111F389 F413 D414 L415F389-R411 HydrophobicContact CB-CG 4.26Å; F389-R411 HydrophobicContact CD1-CG 3.9Å; F389-R411 HydrophobicContact CE1-CG 4.45Å; F389-R411 HydrophobicContact CG-CG 4.05Å; R411-F413 VanDerWaalsContact C-N 3.26Å; R411-F413 PolarHBondContact O-N 2.99Å; R411-D414 WeakPolarHBondContact CB-OD2 3.44Å; R411-D414 IonicContact CZ-OD1 3.79Å; R411-D414 IonicContact CZ-OD2 2.71Å; R411-D414 IonicContact NE-OD1 3.22Å; R411-D414 IonicContact NE-OD2 2.95Å; R411-D414 PolarHBondContact NE-OD2 2.91Å; R411-D414 VanDerWaalsContact NH2-CG 3.32Å; R411-D414 IonicContact NH2-OD1 3.21Å; R411-D414 PolarHBondContact NH2-OD1 2.98Å; R411-D414 IonicContact NH2-OD2 3.71Å; R411-D414 PolarHBondContact NH2-OD2 3.49Å; R411-D414 PolarHBondContact O-N 3.42Å; R411-D414 VanDerWaalsContact O-N 3.14Å; R411-L415 PolarHBondContact O-N 3.16Å
412N85.8Confident86.7Confident63 Ų6376 Ų7634%0.33739%0.389SS..Hα-helixtrans-61.2-33.9175.9-170.5-70.4000112.5F400 D414 L415 K416F400-N412 HydrophobicContact CD1-CB 3.95Å; F400-N412 HydrophobicContact CD2-CB 4.44Å; F400-N412 HydrophobicContact CE1-CB 3.82Å; F400-N412 HydrophobicContact CE2-CB 4.32Å; F400-N412 HydrophobicContact CG-CB 4.26Å; F400-N412 HydrophobicContact CZ-CB 4.01Å; N412-D414 VanDerWaalsContact C-N 3.31Å; N412-D414 PolarHBondContact O-N 3.07Å; N412-L415 PolarHBondContact O-N 3Å; N412-K416 PolarHBondContact O-N 2.89Å; N412-K416 VanDerWaalsContact OD1-CD 3.32Å; N412-K416 WeakPolarHBondContact OD1-CD 3.4Å; N412-K416 WeakPolarHBondContact OD1-CE 3.47Å; N412-K416 WeakPolarHBondContact OD1-CG 3.37Å
413F86.8Confident86.3Confident130 Ų13078.4 Ų78.457%0.5740%0.399SS*.Hα-helixtrans-60.2-40.8175.8177.9-96.1000112.4R411 K416 K417R411-F413 VanDerWaalsContact C-N 3.26Å; R411-F413 PolarHBondContact O-N 2.99Å; F413-K416 PolarHBondContact O-N 3Å; F413-K417 HydrophobicContact CE1-CD 4.47Å; F413-K417 WeakPolarHBondContact O-CB 3.34Å; F413-K417 PolarHBondContact O-N 3.32Å
414D87.2Confident85.9Confident41 Ų4176.8 Ų76.822%0.21939%0.385CS..Hα-helixtrans-69-41178.7-61.3-37000110.5F409 R411 N412 K417 H418F409-D414 HydrophobicContact CB-CB 4.4Å; F409-D414 HydrophobicContact CD1-CB 3.93Å; F409-D414 HydrophobicContact CG-CB 4.45Å; R411-D414 WeakPolarHBondContact CB-OD2 3.44Å; R411-D414 IonicContact CZ-OD1 3.79Å; R411-D414 IonicContact CZ-OD2 2.71Å; R411-D414 IonicContact NE-OD1 3.22Å; R411-D414 IonicContact NE-OD2 2.95Å; R411-D414 PolarHBondContact NE-OD2 2.91Å; R411-D414 VanDerWaalsContact NH2-CG 3.32Å; R411-D414 IonicContact NH2-OD1 3.21Å; R411-D414 PolarHBondContact NH2-OD1 2.98Å; R411-D414 IonicContact NH2-OD2 3.71Å; R411-D414 PolarHBondContact NH2-OD2 3.49Å; R411-D414 PolarHBondContact O-N 3.42Å; R411-D414 VanDerWaalsContact O-N 3.14Å; N412-D414 VanDerWaalsContact C-N 3.31Å; N412-D414 PolarHBondContact O-N 3.07Å; D414-K417 PolarHBondContact O-N 3.42Å; D414-H418 VanDerWaalsContact O-CB 3.3Å; D414-H418 WeakPolarHBondContact O-CB 3.45Å; D414-H418 PolarHBondContact O-N 2.94Å
415L89.1Confident84.8Confident22 Ų2275.8 Ų75.812%0.11538%0.381CS..Hα-helixtrans-57.8-50.9171.2171.262000111.3F400 C402 F409 R411 N412 K417 H418 V419F400-L415 HydrophobicContact CB-CB 4.25Å; F400-L415 HydrophobicContact CB-CD2 3.9Å; C402-L415 VanDerWaalsContact CA-CD1 3.49Å; C402-L415 HydrophobicContact CB-CD1 3.67Å; F409-L415 HydrophobicContact CB-CB 4.24Å; F409-L415 HydrophobicContact CD2-CB 3.85Å; F409-L415 HydrophobicContact CD2-CD1 3.78Å; F409-L415 HydrophobicContact CD2-CG 4.41Å; F409-L415 HydrophobicContact CE2-CD1 3.91Å; F409-L415 HydrophobicContact CG-CB 4.16Å; R411-L415 PolarHBondContact O-N 3.16Å; N412-L415 PolarHBondContact O-N 3Å; L415-K417 VanDerWaalsContact C-N 3.28Å; L415-K417 PolarHBondContact O-N 3.41Å; L415-H418 WeakPolarHBondContact O-CB 3.32Å; L415-H418 PolarHBondContact O-N 3.46Å; L415-H418 VanDerWaalsContact O-N 3.11Å; L415-V419 HydrophobicContact CD1-CG2 3.79Å; L415-V419 HydrophobicContact CG-CG2 4.33Å; L415-V419 WeakPolarHBondContact O-CG2 3.37Å; L415-V419 PolarHBondContact O-N 2.93Å
416K88.2Confident83.3Confident126 Ų12678 Ų7855%0.54840%0.397SS..Hα-helixtrans-62.1-34.6178.5-77.2-178.2174.3178.90112.9N412 F413 R420N412-K416 PolarHBondContact O-N 2.89Å; N412-K416 VanDerWaalsContact OD1-CD 3.32Å; N412-K416 WeakPolarHBondContact OD1-CD 3.4Å; N412-K416 WeakPolarHBondContact OD1-CE 3.47Å; N412-K416 WeakPolarHBondContact OD1-CG 3.37Å; F413-K416 PolarHBondContact O-N 3Å; K416-R420 VanDerWaalsContact O-CB 3.27Å; K416-R420 WeakPolarHBondContact O-CB 3.35Å; K416-R420 VanDerWaalsContact O-CG 3.29Å; K416-R420 WeakPolarHBondContact O-CG 3.44Å; K416-R420 PolarHBondContact O-N 3.46Å; K416-R420 PolarHBondContact O-NE 3Å
417K88.8Confident81.9Confident94 Ų9483.2 Ų83.241%0.40941%0.411SS..Hα-helixtrans-69.4-40.3174.4-175.9-179.1178.3-176.30110.7F413 D414 L415 K421F413-K417 HydrophobicContact CE1-CD 4.47Å; F413-K417 WeakPolarHBondContact O-CB 3.34Å; F413-K417 PolarHBondContact O-N 3.32Å; D414-K417 PolarHBondContact O-N 3.42Å; L415-K417 VanDerWaalsContact C-N 3.28Å; L415-K417 PolarHBondContact O-N 3.41Å; K417-K421 HydrophobicContact CG-CD 4.22Å; K417-K421 VanDerWaalsContact O-CB 3.3Å; K417-K421 WeakPolarHBondContact O-CB 3.23Å; K417-K421 VanDerWaalsContact O-CG 3.23Å; K417-K421 WeakPolarHBondContact O-CG 3.39Å; K417-K421 PolarHBondContact O-N 2.72Å; K417-K421 VanDerWaalsContact O-N 3.07Å
418H89.3Confident80.1Confident19 Ų1980.6 Ų80.69%0.08842%0.42CS..Hα-helixtrans-63.9-50.9175.5162.882.5000111.6C402 C405 F409 D414 L415 R420 K421 L422 H423C402-H418 PolarHBondContact SG-NE2 3.41Å; C402-H418 VanDerWaalsContact SG-NE2 3.39Å; C405-H418 PolarHBondContact SG-CE1 3.19Å; C405-H418 PolarHBondContact SG-NE2 3.07Å; F409-H418 HydrophobicContact CE1-CB 3.94Å; F409-H418 HydrophobicContact CE2-CB 4.05Å; F409-H418 AromaticContact CE2-CD2 3.61Å; F409-H418 AromaticContact CE2-CG 3.76Å; F409-H418 HydrophobicContact CZ-CB 3.48Å; F409-H418 VanDerWaalsContact CZ-CB 3.48Å; F409-H418 AromaticContact CZ-CD2 3.63Å; F409-H418 AromaticContact CZ-CG 3.27Å; F409-H418 AromaticContact CZ-ND1 3.61Å; D414-H418 VanDerWaalsContact O-CB 3.3Å; D414-H418 WeakPolarHBondContact O-CB 3.45Å; D414-H418 PolarHBondContact O-N 2.94Å; L415-H418 WeakPolarHBondContact O-CB 3.32Å; L415-H418 PolarHBondContact O-N 3.46Å; L415-H418 VanDerWaalsContact O-N 3.11Å; H418-R420 PolarHBondContact O-N 3.39Å; H418-K421 PolarHBondContact O-N 3.12Å; H418-K421 VanDerWaalsContact O-N 3.11Å; H418-L422 WeakPolarHBondContact ND1-CD1 3.48Å; H418-L422 WeakPolarHBondContact O-CB 3.49Å; H418-L422 PolarHBondContact O-N 3.5Å; H418-H423 AromaticContact CD2-CD2 4Å; H418-H423 AromaticContact CE1-NE2 3.71Å; H418-H423 AromaticContact NE2-CD2 3.52Å; H418-H423 AromaticContact NE2-NE2 3.2Å; H418-H423 PolarHBondContact NE2-NE2 3.17Å
419V88.8Confident78.1Confident45 Ų4586.2 Ų86.227%0.27344%0.444SS..Hα-helixtrans-58.5-49.4176.5174.30000110.4L415 K421 L422 H423 D424L415-V419 HydrophobicContact CD1-CG2 3.79Å; L415-V419 HydrophobicContact CG-CG2 4.33Å; L415-V419 WeakPolarHBondContact O-CG2 3.37Å; L415-V419 PolarHBondContact O-N 2.93Å; V419-K421 PolarHBondContact O-N 3.36Å; V419-L422 PolarHBondContact O-N 2.88Å; V419-H423 HydrophobicContact CG1-CB 4.16Å; V419-H423 CarbonylContact O-C 3.27Å; V419-H423 WeakPolarHBondContact O-CA 3.37Å; V419-H423 WeakPolarHBondContact O-CB 3.47Å; V419-H423 PolarHBondContact O-N 3.35Å; V419-D424 PolarHBondContact O-N 3.29Å
420R88.5Confident75.9Confident147 Ų14788.6 Ų88.656%0.55547%0.47SS*.Hα-helixtrans-59.1-29.9176.5-78.8-173.2-63153.7-0.7114.9K416 H418K416-R420 VanDerWaalsContact O-CB 3.27Å; K416-R420 WeakPolarHBondContact O-CB 3.35Å; K416-R420 VanDerWaalsContact O-CG 3.29Å; K416-R420 WeakPolarHBondContact O-CG 3.44Å; K416-R420 PolarHBondContact O-N 3.46Å; K416-R420 PolarHBondContact O-NE 3Å; H418-R420 PolarHBondContact O-N 3.39Å
421K86.9Confident74.1Confident151 Ų15198.4 Ų98.466%0.65750%0.504SS*.Hα-helixtrans-88.9-32.9-177.2-78.1-175171-1470113.5K417 H418 V419K417-K421 HydrophobicContact CG-CD 4.22Å; K417-K421 VanDerWaalsContact O-CB 3.3Å; K417-K421 WeakPolarHBondContact O-CB 3.23Å; K417-K421 VanDerWaalsContact O-CG 3.23Å; K417-K421 WeakPolarHBondContact O-CG 3.39Å; K417-K421 PolarHBondContact O-N 2.72Å; K417-K421 VanDerWaalsContact O-N 3.07Å; H418-K421 PolarHBondContact O-N 3.12Å; H418-K421 VanDerWaalsContact O-N 3.11Å; V419-K421 PolarHBondContact O-N 3.36Å
422L85.1Confident72.3Confident110 Ų11098.4 Ų98.458%0.57652%0.517SS*.Hα-helixtrans-118.8-13.8-168.6-60.1-175.8000113.7H418 V419H418-L422 WeakPolarHBondContact ND1-CD1 3.48Å; H418-L422 WeakPolarHBondContact O-CB 3.49Å; H418-L422 PolarHBondContact O-N 3.5Å; V419-L422 PolarHBondContact O-N 2.88Å
423H82.4Confident70.4Confident51 Ų51101.4 Ų101.424%0.23654%0.54CS..THydrogen-bonded Turntrans-136.9-7.1-172.2-57.4-50.8000114.5C402 T404 C405 H418 V419 S425C402-H423 PolarHBondContact SG-CD2 3.46Å; T404-H423 HydrophobicContact CG2-CB 4.37Å; T404-H423 WeakPolarHBondContact CG2-ND1 3.18Å; C405-H423 PolarHBondContact SG-NE2 2.87Å; C405-H423 VanDerWaalsContact SG-NE2 3.37Å; H418-H423 AromaticContact CD2-CD2 4Å; H418-H423 AromaticContact CE1-NE2 3.71Å; H418-H423 AromaticContact NE2-CD2 3.52Å; H418-H423 AromaticContact NE2-NE2 3.2Å; H418-H423 PolarHBondContact NE2-NE2 3.17Å; V419-H423 HydrophobicContact CG1-CB 4.16Å; V419-H423 CarbonylContact O-C 3.27Å; V419-H423 WeakPolarHBondContact O-CA 3.37Å; V419-H423 WeakPolarHBondContact O-CB 3.47Å; V419-H423 PolarHBondContact O-N 3.35Å; H423-S425 PolarHBondContact O-N 2.95Å; H423-S425 VanDerWaalsContact O-N 3.12Å
424D77.3Confident68Low86 Ų86100.3 Ų100.346%0.4656%0.555SS.*  trans-85.285.6174.9-166.3-3.4000108.5V419 S426V419-D424 PolarHBondContact O-N 3.29Å; D424-S426 PolarHBondContact O-N 3.36Å; D424-S426 PolarHBondContact OD1-OG 2.88Å
425S62.2Low65.5Low72 Ų72101.7 Ų101.750%0.50358%0.579SS.*  trans-87.529.4178.8-57.30000112.7H423 L427 G428H423-S425 PolarHBondContact O-N 2.95Å; H423-S425 VanDerWaalsContact O-N 3.12Å; S425-L427 CarbonylContact O-C 3.5Å; S425-L427 PolarHBondContact O-N 3.47Å; S425-G428 PolarHBondContact O-N 3.49Å; S425-G428 VanDerWaalsContact O-N 3.1Å
426S58Low63Low95 Ų95109.7 Ų109.766%0.66462%0.616SS**THydrogen-bonded Turntrans-64.60.3168.946.60000113.6D424D424-S426 PolarHBondContact O-N 3.36Å; D424-S426 PolarHBondContact OD1-OG 2.88Å
427L55.2Low60.8Low163 Ų163109.3 Ų109.385%0.85363%0.626SS**THydrogen-bonded Turntrans-125.273.5157-65.8174.7000110.3S425 L429S425-L427 CarbonylContact O-C 3.5Å; S425-L427 PolarHBondContact O-N 3.47Å; L427-L429 VanDerWaalsContact C-N 3.29Å; L427-L429 PolarHBondContact O-N 3.33Å
428G48.7Very low58.2Low69 Ų69108.4 Ų108.471%0.71164%0.644SS**SBendtrans54.415132.900000121.4S425S425-G428 PolarHBondContact O-N 3.49Å; S425-G428 VanDerWaalsContact O-N 3.1Å
429L43.3Very low55.6Low141 Ų141114.4 Ų114.474%0.73868%0.681SS**  trans-140.5101.9168.4-72.3175.2000110.2L427 R431L427-L429 VanDerWaalsContact C-N 3.29Å; L427-L429 PolarHBondContact O-N 3.33Å; L429-R431 PolarHBondContact O-N 3.34Å
430A38.5Very low53Low89 Ų89121.1 Ų121.174%0.73671%0.71SS**  trans-58.6106.416100000108.2T432A430-T432 PolarHBondContact O-N 3.45Å
431R43.2Very low50.6Low233 Ų233119.6 Ų119.688%0.87972%0.719SS**  trans-87.995.8159.4-77-171178.9-156.7-0.6107.3L429L429-R431 PolarHBondContact O-N 3.34Å
432T46Very low48.4Very low119 Ų119118 Ų11873%0.7372%0.724SS**PPolyproline II helixtrans-58.7139.2155.542.40000108.4A430 A434A430-T432 PolarHBondContact O-N 3.45Å; T432-A434 PolarHBondContact O-N 3.22Å
433P44.1Very low46.3Very low127 Ų127118.2 Ų118.283%0.82573%0.732SS**PPolyproline II helixtrans-67.1121.1165.6-9.124.9000107.6G435P433-G435 PolarHBondContact O-N 3.21Å
434A38.1Very low44.1Very low106 Ų106122 Ų12288%0.87676%0.761SS**PPolyproline II helixtrans-58.6126.5170.300000109.9T432T432-A434 PolarHBondContact O-N 3.22Å
435G34.4Very low42Very low70 Ų70126.2 Ų126.272%0.72278%0.783SS**  trans-14286.9166.700000108.1P433P433-G435 PolarHBondContact O-N 3.21Å
436E35.2Very low40.7Very low191 Ų191131.7 Ų131.789%0.89380%0.8SS**  trans43.8154.1147.6-63.6-150.6147.700123.2
437P41.9Very low39.9Very low118 Ų118136.3 Ų136.377%0.76681%0.811SS**  trans-94.4146.9-151.335.8-31.2000115.1
438G35.2Very low38.9Very low75 Ų75137.3 Ų137.377%0.77381%0.812SS**  trans5599.1141.400000119.2
439T34.4Very low38.3Very low144 Ų144139.1 Ų139.188%0.88381%0.811SS**  trans-143.6124142.812.50000107.9
440E35Very low38.1Very low186 Ų186138.6 Ų138.687%0.86982%0.816SS**PPolyproline II helixtrans-58.1152-179.3-78.6-161.6121.900112.7
441P38.1Very low38.1Very low116 Ų116141.1 Ų141.175%0.75382%0.822SS**PPolyproline II helixtrans-72.1136.5173.630-32000110.7
442P39.7Very low37.7Very low118 Ų118136.3 Ų136.377%0.76682%0.819SS**PPolyproline II helixtrans-73.1150.7174.530.4-32.5000111.1
443P40.7Very low37.4Very low114 Ų114138.8 Ų138.874%0.7483%0.827SS**PPolyproline II helixtrans-73.3162.8-179.230.4-33.5000112.4
444P35.9Very low37.3Very low129 Ų129138.4 Ų138.484%0.83882%0.824SS**PPolyproline II helixtrans-72.2137.6-16821.2-20.4000113Q446P444-Q446 PolarHBondContact O-N 2.97Å
445L34.8Very low37.7Very low176 Ų176139.5 Ų139.592%0.92182%0.822SS**  trans-64.7114.6-179.2-70.9162.9000111.8
446Q33.7Very low38Very low186 Ų186143.9 Ų143.987%0.86983%0.828SS**  trans-75.8133.7159.4-81.4-178.4-15.200109.7P444P444-Q446 PolarHBondContact O-N 2.97Å
447Q41.9Very low38.1Very low192 Ų192144.3 Ų144.390%0.89783%0.83SS**  trans-72.6135.1177.6-63172.721.500110.8
448Q33.5Very low38Very low185 Ų185143.2 Ų143.286%0.86483%0.831SS**  trans-141156.1162.9-81.3-156.8-4.400111.3
449P37.5Very low38.5Very low107 Ų107145.7 Ų145.770%0.69583%0.834SS**  trans-95.8179.9-144.341.2-37.2000113.8
450P39Very low38.8Very low129 Ų129146 Ų14684%0.83883%0.829SS**PPolyproline II helixtrans-83146.3-157.634.6-31.9000112.8
451V36.7Very low39.3Very low142 Ų142143.1 Ų143.186%0.86183%0.827SS**PPolyproline II helixtrans-103127.3177.7-175.50000110.5
452T35.6Very low39.3Very low132 Ų132143.4 Ų143.481%0.8183%0.826SS**PPolyproline II helixtrans-71.4146176.828.70000114.2
453L40.8Very low39.8Very low172 Ų172143.5 Ų143.590%0.90183%0.827SS**PPolyproline II helixtrans-85.2155.7173.6-70.2166.9000113.3
454P41.5Very low39.6Very low119 Ų119141.6 Ų141.677%0.77383%0.828SS**  trans-129.9172.215030.4-11.4000114.6
455P45.8Very low40.2Very low129 Ų129140.9 Ų140.984%0.83882%0.824SS**  trans-112.1179.7-140.441.8-34.9000118.5
456L40.8Very low40.2Very low162 Ų162139.9 Ų139.985%0.84882%0.818SS**  trans-60.1151-176.9-76146.1000118.4
457Q38.3Very low40.6Very low199 Ų199139.1 Ų139.193%0.9382%0.815SS**  176.2161.2114.8-94.6177.52.500115.6
458A38.1Very low41Very low95 Ų95135.5 Ų135.579%0.78581%0.808SS**  trans-91.5-161.9-165.200000114.2
459P47.3Very low41.1Very low128 Ų128130 Ų13083%0.83180%0.8SS**  cis-144.6-176.620.639.4-14.6000119.1
460L40.7Very low41.1Very low151 Ų151132.3 Ų132.379%0.79181%0.806SS**  trans-65.5170.8179.7-89.4138.1000117.3
461P45.8Very low41Very low125 Ų125133.4 Ų133.481%0.81280%0.8SS**  -139.5154.5120.136.1-21.2000116.8
462T38.3Very low41.2Very low121 Ų121134.4 Ų134.474%0.74280%0.795SS**  trans-100.3-167.9170.850.60000110.6
463P48.3Very low41.3Very low120 Ų120131.1 Ų131.178%0.77979%0.788SS**  cis-143.5163.1-036.9-15000119.2
464G37.3Very low41.4Very low75 Ų75131.1 Ų131.177%0.77378%0.783SS**  trans58.7177.9139.200000123.6
465P49.1Very low41.7Very low114 Ų114137.6 Ų137.674%0.7480%0.802SS**  cis-144168.2-13.144.5-26.1000117.6
466L35.3Very low41.5Very low155 Ų155138 Ų13881%0.81280%0.801SS**  trans57.9146.2145.6-60.9159.2000121.2
467Q41.7Very low41.5Very low170 Ų170136.7 Ų136.779%0.79480%0.798SS**  cis-160.7-144.7-16.1-74.5-147.9-34.100108.9
468P49.2Very low41.7Very low116 Ų116133.3 Ų133.375%0.75379%0.791SS**  trans-124.7177.3-132.833.6-6.5000115.5
469G36.6Very low41.9Very low68 Ų68135.5 Ų135.570%0.70179%0.791SS**  trans172.8110.6164.200000111
470L36.8Very low41.5Very low156 Ų156136 Ų13682%0.81779%0.789SS**  59.7120.781-82168.4000116
471H37.3Very low41.6Very low152 Ų152135 Ų13570%0.70479%0.788SS**  trans69.6146.2151.5-7746.7000116.4
472Q40.5Very low41.3Very low164 Ų164135.7 Ų135.777%0.76679%0.787SS**  cis-159145.58.8-106.7160.14.200104.1
473G38.4Very low41.5Very low63 Ų63136.8 Ų136.865%0.64979%0.79SS**  60.5100.486.400000113.6
474H42.5Very low41Very low172 Ų172138.3 Ų138.380%0.79679%0.791SS**  trans-160.7115151.8-105.5-77.3000112.1
475Q46.8Very low41.3Very low254 Ų254144 Ų144100%1.18779%0.793SS**  trans66.20152.1-62.3-173.211.900121.2

Retrieved 475 of 475 residues in 2127.7 ms (Link to these results)