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Polyadenylate-binding protein 2

Involved in the 3'-end formation of mRNA precursors (pre-mRNA) by the addition of a poly(A) tail of 200-250 nt to the upstream cleavage product (By similarity). Stimulates poly(A) polymerase (PAPOLA) conferring processivity on the poly(A) tail elongation reaction and also controls the poly(A) tail length (By similarity). Increases the affinity of poly(A) polymerase for RNA (By similarity). Is also present at various stages of mRNA metabolism including nucleocytoplasmic trafficking and nonsense-mediated decay (NMD) of mRNA. Cooperates with SKIP to synergistically activate E-box-mediated transcription through MYOD1 and may regulate the expression of muscle-specific genes1. Binds to poly(A) and to poly(G) with high affinity (By similarity). May protect the poly(A) tail from degradation (By similarity). Subunit of the trimeric poly(A) tail exosome targeting (PAXT) complex, a complex that directs a subset of long and polyadenylated poly(A) RNAs for exosomal degradation. The RNA exosome is fundamental for the degradation of RNA in eukaryotic nuclei. Substrate targeting is facilitated by its cofactor MTREX, which links to RNA-binding protein adapters2.

AlphaFold DB , UniProt , Accession Q86U42, Species HUMAN (Homo sapiens, Human), Gene PABPN1, Length 306 aa.

Structure Viewer
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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
1M54.1Low48.2Very low236 Ų236112.5 Ų112.5100%1.16386%0.859SS**  0106.60-64.7174.2173.700105.3
2A41.7Very low49.2Very low103 Ų103109.3 Ų109.385%0.85185%0.851SS**  62.812977.700000111.4
3A41.6Very low49.9Very low91 Ų91108.5 Ų108.575%0.75285%0.847SS**  cis-158.4140.8-500000106.6
4A46.6Very low50.7Low104 Ų104108.8 Ų108.886%0.8685%0.854SS**  47.6103.38500000116.7
5A46.2Very low51Low94 Ų94106.9 Ų106.978%0.77785%0.852SS**  trans-175.9125153.400000107.8
6A48.9Very low51.6Low100 Ų100105.3 Ų105.383%0.82685%0.851SS**  72.2141.164.600000112.9
7A48.9Very low52.1Low94 Ų94114.4 Ų114.478%0.77786%0.859SS**  cis-172.4-175-10.700000109.4
8A48.7Very low52.5Low94 Ų94112.6 Ų112.678%0.77786%0.857SS**  trans68.5125.7164.600000117.2
9A48.2Very low53.2Low104 Ų104113.1 Ų113.186%0.8686%0.857SS**  cis79.8110.546.500000114.1
10A54.5Low53.9Low109 Ų109111.1 Ų111.190%0.90185%0.852SS**  trans-147.3129.9165.400000109.8
11A51.3Low54.3Low109 Ų109111.9 Ų111.990%0.90185%0.851SS**  trans-112.7141.3173.600000109.9
12G60.1Low54.7Low74 Ų74103.7 Ų103.776%0.76383%0.827SS**  trans-142.1120.3165.400000108
13A58.4Low55.6Low98 Ų98108.7 Ų108.781%0.8182%0.824SS**  cis92.6114.842.100000113.1
14A60.4Low56.4Low113 Ų113116.4 Ų116.493%0.93483%0.834SS**  trans59.5152168.900000117
15G55.2Low57.2Low80 Ų80121.2 Ų121.283%0.82583%0.83SS**  cis165.1139-3.600000108.8
16G61.7Low58.2Low81 Ų81125.1 Ų125.184%0.83583%0.831SS**  trans-171.584.2-173.400000114
17R58.7Low58.9Low261 Ų261128.4 Ų128.499%0.98583%0.834SS**  trans-81.3117.1172.5-71.3179.8169.1-155.4-3.6110
18G60.7Low59.9Low81 Ų81129.9 Ų129.984%0.83583%0.833SS**  trans-121.584.4170.600000111.4
19S65.9Low60.5Low122 Ų122131.2 Ų131.285%0.85383%0.834SS**  trans-87.8128.3173.6-175.30000110.2
20G67.1Low61.1Low74 Ų74129.5 Ų129.576%0.76383%0.827SS**  trans-150.892.4178.900000112.9
21P60.7Low61.4Low127 Ų127129.2 Ų129.283%0.82582%0.824SS**  trans-89.511317132.7-28.5000109.9
22G62.4Low61.4Low64 Ų64128.2 Ų128.266%0.6683%0.825SS**  trans-176.477.5-177.500000118.2
23R61.5Low61.2Low209 Ų209128 Ų12879%0.78982%0.822SS**  trans160.988.6131-85.2156.6-160.7-104.41.3111.2R25R23-R25 PolarHBondContact O-N 2.96Å
24R57.5Low61.3Low253 Ų253133 Ų13396%0.95583%0.829SS**  trans-70.1121.4149.2-77.6-174.9172.6-167.2-2.5107
25R64.6Low60.8Low205 Ų205132.5 Ų132.577%0.77482%0.824SS**  trans-116.4124.3164.3-88.2-174.4165.9179.9-6.3109.2R23R23-R25 PolarHBondContact O-N 2.96Å
26H66.9Low60.9Low176 Ų176132.4 Ų132.482%0.81582%0.823SS**  trans-20.9122.8175.8-59.7-86.8000116.6
27L63.6Low60.6Low169 Ų169138.1 Ų138.189%0.88583%0.828SS**  trans-72.3127.6157.4-171.171.4000108.2
28V70.5Confident60.4Low125 Ų125129.2 Ų129.276%0.75882%0.818SS**  trans-105.3116.9172.1176.20000108.2
29P60.7Low60.5Low121 Ų121130 Ų13079%0.78682%0.816SS**  trans-93.2123.5163.333-26.6000109.5
30G60.8Low60.5Low69 Ų69130.7 Ų130.771%0.71182%0.818SS**  trans-156.595-174.500000114.6
31A60Low60Low103 Ų103131 Ų13185%0.85182%0.821SS**  trans36113.8150.300000121.2
32G53Low59.7Low88 Ų88128.5 Ų128.591%0.90782%0.818SS**  62.6119.8105.100000120.5
33G56Low59.4Low68 Ų68130.9 Ų130.970%0.70183%0.831SS**  trans16286169.600000108.3
34E58.7Low59.2Low205 Ų205124.3 Ų124.396%0.95883%0.829SS**  83.2146.985.3-76.3-160.2123.900113.8
35A51Low59.1Low102 Ų102119 Ų11984%0.84382%0.82SS**  trans-80.6157.4-152.900000115.1
36G57.4Low58.8Low78 Ų78120.2 Ų120.280%0.80483%0.826SS**  trans-159.980.3174.400000111.4
37E54.4Low58Low201 Ų201114.6 Ų114.694%0.93982%0.816SS**  trans-65.6134.7170.4-71166.889.900110.5
38G55.1Low57.6Low74 Ų74114.4 Ų114.476%0.76382%0.816SS**  trans-159.465.5-168.700000114.6
39A62.7Low56.6Low96 Ų96111.4 Ų111.479%0.79381%0.81SS**  trans23.5120.3156.700000120.9
40P66.1Low56.5Low138 Ų138112.9 Ų112.990%0.89681%0.81SS**  trans-84.2137.7153.234-29.7000111
41G56Low56Low81 Ų81117.6 Ų117.684%0.83581%0.814SS**  trans-158.3144.3176.500000113.6
42G54.2Low55.6Low74 Ų74118 Ų11876%0.76381%0.81SS**  trans95.889-17600000111.6
43A57Low55.9Low113 Ų113122 Ų12293%0.93481%0.805SS**  66111.761.400000112.7
44G57.2Low55.5Low72 Ų72127.2 Ų127.274%0.74281%0.811SS**  trans-177.166.8-174.600000110.4
45D54.9Low55.3Low141 Ų141125.6 Ų125.675%0.75481%0.809SS**  trans-75.6128.5178.9174.429.4000111.3G47D45-G47 PolarHBondContact OD1-N 3.23Å
46Y58.6Low56Low230 Ų230128.8 Ų128.890%0.90281%0.806SS**  trans-146.775.9165.3-76.3-67.6000110.2
47G49.6Very low55.9Low59 Ų59130.3 Ų130.361%0.60880%0.802SS**  trans-72.1126.5162.900000112.6D45D45-G47 PolarHBondContact OD1-N 3.23Å
48N56.6Low55.9Low165 Ų165128.4 Ų128.488%0.88279%0.793SS**  trans-161.7113.8152.4-87.9-26.5000104.3
49G48.6Very low55.3Low61 Ų61133.6 Ų133.663%0.62980%0.797SS**  cis96.4118.912.500000110.1
50L59.2Low54.6Low152 Ų152136.6 Ų136.680%0.79680%0.799SS**  trans72.5142.1178.2-41.8173.9000114
51E50.4Low53.7Low169 Ų169136.9 Ų136.979%0.7979%0.792SS**  cis-159.2-177.1-17.9-124.8158.1174.400109.4
52S50.6Low53.2Low110 Ų110141.3 Ų141.377%0.76980%0.796SS**  trans-70.6-168.8-176.9-48.70000115
53E58.8Low53.7Low174 Ų174146.4 Ų146.481%0.81380%0.8SS**  trans93.498.2169.4-47.4-152163.700113
54E48.8Very low53.8Low177 Ų177146.7 Ų146.783%0.82779%0.792SS**  62109.880.5-70.9-164.7147.100111.7
55L54.7Low54.4Low171 Ų171152 Ų15290%0.89580%0.798SS**  trans-176.193.7150-101.4165.3000108.8
56E64.5Low55Low168 Ų168151.2 Ų151.279%0.78580%0.8SS**  trans-64150.2148.2-71.6-89.8148.100107.6
57P56.6Low55.5Low111 Ų111148.6 Ų148.672%0.72180%0.796SS**  -145.1139.498.635.4-19.6000115.6
58E53.3Low56.3Low161 Ų161152 Ų15275%0.75281%0.807SS**  31.8140.6122.4-56.6-163.9160.700121.4
59E43.7Very low56.8Low182 Ų182152.8 Ų152.885%0.8581%0.806SS**  trans53.2111.5156.6-64.5-166.1152.800118.7
60L47.8Very low57.4Low160 Ų160155.4 Ų155.484%0.83881%0.811SS**  -152.4101.3127-107.8175.6000111.8
61L47.4Very low57.3Low144 Ų144157.7 Ų157.775%0.75482%0.818SS**  trans33.8126144.8-64.7170.7000120.7E63L61-E63 PolarHBondContact O-N 3.05Å
62L44.2Very low57.6Low173 Ų173158.9 Ų158.991%0.90682%0.824SS**  trans-44.7116.2146.8-90.264.7000110.5
63E64.2Low58.5Low182 Ų182161.1 Ų161.185%0.8582%0.822SS**PPolyproline II helixtrans-95.9130.8152.1-66.7-164.9159.900108.4L61L61-E63 PolarHBondContact O-N 3.05Å
64P61.1Low59.2Low118 Ų118158.3 Ų158.377%0.76682%0.819SS**PPolyproline II helixtrans-73.4142.7-176.730.1-34.3000111.1
65E69.6Low60.2Low184 Ų184155.8 Ų155.886%0.8682%0.818SS**PPolyproline II helixtrans-59.3133.5172.5-66-162146.400110.5E67E65-E67 PolarHBondContact O-N 2.85Å
66P67.2Low60.9Low124 Ų124157.5 Ų157.581%0.80581%0.812SS**PPolyproline II helixtrans-68.4130.817528-32.9000110.3
67E68Low61.2Low176 Ų176155.7 Ų155.782%0.82282%0.815SS**PPolyproline II helixtrans-59.6152.3178.3-67.2-170.4152.500112.2E65 E69E65-E67 PolarHBondContact O-N 2.85Å; E67-E69 PolarHBondContact O-N 3.42Å; E67-E69 VanDerWaalsContact O-N 3.11Å
68P66.3Low61.5Low129 Ų129162.1 Ų162.184%0.83883%0.825SS**  trans-67.9109.7176.428.1-34.3000110.8
69E67.6Low62.1Low183 Ų183158.6 Ų158.686%0.85582%0.824SS**  trans-62.8144.7172-71.1-159.1155.300111.5E67E67-E69 PolarHBondContact O-N 3.42Å; E67-E69 VanDerWaalsContact O-N 3.11Å
70P60.7Low63.5Low115 Ų115155.6 Ų155.675%0.74782%0.82SS**  trans-72.3152.6-175.130.4-36000112.7E72P70-E72 PolarHBondContact O-N 3.15Å
71E58.7Low64.6Low201 Ų201154.1 Ų154.194%0.93982%0.82SS**  trans-57.7101.7179.6-58.8174168.600112.2
72E56.7Low65.2Low194 Ų194150.7 Ų150.791%0.90782%0.82SS**PPolyproline II helixtrans-73.6126169.1-76.1-156.7136.100111.2P70P70-E72 PolarHBondContact O-N 3.15Å
73E67.8Low66.1Low157 Ų157147.1 Ų147.173%0.73482%0.815SS**PPolyproline II helixtrans-58.1143.4176.6-67.5-171.7134.400112.1
74P74.4Confident66.4Low115 Ų115144.5 Ų144.575%0.74781%0.814SS**PPolyproline II helixtrans-61.3135.6174.825.8-34.1000111.2R76P74-R76 PolarHBondContact O-N 3.36Å
75P70.3Confident66.3Low124 Ų124142.3 Ų142.381%0.80581%0.812SS**PPolyproline II helixtrans-66129.8-172.225.2-34.4000112
76R67.9Low65.9Low207 Ų207140 Ų14078%0.78181%0.813SS**PPolyproline II helixtrans-55.7138.7175.9-59.4177.9-169.6-133.9-4.4110.6P74 R78P74-R76 PolarHBondContact O-N 3.36Å; R76-R78 PolarHBondContact O-N 2.88Å
77P71.4Confident65.3Low129 Ų129137.6 Ų137.684%0.83881%0.811SS**PPolyproline II helixtrans-61.6121.9178.225.1-33.4000110.3A79P77-A79 PolarHBondContact O-N 3.43Å
78R64Low64.8Low246 Ų246135.7 Ų135.793%0.92881%0.814SS**PPolyproline II helixtrans-70.8126.6174.4-69.7-179.2177-125.30.7109.2R76R76-R78 PolarHBondContact O-N 2.88Å
79A65.5Low64.2Low88 Ų88132.8 Ų132.873%0.72781%0.808SS**PPolyproline II helixtrans-63.2146.7173.800000111.2P77P77-A79 PolarHBondContact O-N 3.43Å
80P72.7Confident63.6Low118 Ų118130.3 Ų130.377%0.76681%0.81SS**PPolyproline II helixtrans-65143.8171.628.3-34.1000110.6
81P71.1Confident63Low129 Ų129128.9 Ų128.984%0.83882%0.817SS**PPolyproline II helixtrans-66.8142.1-178.827.4-34.2000112
82G59Low63.2Low73 Ų73124 Ų12475%0.75381%0.811SS**PPolyproline II helixtrans-71.8168.5-176.900000115
83A63.3Low63.2Low97 Ų97120.8 Ų120.880%0.80281%0.807SS**PPolyproline II helixtrans-61.7145.2-173.500000114.7
84P70.9Confident62.3Low128 Ų128116.8 Ų116.883%0.83181%0.807SS**PPolyproline II helixtrans-75.7123.3161.530.9-31.2000110.7
85G58.9Low61.2Low71 Ų71116.3 Ų116.373%0.73281%0.807SS**PPolyproline II helixtrans-77.9168.6170.900000113.4
86P61.8Low60.1Low136 Ų136118.4 Ų118.488%0.88381%0.806SS**PPolyproline II helixtrans-97.1145.6-163.535.7-35.4000116.9
87G54.2Low59.3Low73 Ų73116 Ų11675%0.75380%0.804SS**  trans88176.4151.800000117.8
88P57.9Low58.3Low136 Ų136118.9 Ų118.988%0.88381%0.806SS**  cis-131.7164.3-22.839.3-25.3000113.5
89G52.7Low57.9Low69 Ų69116.7 Ų116.771%0.71181%0.806SS**  trans158.4103.5162.700000119.7
90S55.4Low57Low131 Ų131121.6 Ų121.692%0.91681%0.814SS**  trans44122.9138.760.20000122.9
91G47.8Very low55.9Low85 Ų85123.7 Ų123.788%0.87681%0.813SS**  trans149.9103.5150.800000115.7
92A63Low55.1Low99 Ų99123.5 Ų123.582%0.81881%0.812SS**  trans-100.8-164174.100000110.5
93P56.4Low54.3Low126 Ų126122.6 Ų122.682%0.81880%0.802SS**  cis-139176.2-14.937.5-18.3000116.2
94G50.7Low53.5Low72 Ų72125.9 Ų125.974%0.74281%0.806SS**  trans80150.2154.800000117.7
95S50.8Low52.4Low106 Ų106126.3 Ų126.374%0.74181%0.806SS**  cis-156.9155.52.3-50.40000110.6
96Q46.1Very low51.7Low167 Ų167132.3 Ų132.378%0.7882%0.815SS**  trans25.3145.2131.9-73.6162.6-43.200120.7
97E51.5Low50.8Low158 Ų158129.5 Ų129.574%0.73881%0.81SS**  cis-144.6140.811.6-89.5120.4-153.300108.4
98E51.6Low50.5Low188 Ų188133.5 Ų133.588%0.87981%0.814SS**  51.5105.393.6-69.2-171.4-164.700117.9
99E53.8Low49.9Very low201 Ų201132.9 Ų132.994%0.93981%0.81SS**  trans-144.8152.3148.9-77.8-160.2166.900111.3
100E46.8Very low49.5Very low190 Ų190132.9 Ų132.989%0.88881%0.81SS**  trans-77.6149.3-149.2-61167.312700119.6
101E51.3Low48.9Very low163 Ų163134.9 Ų134.976%0.76281%0.811SS**  -1157.8127.8-86.8-78.8124.300118.7G103E101-G103 PolarHBondContact OE2-N 2.82Å
102P53.6Low48.6Very low125 Ų125133.5 Ų133.581%0.81280%0.797SS**  cis-151.8151.447.439.5-17000122.1
103G41.3Very low47.8Very low53 Ų53134.1 Ų134.155%0.54680%0.802SS.*  96.9115.3119.300000120.5E101E101-G103 PolarHBondContact OE2-N 2.82Å
104L46.6Very low47.5Very low167 Ų167133.8 Ų133.887%0.87479%0.792SS**  trans-157.893.3145.1-115162.7000112.6
105V49.2Very low47.6Very low136 Ų136139.2 Ų139.282%0.82480%0.798SS**  trans29114.2151.6-179.60000118.7
106E42.5Very low48.1Very low198 Ų198137.8 Ų137.893%0.92578%0.782SS**  trans-63.8151.2168-57.5177133.900113.3
107G44.4Very low49.3Very low76 Ų76134.3 Ų134.378%0.78477%0.774SS**  trans-16474.317900000114.3
108D46.5Very low49.7Very low157 Ų157133.9 Ų133.984%0.8477%0.772SS**  trans64.6120.1160.8-142.664.6000119.2
109P45.7Very low50.1Low123 Ų123130.4 Ų130.480%0.79976%0.758SS**  trans-99.4123.1177.935.7-29.1000113
110G44Very low51Low69 Ų69127.9 Ų127.971%0.71175%0.747SS**  trans-162.4143.7172.400000112.5
111D44.1Very low52.4Low174 Ų174121.7 Ų121.793%0.9373%0.728SS**  trans42.8123.5174.1-75.519.3000117.8
112G41.6Very low53.4Low56 Ų56119 Ų11958%0.57772%0.717SS**  cis159137.69.500000106.5I114G112-I114 VanDerWaalsContact C-N 3.31Å; G112-I114 PolarHBondContact O-N 2.68Å
113A46.3Very low54.6Low112 Ų112121 Ų12193%0.92671%0.714SS**  trans-72.888.1-179.600000109.8
114I49.6Very low56.7Low118 Ų118121.1 Ų121.161%0.60571%0.71SS**  trans-102.4110.2169.9-50.1-179.7000107G112 D116G112-I114 VanDerWaalsContact C-N 3.31Å; G112-I114 PolarHBondContact O-N 2.68Å; I114-D116 VanDerWaalsContact CG2-OD1 3.23Å; I114-D116 WeakPolarHBondContact CG2-OD1 3.23Å; I114-D116 PolarHBondContact O-N 3.15Å
115E53Low58.2Low186 Ų186122.3 Ų122.387%0.86970%0.702SS**  trans-70.875166.7-65.5171.8166.300107.6P117E115-P117 VanDerWaalsContact O-CD 3.22Å; E115-P117 WeakPolarHBondContact O-CD 3.4Å; E115-P117 VanDerWaalsContact O-N 3.16Å
116D60.2Low59.7Low76 Ų76118.9 Ų118.941%0.40668%0.682SS.*  trans-64.7113-176.8-84.1-42.5000110I114 E118 L119I114-D116 VanDerWaalsContact CG2-OD1 3.23Å; I114-D116 WeakPolarHBondContact CG2-OD1 3.23Å; I114-D116 PolarHBondContact O-N 3.15Å; D116-E118 PolarHBondContact O-N 3.08Å; D116-L119 HydrophobicContact CB-CD1 4.17Å; D116-L119 HydrophobicContact CB-CG 4.11Å; D116-L119 PolarHBondContact O-N 3.35Å
117P71.1Confident61.7Low95 Ų95117.1 Ų117.162%0.61767%0.666SS**Hα-helixtrans-64.3-18.5-177.326.7-35000112.3E115 A121E115-P117 VanDerWaalsContact O-CD 3.22Å; E115-P117 WeakPolarHBondContact O-CD 3.4Å; E115-P117 VanDerWaalsContact O-N 3.16Å; P117-A121 WeakPolarHBondContact O-CB 3.22Å; P117-A121 PolarHBondContact O-N 3.05Å; P117-A121 VanDerWaalsContact O-N 3.08Å
118E61.3Low63.6Low149 Ų149119.9 Ų119.970%0.69666%0.659SS**Hα-helixtrans-68.6-34.2173.3-60.7-164.3157.500112.7D116 A121 I122D116-E118 PolarHBondContact O-N 3.08Å; E118-A121 PolarHBondContact O-N 2.97Å; E118-I122 WeakPolarHBondContact O-CD1 3.42Å; E118-I122 VanDerWaalsContact O-CG1 3.24Å; E118-I122 WeakPolarHBondContact O-CG1 3.24Å; E118-I122 PolarHBondContact O-N 3.47Å
119L58.5Low65Low114 Ų114118.3 Ų118.360%0.59765%0.648SS**Hα-helixtrans-71.4-38.1178-69.2178.5000111.6D116 I122 K123D116-L119 HydrophobicContact CB-CD1 4.17Å; D116-L119 HydrophobicContact CB-CG 4.11Å; D116-L119 PolarHBondContact O-N 3.35Å; L119-I122 PolarHBondContact O-N 3.01Å; L119-K123 WeakPolarHBondContact O-CB 3.46Å; L119-K123 PolarHBondContact O-N 2.94Å
120E72.8Confident66.6Low149 Ų149118 Ų11870%0.69664%0.636SS**Hα-helixtrans-65.1-42.5171.9-63.1-158.4145.100111.6I122 K123 A124E120-I122 PolarHBondContact O-N 3.17Å; E120-K123 PolarHBondContact O-N 3.42Å; E120-A124 WeakPolarHBondContact O-CB 3.44Å; E120-A124 PolarHBondContact O-N 3.06Å
121A76.9Confident68.5Low59 Ų59118.6 Ų118.649%0.48862%0.62SS.*Hα-helixtrans-61.7-40.6176.100000112.7P117 E118 R125P117-A121 WeakPolarHBondContact O-CB 3.22Å; P117-A121 PolarHBondContact O-N 3.05Å; P117-A121 VanDerWaalsContact O-N 3.08Å; E118-A121 PolarHBondContact O-N 2.97Å; A121-R125 WeakPolarHBondContact O-CB 3.43Å; A121-R125 PolarHBondContact O-N 2.85Å
122I72.1Confident70.2Confident106 Ų106116.6 Ų116.654%0.54461%0.605SS.*Hα-helixtrans-64.5-45.3174.6-69.7162.7000110.5E118 L119 E120 A124 R125 V126E118-I122 WeakPolarHBondContact O-CD1 3.42Å; E118-I122 VanDerWaalsContact O-CG1 3.24Å; E118-I122 WeakPolarHBondContact O-CG1 3.24Å; E118-I122 PolarHBondContact O-N 3.47Å; L119-I122 PolarHBondContact O-N 3.01Å; E120-I122 PolarHBondContact O-N 3.17Å; I122-A124 PolarHBondContact O-N 3.25Å; I122-R125 PolarHBondContact O-N 3.49Å; I122-V126 WeakPolarHBondContact O-CG2 3.48Å; I122-V126 PolarHBondContact O-N 3.46Å
123K78.1Confident72Confident168 Ų168116.6 Ų116.673%0.7360%0.6SS**Hα-helixtrans-64.5-39.3179.4-171.1175.9-178.7-179.50112.5L119 E120 V126 R127L119-K123 WeakPolarHBondContact O-CB 3.46Å; L119-K123 PolarHBondContact O-N 2.94Å; E120-K123 PolarHBondContact O-N 3.42Å; K123-V126 PolarHBondContact O-N 3.25Å; K123-R127 PolarHBondContact O-N 3.29Å; K123-R127 VanDerWaalsContact O-N 3.15Å
124A86Confident73.9Confident56 Ų56117.6 Ų117.646%0.46359%0.585SS.*Hα-helixtrans-61.7-44.8173.200000111.6E120 I122 V126 R127 E128E120-A124 WeakPolarHBondContact O-CB 3.44Å; E120-A124 PolarHBondContact O-N 3.06Å; I122-A124 PolarHBondContact O-N 3.25Å; A124-V126 PolarHBondContact O-N 3.48Å; A124-R127 WeakPolarHBondContact O-CB 3.4Å; A124-R127 PolarHBondContact O-N 2.97Å; A124-E128 PolarHBondContact O-N 2.88Å
125R77.7Confident75.5Confident191 Ų191117.8 Ų117.872%0.72158%0.582SS**Hα-helixtrans-66.6-35.8178.9-166.8-177.5-174.3-172.63113.5A121 I122 R127 M129A121-R125 WeakPolarHBondContact O-CB 3.43Å; A121-R125 PolarHBondContact O-N 2.85Å; I122-R125 PolarHBondContact O-N 3.49Å; R125-R127 VanDerWaalsContact C-N 3.33Å; R125-M129 WeakPolarHBondContact O-CB 3.46Å; R125-M129 PolarHBondContact O-N 3.21Å; R125-M129 VanDerWaalsContact O-N 3.14Å
126V82.1Confident76.7Confident64 Ų64113.9 Ų113.939%0.38857%0.566SS.*Hα-helixtrans-62.8-44172.8171.10000110.1I122 K123 A124 M129 E130I122-V126 WeakPolarHBondContact O-CG2 3.48Å; I122-V126 PolarHBondContact O-N 3.46Å; K123-V126 PolarHBondContact O-N 3.25Å; A124-V126 PolarHBondContact O-N 3.48Å; V126-M129 PolarHBondContact O-N 3Å; V126-E130 HydrophobicContact CG1-CG 4.42Å; V126-E130 WeakPolarHBondContact O-CG 3.3Å; V126-E130 PolarHBondContact O-N 3.21Å
127R84.3Confident77.8Confident161 Ų161116.6 Ų116.661%0.60857%0.574SS**Hα-helixtrans-62-45.9177.7-171.8-173.9-174.1141.813.3113K123 A124 R125 M129 E130 E131K123-R127 PolarHBondContact O-N 3.29Å; K123-R127 VanDerWaalsContact O-N 3.15Å; A124-R127 WeakPolarHBondContact O-CB 3.4Å; A124-R127 PolarHBondContact O-N 2.97Å; R125-R127 VanDerWaalsContact C-N 3.33Å; R127-M129 VanDerWaalsContact C-N 3.27Å; R127-M129 PolarHBondContact O-N 2.91Å; R127-E130 PolarHBondContact O-N 3.48Å; R127-E131 WeakPolarHBondContact CG-OE1 3.42Å; R127-E131 IonicContact CZ-OE1 3.96Å; R127-E131 IonicContact NE-OE1 3Å; R127-E131 PolarHBondContact NE-OE1 3.45Å; R127-E131 WeakPolarHBondContact O-CG 3.46Å; R127-E131 PolarHBondContact O-N 3.15Å
128E83.9Confident78.4Confident134 Ų134118.5 Ų118.563%0.62658%0.575SS**Hα-helixtrans-58.7-41.1174.9-73.4-174.7144.800111.4A124 E131 E132A124-E128 PolarHBondContact O-N 2.88Å; E128-E131 PolarHBondContact O-N 3.38Å; E128-E132 WeakPolarHBondContact O-CB 3.42Å; E128-E132 WeakPolarHBondContact O-CG 3.44Å; E128-E132 PolarHBondContact O-N 3.14Å
129M74.7Confident79.3Confident124 Ų124116.9 Ų116.961%0.61157%0.571SS**Hα-helixtrans-69.6-31.8178.2-170.9165.257.800113.2R125 V126 R127 A133R125-M129 WeakPolarHBondContact O-CB 3.46Å; R125-M129 PolarHBondContact O-N 3.21Å; R125-M129 VanDerWaalsContact O-N 3.14Å; V126-M129 PolarHBondContact O-N 3Å; R127-M129 VanDerWaalsContact C-N 3.27Å; R127-M129 PolarHBondContact O-N 2.91Å; M129-A133 VanDerWaalsContact O-CB 3.25Å; M129-A133 WeakPolarHBondContact O-CB 3.25Å; M129-A133 PolarHBondContact O-N 3.22Å
130E79.6Confident80.2Confident117 Ų117117 Ų11755%0.54757%0.568SS.*Hα-helixtrans-68-46.7170.6-73.1173.4164.600111.1V126 R127 E132 A133 E134V126-E130 HydrophobicContact CG1-CG 4.42Å; V126-E130 WeakPolarHBondContact O-CG 3.3Å; V126-E130 PolarHBondContact O-N 3.21Å; R127-E130 PolarHBondContact O-N 3.48Å; E130-E132 VanDerWaalsContact C-N 3.32Å; E130-E132 PolarHBondContact O-N 2.9Å; E130-A133 PolarHBondContact O-N 2.97Å; E130-A133 VanDerWaalsContact O-N 3.15Å; E130-E134 WeakPolarHBondContact O-CG 3.42Å; E130-E134 PolarHBondContact O-N 3Å
131E85.3Confident80.5Confident82 Ų82113.2 Ų113.238%0.38355%0.553SS.*Hα-helixtrans-65.9-29.8177.7-69.6179.6-160.600113R127 E128 K135R127-E131 WeakPolarHBondContact CG-OE1 3.42Å; R127-E131 IonicContact CZ-OE1 3.96Å; R127-E131 IonicContact NE-OE1 3Å; R127-E131 PolarHBondContact NE-OE1 3.45Å; R127-E131 WeakPolarHBondContact O-CG 3.46Å; R127-E131 PolarHBondContact O-N 3.15Å; E128-E131 PolarHBondContact O-N 3.38Å; E131-K135 WeakPolarHBondContact O-CD 3.48Å; E131-K135 WeakPolarHBondContact O-CG 3.41Å; E131-K135 PolarHBondContact O-N 3.01Å
132E78Confident80.6Confident131 Ų131114.6 Ų114.661%0.61255%0.549SS*.Hα-helixtrans-73.3-40.8169.4-75.6-171.4160.500112.3E128 E130 K135 L136E128-E132 WeakPolarHBondContact O-CB 3.42Å; E128-E132 WeakPolarHBondContact O-CG 3.44Å; E128-E132 PolarHBondContact O-N 3.14Å; E130-E132 VanDerWaalsContact C-N 3.32Å; E130-E132 PolarHBondContact O-N 2.9Å; E132-K135 PolarHBondContact O-N 3.47Å; E132-L136 WeakPolarHBondContact O-CB 3.5Å; E132-L136 PolarHBondContact O-N 3.19Å
133A79.7Confident80.8Confident56 Ų56112.7 Ų112.746%0.46354%0.542SS..Hα-helixtrans-65.9-37.5177.700000112.4M129 E130 L136 K137M129-A133 VanDerWaalsContact O-CB 3.25Å; M129-A133 WeakPolarHBondContact O-CB 3.25Å; M129-A133 PolarHBondContact O-N 3.22Å; E130-A133 PolarHBondContact O-N 2.97Å; E130-A133 VanDerWaalsContact O-N 3.15Å; A133-L136 PolarHBondContact O-N 3.15Å; A133-K137 WeakPolarHBondContact O-CB 3.4Å; A133-K137 PolarHBondContact O-N 3.48Å
134E86.1Confident80.3Confident133 Ų133110.6 Ų110.662%0.62154%0.535SS*.Hα-helixtrans-64-46.3174.5-73.8-174.1163.500111.7E130 L136 K137 E138E130-E134 WeakPolarHBondContact O-CG 3.42Å; E130-E134 PolarHBondContact O-N 3Å; E134-L136 VanDerWaalsContact C-N 3.33Å; E134-L136 PolarHBondContact O-N 3.37Å; E134-K137 WeakPolarHBondContact O-CB 3.3Å; E134-K137 PolarHBondContact O-N 3.01Å; E134-K137 VanDerWaalsContact O-N 3.1Å; E134-E138 PolarHBondContact O-N 3.43Å
135K84.1Confident79.5Confident123 Ų123114.5 Ų114.554%0.53554%0.542SS..Hα-helixtrans-61.2-39.4175-73.1166.8-172.4146.90112.7E131 E132 K137 E138 L139E131-K135 WeakPolarHBondContact O-CD 3.48Å; E131-K135 WeakPolarHBondContact O-CG 3.41Å; E131-K135 PolarHBondContact O-N 3.01Å; E132-K135 PolarHBondContact O-N 3.47Å; K135-K137 VanDerWaalsContact C-N 3.33Å; K135-E138 PolarHBondContact O-N 2.89Å; K135-L139 WeakPolarHBondContact O-CB 3.46Å; K135-L139 PolarHBondContact O-N 2.89Å
136L78.2Confident78.7Confident103 Ų103111.4 Ų111.454%0.53954%0.535SS..Hα-helixtrans-63.5-39173.8-92.5156.7000112E132 A133 E134 Q140E132-L136 WeakPolarHBondContact O-CB 3.5Å; E132-L136 PolarHBondContact O-N 3.19Å; A133-L136 PolarHBondContact O-N 3.15Å; E134-L136 VanDerWaalsContact C-N 3.33Å; E134-L136 PolarHBondContact O-N 3.37Å; L136-Q140 WeakPolarHBondContact O-CB 3.4Å; L136-Q140 VanDerWaalsContact O-CG 3.3Å; L136-Q140 WeakPolarHBondContact O-CG 3.21Å; L136-Q140 PolarHBondContact O-N 3.15Å
137K83Confident77.4Confident133 Ų133114.8 Ų114.858%0.57855%0.548SS*.Hα-helixtrans-70.1-38.6176.3-170.2-179.6-178.9-175.30112.3A133 E134 K135 Q140 N141A133-K137 WeakPolarHBondContact O-CB 3.4Å; A133-K137 PolarHBondContact O-N 3.48Å; E134-K137 WeakPolarHBondContact O-CB 3.3Å; E134-K137 PolarHBondContact O-N 3.01Å; E134-K137 VanDerWaalsContact O-N 3.1Å; K135-K137 VanDerWaalsContact C-N 3.33Å; K137-Q140 PolarHBondContact O-N 3.42Å; K137-N141 WeakPolarHBondContact O-CB 3.39Å; K137-N141 PolarHBondContact O-N 3.39Å; K137-N141 PolarHBondContact O-ND2 3.1Å
138E84.6Confident76.2Confident136 Ų136114 Ų11464%0.63656%0.556SS**Hα-helixtrans-64.1-45.3172.7-72.9-169.3149.200111.8E134 K135 Q140 N141 E142E134-E138 PolarHBondContact O-N 3.43Å; K135-E138 PolarHBondContact O-N 2.89Å; E138-Q140 VanDerWaalsContact C-N 3.33Å; E138-Q140 PolarHBondContact O-N 2.96Å; E138-N141 PolarHBondContact O-N 3.46Å; E138-E142 WeakPolarHBondContact O-CB 3.17Å; E138-E142 PolarHBondContact O-N 2.95Å
139L80Confident74.8Confident115 Ų115115.3 Ų115.360%0.60257%0.565SS**Hα-helixtrans-60.4-40.6174.1-84.2163.6000112.4K135 V143K135-L139 WeakPolarHBondContact O-CB 3.46Å; K135-L139 PolarHBondContact O-N 2.89Å; L139-V143 VanDerWaalsContact O-CB 3.32Å; L139-V143 WeakPolarHBondContact O-CB 3.45Å; L139-V143 WeakPolarHBondContact O-CG2 3.48Å; L139-V143 PolarHBondContact O-N 2.86Å
140Q77.6Confident73.7Confident116 Ų116113.7 Ų113.754%0.54257%0.565SS.*Hα-helixtrans-64.7-48174.3-75.8173.76.200111.8L136 K137 E138 E142 V143 E144L136-Q140 WeakPolarHBondContact O-CB 3.4Å; L136-Q140 VanDerWaalsContact O-CG 3.3Å; L136-Q140 WeakPolarHBondContact O-CG 3.21Å; L136-Q140 PolarHBondContact O-N 3.15Å; K137-Q140 PolarHBondContact O-N 3.42Å; E138-Q140 VanDerWaalsContact C-N 3.33Å; E138-Q140 PolarHBondContact O-N 2.96Å; Q140-E142 VanDerWaalsContact C-N 3.3Å; Q140-E142 PolarHBondContact O-N 3.43Å; Q140-V143 PolarHBondContact O-N 2.96Å; Q140-E144 WeakPolarHBondContact O-CB 3.44Å; Q140-E144 WeakPolarHBondContact O-CG 3.45Å; Q140-E144 PolarHBondContact O-N 3.41Å
141N79.1Confident72.7Confident69 Ų69113.6 Ų113.637%0.36958%0.575SS.*Hα-helixtrans-60.8-37.8177.5-71.1-22.1000112.6K137 E138 K145K137-N141 WeakPolarHBondContact O-CB 3.39Å; K137-N141 PolarHBondContact O-N 3.39Å; K137-N141 PolarHBondContact O-ND2 3.1Å; E138-N141 PolarHBondContact O-N 3.46Å; N141-K145 WeakPolarHBondContact O-CB 3.46Å; N141-K145 VanDerWaalsContact O-CG 3.26Å; N141-K145 WeakPolarHBondContact O-CG 3.25Å; N141-K145 PolarHBondContact O-N 3.21Å
142E78.4Confident71.2Confident88 Ų88114.9 Ų114.941%0.41159%0.59SS.*Hα-helixtrans-72.2-41.8178.1-173.456-152.300111.3E138 Q140 E144 K145 Q146E138-E142 WeakPolarHBondContact O-CB 3.17Å; E138-E142 PolarHBondContact O-N 2.95Å; Q140-E142 VanDerWaalsContact C-N 3.3Å; Q140-E142 PolarHBondContact O-N 3.43Å; E142-E144 VanDerWaalsContact C-N 3.35Å; E142-E144 PolarHBondContact O-N 3.47Å; E142-K145 PolarHBondContact O-N 3.4Å; E142-Q146 WeakPolarHBondContact O-CB 3.46Å; E142-Q146 WeakPolarHBondContact O-CG 3.43Å; E142-Q146 PolarHBondContact O-N 3.45Å; E142-Q146 PolarHBondContact OE1-NE2 3.43Å
143V76.3Confident69.5Low66 Ų66115.3 Ų115.340%0.461%0.605SS.*Hα-helixtrans-62-41.1172.3168.80000111.2L139 Q140 Q146 M147L139-V143 VanDerWaalsContact O-CB 3.32Å; L139-V143 WeakPolarHBondContact O-CB 3.45Å; L139-V143 WeakPolarHBondContact O-CG2 3.48Å; L139-V143 PolarHBondContact O-N 2.86Å; Q140-V143 PolarHBondContact O-N 2.96Å; V143-Q146 PolarHBondContact O-N 3.29Å; V143-M147 HydrophobicContact CG1-CE 3.54Å; V143-M147 HydrophobicContact CG1-CG 4.19Å; V143-M147 HydrophobicContact CG1-SD 3.64Å; V143-M147 VanDerWaalsContact O-CB 3.25Å; V143-M147 WeakPolarHBondContact O-CB 3.45Å; V143-M147 WeakPolarHBondContact O-CG 3.41Å; V143-M147 PolarHBondContact O-N 2.89Å
144E68Low67.9Low124 Ų124116.2 Ų116.258%0.57962%0.619SS**Hα-helixtrans-63.6-43.8174.9-76.4-178.7177.400112.3Q140 E142 Q146 M147 N148Q140-E144 WeakPolarHBondContact O-CB 3.44Å; Q140-E144 WeakPolarHBondContact O-CG 3.45Å; Q140-E144 PolarHBondContact O-N 3.41Å; E142-E144 VanDerWaalsContact C-N 3.35Å; E142-E144 PolarHBondContact O-N 3.47Å; E144-Q146 PolarHBondContact O-N 3.08Å; E144-M147 PolarHBondContact O-N 3.24Å; E144-N148 WeakPolarHBondContact O-CB 3.29Å; E144-N148 PolarHBondContact O-N 2.97Å
145K68.7Low66Low139 Ų139117.3 Ų117.360%0.60463%0.629SS**Hα-helixtrans-61-43.6174.6-75.9170-174.9173.60112.3N141 E142 N148N141-K145 WeakPolarHBondContact O-CB 3.46Å; N141-K145 VanDerWaalsContact O-CG 3.26Å; N141-K145 WeakPolarHBondContact O-CG 3.25Å; N141-K145 PolarHBondContact O-N 3.21Å; E142-K145 PolarHBondContact O-N 3.4Å; K145-N148 PolarHBondContact O-N 3.28Å
146Q60.7Low63.9Low126 Ų126117 Ų11759%0.58965%0.649SS**Hα-helixtrans-71-37.4178.7-69-178.218.200112E142 V143 E144 N148 M149E142-Q146 WeakPolarHBondContact O-CB 3.46Å; E142-Q146 WeakPolarHBondContact O-CG 3.43Å; E142-Q146 PolarHBondContact O-N 3.45Å; E142-Q146 PolarHBondContact OE1-NE2 3.43Å; V143-Q146 PolarHBondContact O-N 3.29Å; E144-Q146 PolarHBondContact O-N 3.08Å; Q146-N148 VanDerWaalsContact C-N 3.31Å; Q146-N148 PolarHBondContact O-N 3.01Å; Q146-M149 PolarHBondContact O-N 2.61Å
147M55.8Low62.5Low134 Ų134114.2 Ų114.266%0.6665%0.646SS**Hα-helixtrans-70.4-23.8176.3-73.7-177.9176.300113.3V143 E144 M149V143-M147 HydrophobicContact CG1-CE 3.54Å; V143-M147 HydrophobicContact CG1-CG 4.19Å; V143-M147 HydrophobicContact CG1-SD 3.64Å; V143-M147 VanDerWaalsContact O-CB 3.25Å; V143-M147 WeakPolarHBondContact O-CB 3.45Å; V143-M147 WeakPolarHBondContact O-CG 3.41Å; V143-M147 PolarHBondContact O-N 2.89Å; E144-M147 PolarHBondContact O-N 3.24Å; M147-M149 PolarHBondContact O-N 2.88Å
148N58.6Low61.1Low144 Ų144113.7 Ų113.777%0.7766%0.656SS**THydrogen-bonded Turntrans-76-2.3173-88.44.1000114.8E144 K145 Q146E144-N148 WeakPolarHBondContact O-CB 3.29Å; E144-N148 PolarHBondContact O-N 2.97Å; K145-N148 PolarHBondContact O-N 3.28Å; Q146-N148 VanDerWaalsContact C-N 3.31Å; Q146-N148 PolarHBondContact O-N 3.01Å
149M55.5Low59.6Low163 Ų163112.9 Ų112.980%0.80366%0.66SS**THydrogen-bonded Turntrans-108.11.6178.7-76.1-66.9-178.800115Q146 M147Q146-M149 PolarHBondContact O-N 2.61Å; M147-M149 PolarHBondContact O-N 2.88Å
150S51.2Low58.5Low90 Ų90114.7 Ų114.763%0.62967%0.669SS**SBendtrans-163.7125.1163.9-85.10000112.4
151P58.1Low58Low114 Ų114112.9 Ų112.974%0.7466%0.662SS**  trans-67.9135.8174.228.9-33.7000110.6
152P52.9Low58Low109 Ų109111.7 Ų111.771%0.70866%0.659SS**  trans-65.8132.6-179.725.3-33.7000111.5G154P152-G154 PolarHBondContact O-N 3.04Å
153P43.2Very low58.2Low141 Ų141112.8 Ų112.892%0.91667%0.666SS**THydrogen-bonded Turntrans-76.587.9179.131.6-34.3000110
154G46.1Very low58.6Low75 Ų75116.9 Ų116.977%0.77368%0.681SS**THydrogen-bonded Turntrans179.1-8.5178.700000118.8P152P152-G154 PolarHBondContact O-N 3.04Å
155N45.3Very low59.5Low156 Ų156115.6 Ų115.683%0.83468%0.675SS**  trans-13896.7-176.9-135.5-5.8000112G157N155-G157 PolarHBondContact O-N 3.49Å
156A41.3Very low60.4Low115 Ų115113.1 Ų113.195%0.9566%0.664SS**  trans-76.846.3-179.500000113.1
157G48Very low61.7Low46 Ų46110.8 Ų110.847%0.47465%0.654SS.*SBendtrans-83.7157.8166.100000110.8N155 V159N155-G157 PolarHBondContact O-N 3.49Å; G157-V159 PolarHBondContact O-N 2.9Å
158P53.9Low63.4Low122 Ų122109.3 Ų109.379%0.79265%0.645SS**PPolyproline II helixtrans-61.7122.9170.427.5-32.9000108.8I160P158-I160 PolarHBondContact O-N 3.27Å; P158-I160 VanDerWaalsContact O-N 3.14Å
159V52.6Low64.9Low118 Ų118103 Ų10372%0.71561%0.613SS**PPolyproline II helixtrans-48.1123.8172.9-174.60000107.8G157 M161G157-V159 PolarHBondContact O-N 2.9Å; V159-M161 PolarHBondContact O-N 3.47Å
160I58Low66.7Low154 Ų15496.1 Ų96.179%0.7958%0.58SS**  trans-79.269.5-179.5-49.3178.9000107.5P158 S162P158-I160 PolarHBondContact O-N 3.27Å; P158-I160 VanDerWaalsContact O-N 3.14Å; I160-S162 PolarHBondContact O-N 2.94Å
161M66.1Low68.7Low78 Ų7894.5 Ų94.538%0.38457%0.572SS.*  trans-46.4140.7164.4-72.7165.8163.400108.5V159 E165 K166V159-M161 PolarHBondContact O-N 3.47Å; M161-E165 WeakPolarHBondContact CA-OE2 3.43Å; M161-E165 HydrophobicContact CB-CB 4.18Å; M161-E165 VanDerWaalsContact CB-OE2 3.27Å; M161-E165 WeakPolarHBondContact CB-OE2 3.15Å; M161-K166 HydrophobicContact CB-CD 4.41Å; M161-K166 HydrophobicContact CB-CG 3.88Å; M161-K166 WeakPolarHBondContact O-CE 3.32Å; M161-K166 PolarHBondContact O-NZ 3.13Å
162S79.9Confident70.4Confident44 Ų4492.2 Ų92.231%0.30855%0.549SS..  trans-57.8159.9178.868.20000111I160 E164 E165 K166I160-S162 PolarHBondContact O-N 2.94Å; S162-E164 PolarHBondContact O-N 3.3Å; S162-E165 WeakPolarHBondContact CB-OE1 3.2Å; S162-E165 VanDerWaalsContact N-CD 3.34Å; S162-E165 PolarHBondContact N-OE1 3.48Å; S162-E165 PolarHBondContact N-OE2 3.18Å; S162-E165 PolarHBondContact O-N 2.99Å; S162-E165 WeakPolarHBondContact OG-CB 3.32Å; S162-E165 VanDerWaalsContact OG-CG 3.25Å; S162-E165 WeakPolarHBondContact OG-CG 3.37Å; S162-E165 PolarHBondContact OG-N 3.49Å; S162-E165 VanDerWaalsContact OG-N 3.08Å; S162-E165 PolarHBondContact OG-OE1 3.29Å; S162-K166 WeakPolarHBondContact O-CG 3.31Å; S162-K166 PolarHBondContact O-N 2.82Å
163I82.7Confident72.5Confident111 Ų11187.1 Ų87.157%0.56952%0.516SS*.Hα-helixtrans-60.8-33.1177.2-62.6176.2000109.8M167I163-M167 HydrophobicContact CG2-SD 4.13Å; I163-M167 WeakPolarHBondContact O-CB 3.44Å; I163-M167 VanDerWaalsContact O-CG 3.29Å; I163-M167 WeakPolarHBondContact O-CG 3.2Å; I163-M167 PolarHBondContact O-N 2.95Å
164E84.6Confident75Confident151 Ų15180.4 Ų80.471%0.70647%0.472SS*.Hα-helixtrans-68.5-53.6178.3-62.4178.4173.900111.1S162 K166 M167 E168S162-E164 PolarHBondContact O-N 3.3Å; E164-K166 VanDerWaalsContact C-N 3.27Å; E164-K166 PolarHBondContact O-N 3.36Å; E164-M167 CarbonylContact O-C 3.58Å; E164-M167 WeakPolarHBondContact O-CA 3.36Å; E164-M167 WeakPolarHBondContact O-CB 3.49Å; E164-M167 PolarHBondContact O-N 3.44Å; E164-E168 WeakPolarHBondContact O-CG 3.26Å; E164-E168 PolarHBondContact O-N 2.86Å
165E86.9Confident77.4Confident98 Ų9880.1 Ų80.146%0.45845%0.448SS..Hα-helixtrans-52-44.6173.1-76150.3-123.300112.3M161 S162 M167 E168 A169M161-E165 WeakPolarHBondContact CA-OE2 3.43Å; M161-E165 HydrophobicContact CB-CB 4.18Å; M161-E165 VanDerWaalsContact CB-OE2 3.27Å; M161-E165 WeakPolarHBondContact CB-OE2 3.15Å; S162-E165 WeakPolarHBondContact CB-OE1 3.2Å; S162-E165 VanDerWaalsContact N-CD 3.34Å; S162-E165 PolarHBondContact N-OE1 3.48Å; S162-E165 PolarHBondContact N-OE2 3.18Å; S162-E165 PolarHBondContact O-N 2.99Å; S162-E165 WeakPolarHBondContact OG-CB 3.32Å; S162-E165 VanDerWaalsContact OG-CG 3.25Å; S162-E165 WeakPolarHBondContact OG-CG 3.37Å; S162-E165 PolarHBondContact OG-N 3.49Å; S162-E165 VanDerWaalsContact OG-N 3.08Å; S162-E165 PolarHBondContact OG-OE1 3.29Å; E165-M167 VanDerWaalsContact C-N 3.34Å; E165-M167 PolarHBondContact O-N 2.71Å; E165-E168 PolarHBondContact O-N 3.47Å; E165-A169 VanDerWaalsContact O-CB 3.31Å; E165-A169 WeakPolarHBondContact O-CB 3.31Å; E165-A169 PolarHBondContact O-N 2.66Å
166K87.4Confident79.8Confident86 Ų8672.7 Ų72.737%0.37441%0.408SS..Hα-helixtrans-62.9-40177.2-76170.9173.1130.90112M161 S162 E164 D170M161-K166 HydrophobicContact CB-CD 4.41Å; M161-K166 HydrophobicContact CB-CG 3.88Å; M161-K166 WeakPolarHBondContact O-CE 3.32Å; M161-K166 PolarHBondContact O-NZ 3.13Å; S162-K166 WeakPolarHBondContact O-CG 3.31Å; S162-K166 PolarHBondContact O-N 2.82Å; E164-K166 VanDerWaalsContact C-N 3.27Å; E164-K166 PolarHBondContact O-N 3.36Å; K166-D170 WeakPolarHBondContact O-CB 3.27Å; K166-D170 PolarHBondContact O-N 2.84Å
167M87.9Confident82.5Confident78 Ų7867.3 Ų67.338%0.38437%0.365SS..Hα-helixtrans-68.7-34.8176.1-77.6177.950.300112.3I163 E164 E165 A171I163-M167 HydrophobicContact CG2-SD 4.13Å; I163-M167 WeakPolarHBondContact O-CB 3.44Å; I163-M167 VanDerWaalsContact O-CG 3.29Å; I163-M167 WeakPolarHBondContact O-CG 3.2Å; I163-M167 PolarHBondContact O-N 2.95Å; E164-M167 CarbonylContact O-C 3.58Å; E164-M167 WeakPolarHBondContact O-CA 3.36Å; E164-M167 WeakPolarHBondContact O-CB 3.49Å; E164-M167 PolarHBondContact O-N 3.44Å; E165-M167 VanDerWaalsContact C-N 3.34Å; E165-M167 PolarHBondContact O-N 2.71Å; M167-A171 VanDerWaalsContact O-CB 3.31Å; M167-A171 WeakPolarHBondContact O-CB 3.06Å; M167-A171 PolarHBondContact O-N 2.81Å
168E90.4Very high84.7Confident102 Ų10269 Ų6948%0.47736%0.362SS..Hα-helixtrans-73.8-42.8176.1-63.7-146115.900112.9E164 E165 D170 A171 R172 K223E164-E168 WeakPolarHBondContact O-CG 3.26Å; E164-E168 PolarHBondContact O-N 2.86Å; E165-E168 PolarHBondContact O-N 3.47Å; E168-D170 VanDerWaalsContact C-N 3.35Å; E168-A171 PolarHBondContact O-N 3.14Å; E168-R172 PolarHBondContact O-N 3.05Å; E168-K223 IonicContact OE1-NZ 3.56Å; E168-K223 PolarHBondContact OE1-NZ 3.34Å; E168-K223 VanDerWaalsContact OE1-NZ 3.13Å
169A91.8Very high86.7Confident11 Ų1163.2 Ų63.29%0.09133%0.325CS..Hα-helixtrans-60.3-44.4170.200000110.9E165 A171 R172 S173 E219E165-A169 VanDerWaalsContact O-CB 3.31Å; E165-A169 WeakPolarHBondContact O-CB 3.31Å; E165-A169 PolarHBondContact O-N 2.66Å; A169-A171 VanDerWaalsContact C-N 3.31Å; A169-A171 PolarHBondContact O-N 2.65Å; A169-R172 CarbonylContact O-C 3.52Å; A169-R172 PolarHBondContact O-N 2.87Å; A169-S173 WeakPolarHBondContact O-CB 3.46Å; A169-S173 PolarHBondContact O-N 3.09Å; A169-S173 VanDerWaalsContact O-N 3.09Å; A169-S173 PolarHBondContact O-OG 3.48Å; A169-E219 WeakPolarHBondContact CB-OE1 3.47Å
170D92.1Very high88.7Confident19 Ų1959.3 Ų59.310%0.10230%0.3CS..Hα-helixtrans-59.1-40.3173.3-78.7-17.1000112K166 E168 R172 S173 K247 T249K166-D170 WeakPolarHBondContact O-CB 3.27Å; K166-D170 PolarHBondContact O-N 2.84Å; E168-D170 VanDerWaalsContact C-N 3.35Å; D170-R172 VanDerWaalsContact C-N 3.32Å; D170-R172 PolarHBondContact O-N 3.02Å; D170-S173 PolarHBondContact O-N 3.41Å; D170-S173 VanDerWaalsContact O-N 3.17Å; D170-K247 WeakPolarHBondContact OD1-CE 3.2Å; D170-K247 IonicContact OD1-NZ 3.69Å; D170-K247 PolarHBondContact OD1-NZ 3.21Å; D170-T249 WeakPolarHBondContact OD2-CA 3.23Å; D170-T249 WeakPolarHBondContact OD2-CB 3.34Å; D170-T249 PolarHBondContact OD2-OG1 2.89Å
171A93.2Very high90.4Very high57 Ų5758.7 Ų58.747%0.47129%0.289SS..Hα-helixtrans-70.8-24.1178.700000114M167 E168 A169M167-A171 VanDerWaalsContact O-CB 3.31Å; M167-A171 WeakPolarHBondContact O-CB 3.06Å; M167-A171 PolarHBondContact O-N 2.81Å; E168-A171 PolarHBondContact O-N 3.14Å; A169-A171 VanDerWaalsContact C-N 3.31Å; A169-A171 PolarHBondContact O-N 2.65Å
172R94.5Very high91.7Very high66 Ų6656.8 Ų56.825%0.24929%0.29CS..THydrogen-bonded Turntrans-92.75.5170.5-66.6-173.4-63.2177.45.9113.7E168 A169 D170 E219 F220 S221 K223 V226E168-R172 PolarHBondContact O-N 3.05Å; A169-R172 CarbonylContact O-C 3.52Å; A169-R172 PolarHBondContact O-N 2.87Å; D170-R172 VanDerWaalsContact C-N 3.32Å; D170-R172 PolarHBondContact O-N 3.02Å; R172-E219 IonicContact NH2-OE1 3.93Å; R172-F220 WeakPolarHBondContact CB-O 3.49Å; R172-F220 PolarHBondContact O-N 2.84Å; R172-S221 WeakPolarHBondContact CD-O 3.11Å; R172-S221 PolarHBondContact NH1-O 3.17Å; R172-K223 HydrophobicContact CG-CB 4.4Å; R172-K223 HydrophobicContact CG-CG 3.48Å; R172-K223 VanDerWaalsContact CG-CG 3.48Å; R172-V226 WeakPolarHBondContact O-CG2 3.17Å
173S95.6Very high92.4Very high2 Ų255.4 Ų55.41%0.01428%0.281CS..EExtended strand (participates in β ladder)trans-106.5149.3-176.3-66.40000113.1A169 D170 I218 K247A169-S173 WeakPolarHBondContact O-CB 3.46Å; A169-S173 PolarHBondContact O-N 3.09Å; A169-S173 VanDerWaalsContact O-N 3.09Å; A169-S173 PolarHBondContact O-OG 3.48Å; D170-S173 PolarHBondContact O-N 3.41Å; D170-S173 VanDerWaalsContact O-N 3.17Å; S173-I218 CarbonylContact C-O 3.57Å; S173-I218 WeakPolarHBondContact CA-O 3.47Å; S173-I218 WeakPolarHBondContact CB-O 3.46Å; S173-K247 VanDerWaalsContact O-CB 3.23Å; S173-K247 WeakPolarHBondContact O-CB 3.24Å; S173-K247 PolarHBondContact O-N 2.87Å
174I96.5Very high93Very high0 Ų052.8 Ų52.80%027%0.27CS..EExtended strand (participates in β ladder)trans-110.7154.6167.156.7170.6000111.7V176 F192 Y217 I218 F220 V226 V244I174-V176 HydrophobicContact CD1-CG2 3.86Å; I174-V176 HydrophobicContact CG1-CG2 4.21Å; I174-F192 HydrophobicContact CD1-CD1 3.88Å; I174-F192 HydrophobicContact CD1-CE1 3.7Å; I174-F192 HydrophobicContact CD1-CE2 4.48Å; I174-F192 HydrophobicContact CD1-CG 4.35Å; I174-F192 HydrophobicContact CD1-CZ 4.02Å; I174-Y217 VanDerWaalsContact O-CA 3.3Å; I174-Y217 WeakPolarHBondContact O-CA 3.32Å; I174-I218 HydrophobicContact CD1-CB 4.18Å; I174-I218 HydrophobicContact CD1-CD1 4.35Å; I174-I218 HydrophobicContact CG1-CB 3.81Å; I174-I218 PolarHBondContact N-O 3.1Å; I174-I218 PolarHBondContact O-N 2.69Å; I174-I218 VanDerWaalsContact O-N 3.12Å; I174-F220 HydrophobicContact CD1-CE2 3.69Å; I174-F220 HydrophobicContact CD1-CZ 3.86Å; I174-F220 HydrophobicContact CG1-CE2 3.76Å; I174-F220 HydrophobicContact CG1-CZ 4.36Å; I174-F220 HydrophobicContact CG2-CE2 4.07Å; I174-V226 HydrophobicContact CG2-CB 4.45Å; I174-V226 HydrophobicContact CG2-CG1 3.99Å; I174-V226 HydrophobicContact CG2-CG2 4.42Å; I174-V244 HydrophobicContact CB-CG1 4.24Å; I174-V244 HydrophobicContact CD1-CG1 3.92Å; I174-V244 HydrophobicContact CG2-CG1 4.29Å
175Y96.9Very high93.4Very high68 Ų6847.7 Ų47.727%0.26725%0.254SS..EExtended strand (participates in β ladder)trans-98128162.6166.9-94.5000108.6F215 Y217 V244 I245Y175-F215 HydrophobicContact CE2-CB 3.68Å; Y175-F215 AromaticContact CE2-CD2 3.86Å; Y175-F215 HydrophobicContact CE2-CD2 3.86Å; Y175-F215 AromaticContact CE2-CG 3.94Å; Y175-F215 HydrophobicContact CE2-CG 3.94Å; Y175-Y217 HydrophobicContact CD2-CD1 4.28Å; Y175-Y217 AromaticContact CD2-CE1 3.65Å; Y175-Y217 HydrophobicContact CD2-CE1 3.65Å; Y175-Y217 HydrophobicContact CG-CE1 4.3Å; Y175-V244 WeakPolarHBondContact O-CA 3.49Å; Y175-I245 HydrophobicContact CD1-CB 4.28Å; Y175-I245 HydrophobicContact CD1-CD1 4.2Å; Y175-I245 HydrophobicContact CD1-CG1 4.32Å; Y175-I245 HydrophobicContact CE1-CD1 4.47Å; Y175-I245 PolarHBondContact N-O 3.37Å; Y175-I245 PolarHBondContact O-N 3.29Å
176V96.4Very high93.8Very high0 Ų050.4 Ų50.40%027%0.267CS..EExtended strand (participates in β ladder)trans-114115.6173.5-166.70000108.3I174 V179 F192 F215 A216 I218 I242 K243I174-V176 HydrophobicContact CD1-CG2 3.86Å; I174-V176 HydrophobicContact CG1-CG2 4.21Å; V176-V179 HydrophobicContact CB-CG2 3.99Å; V176-V179 HydrophobicContact CG1-CG2 3.54Å; V176-F192 HydrophobicContact CG1-CE2 4.22Å; V176-F192 HydrophobicContact CG1-CZ 4.24Å; V176-F192 HydrophobicContact CG2-CE2 3.82Å; V176-F192 HydrophobicContact CG2-CZ 3.86Å; V176-F215 CarbonylContact O-C 3.58Å; V176-F215 WeakPolarHBondContact O-CA 3.45Å; V176-F215 WeakPolarHBondContact O-CB 3.49Å; V176-A216 PolarHBondContact N-O 2.76Å; V176-A216 PolarHBondContact O-N 2.79Å; V176-I218 HydrophobicContact CG2-CD1 3.88Å; V176-I218 HydrophobicContact CG2-CG1 4.25Å; V176-I242 HydrophobicContact CG1-CB 4.05Å; V176-I242 HydrophobicContact CG1-CD1 3.97Å; V176-I242 HydrophobicContact CG1-CG2 4.34Å; V176-K243 CarbonylContact C-O 3.57Å; V176-K243 WeakPolarHBondContact CA-O 3.39Å
177G96.3Very high94.2Very high3 Ų349.5 Ų49.53%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-108.1164.8178.600000113.1V179 I242 K243G177-V179 PolarHBondContact O-N 3.41Å; G177-I242 WeakPolarHBondContact O-CA 3.44Å; G177-K243 PolarHBondContact N-O 3.22Å; G177-K243 PolarHBondContact O-N 2.9Å
178N96Very high94.6Very high80 Ų8045.8 Ų45.843%0.42825%0.245SC..SBendtrans58.721.8-174.8-162.736.4000114.4G214 R240 Q241N178-G214 PolarHBondContact N-O 3.23Å; N178-R240 PolarHBondContact OD1-NH2 2.99Å; N178-Q241 PolarHBondContact ND2-O 2.77Å
179V95.2Very high94.8Very high2 Ų245 Ų451%0.01224%0.241CC..  trans-60144.7173.6-179.10000109.3V176 G177 A183 L188 G214 F237 I242V176-V179 HydrophobicContact CB-CG2 3.99Å; V176-V179 HydrophobicContact CG1-CG2 3.54Å; G177-V179 PolarHBondContact O-N 3.41Å; V179-A183 HydrophobicContact CG1-CB 3.44Å; V179-A183 VanDerWaalsContact CG1-CB 3.44Å; V179-L188 HydrophobicContact CG1-CD1 4.33Å; V179-L188 HydrophobicContact CG1-CD2 4.04Å; V179-L188 HydrophobicContact CG2-CD2 4.39Å; V179-G214 PolarHBondContact N-O 2.88Å; V179-G214 VanDerWaalsContact O-CA 3.28Å; V179-G214 WeakPolarHBondContact O-CA 3.17Å; V179-F237 HydrophobicContact CG1-CE1 4.23Å; V179-I242 HydrophobicContact CG2-CG2 4.44Å
180D94.7Very high95Very high35 Ų3547.8 Ų47.819%0.18727%0.265CS..  trans-66.1150.3178.6-170.747.4000112.9G182 A183 R238 R240D180-G182 PolarHBondContact O-N 2.83Å; D180-G182 PolarHBondContact OD2-N 3.22Å; D180-G182 VanDerWaalsContact OD2-N 3.1Å; D180-A183 VanDerWaalsContact O-CB 3.24Å; D180-A183 WeakPolarHBondContact O-CB 3.29Å; D180-A183 PolarHBondContact O-N 3.29Å; D180-R238 HydrophobicContact CB-CB 4.12Å; D180-R238 IonicContact OD2-CZ 3.95Å; D180-R238 IonicContact OD2-NE 3.71Å; D180-R238 PolarHBondContact OD2-NE 3.49Å; D180-R238 IonicContact OD2-NH2 2.95Å; D180-R240 IonicContact OD1-CZ 2.77Å; D180-R240 IonicContact OD1-NH1 2.78Å; D180-R240 PolarHBondContact OD1-NH1 3.33Å
181Y94.2Very high95.1Very high141 Ų14149.3 Ų49.355%0.55327%0.271SS*.THydrogen-bonded Turntrans-72-17.6179.8-59.5-62.5000113.1P212Y181-P212 HydrophobicContact CD1-CG 4.24Å; Y181-P212 WeakPolarHBondContact CD1-O 3.38Å; Y181-P212 WeakPolarHBondContact CE1-O 3.38Å; Y181-P212 WeakPolarHBondContact O-CG 3.36Å
182G92.7Very high95.2Very high39 Ų3946.6 Ų46.640%0.40225%0.249SC..THydrogen-bonded Turntrans-94.46.1172.200000114.8D180 R238D180-G182 PolarHBondContact O-N 2.83Å; D180-G182 PolarHBondContact OD2-N 3.22Å; D180-G182 VanDerWaalsContact OD2-N 3.1Å; G182-R238 PolarHBondContact O-NH1 3.21Å
183A93.7Very high95.2Very high15 Ų1549.3 Ų49.312%0.12426%0.264CS..  trans-67.2133.5-17500000112.6V179 D180 E187 F237V179-A183 HydrophobicContact CG1-CB 3.44Å; V179-A183 VanDerWaalsContact CG1-CB 3.44Å; D180-A183 VanDerWaalsContact O-CB 3.24Å; D180-A183 WeakPolarHBondContact O-CB 3.29Å; D180-A183 PolarHBondContact O-N 3.29Å; A183-E187 WeakPolarHBondContact CA-OE2 3.35Å; A183-F237 HydrophobicContact CB-CE1 3.67Å; A183-F237 HydrophobicContact CB-CZ 4.02Å
184T95.1Very high95Very high56 Ų5653 Ų5334%0.34430%0.303SS..  trans-93.416617271.30000111.5E186 E187 L188T184-E186 VanDerWaalsContact C-N 3.34Å; T184-E187 PolarHBondContact N-OE2 3.43Å; T184-E187 VanDerWaalsContact OG1-CG 3.27Å; T184-E187 WeakPolarHBondContact OG1-CG 3.44Å; T184-E187 PolarHBondContact OG1-N 3.4Å; T184-E187 VanDerWaalsContact OG1-N 3.1Å; T184-L188 PolarHBondContact O-N 2.82Å
185A94.4Very high94.9Very high44 Ų4453.9 Ų53.936%0.36431%0.309SS..Hα-helixtrans-64.9-40.817300000111.4L188 E189 V201A185-L188 PolarHBondContact O-N 2.78Å; A185-E189 WeakPolarHBondContact O-CB 3.27Å; A185-E189 PolarHBondContact O-N 3.44Å; A185-V201 HydrophobicContact CB-CB 4.15Å; A185-V201 HydrophobicContact CB-CG1 4.08Å
186E95.7Very high94.7Very high155 Ų15551.7 Ų51.772%0.72431%0.307SS*.Hα-helixtrans-60.8-42.8178.2-61.5167.3-179.600112.2T184 L188 E189 A190T184-E186 VanDerWaalsContact C-N 3.34Å; E186-L188 PolarHBondContact O-N 3.36Å; E186-E189 PolarHBondContact O-N 3.4Å; E186-A190 WeakPolarHBondContact O-CB 3.48Å; E186-A190 PolarHBondContact O-N 2.93Å
187E95.6Very high94.7Very high66 Ų6655.3 Ų55.331%0.30833%0.332SS..Hα-helixtrans-64.2-39.9176.8-74.5170.6-179.300112.2A183 T184 H191 F237 R238A183-E187 WeakPolarHBondContact CA-OE2 3.35Å; T184-E187 PolarHBondContact N-OE2 3.43Å; T184-E187 VanDerWaalsContact OG1-CG 3.27Å; T184-E187 WeakPolarHBondContact OG1-CG 3.44Å; T184-E187 PolarHBondContact OG1-N 3.4Å; T184-E187 VanDerWaalsContact OG1-N 3.1Å; E187-H191 WeakPolarHBondContact O-CB 3.35Å; E187-H191 PolarHBondContact O-N 3.33Å; E187-H191 VanDerWaalsContact O-N 3.1Å; E187-F237 HydrophobicContact CB-CE2 4.02Å; E187-F237 HydrophobicContact CB-CZ 3.83Å; E187-R238 IonicContact OE1-NH1 3.81Å; E187-R238 PolarHBondContact OE1-NH1 3.41Å; E187-R238 WeakPolarHBondContact OE2-CD 3.49Å; E187-R238 IonicContact OE2-CZ 3.64Å; E187-R238 IonicContact OE2-NE 2.66Å; E187-R238 IonicContact OE2-NH1 3.6Å; E187-R238 PolarHBondContact OE2-NH1 2.98Å
188L95.1Very high94.7Very high0 Ų056.3 Ų56.30%034%0.337CS..Hα-helixtrans-68.9-42.5175.7-71.5173.9000111.3V179 T184 A185 E186 H191 F192 V201 I203 A216 I218 F237V179-L188 HydrophobicContact CG1-CD1 4.33Å; V179-L188 HydrophobicContact CG1-CD2 4.04Å; V179-L188 HydrophobicContact CG2-CD2 4.39Å; T184-L188 PolarHBondContact O-N 2.82Å; A185-L188 PolarHBondContact O-N 2.78Å; E186-L188 PolarHBondContact O-N 3.36Å; L188-H191 PolarHBondContact O-N 3.48Å; L188-F192 WeakPolarHBondContact O-CD2 3.48Å; L188-F192 PolarHBondContact O-N 2.99Å; L188-F192 VanDerWaalsContact O-N 3.13Å; L188-V201 HydrophobicContact CB-CG1 4.28Å; L188-V201 HydrophobicContact CD1-CG1 4.05Å; L188-I203 HydrophobicContact CD1-CD1 4Å; L188-I203 HydrophobicContact CD1-CG1 3.92Å; L188-A216 HydrophobicContact CD1-CB 3.78Å; L188-I218 HydrophobicContact CB-CD1 4.23Å; L188-F237 HydrophobicContact CD2-CE1 4.22Å; L188-F237 HydrophobicContact CD2-CE2 4.14Å; L188-F237 HydrophobicContact CD2-CZ 3.89Å; L188-F237 HydrophobicContact CG-CZ 4.29Å
189E95.6Very high94.6Very high85 Ų8556.6 Ų56.640%0.39734%0.339SS..Hα-helixtrans-59.2-49.1176-172.8174.6164.800111A185 E186 H191 F192 H193 V198 V201A185-E189 WeakPolarHBondContact O-CB 3.27Å; A185-E189 PolarHBondContact O-N 3.44Å; E186-E189 PolarHBondContact O-N 3.4Å; E189-H191 VanDerWaalsContact C-N 3.34Å; E189-H191 PolarHBondContact O-N 3.49Å; E189-F192 CarbonylContact O-C 3.6Å; E189-F192 PolarHBondContact O-N 3.36Å; E189-H193 WeakPolarHBondContact O-CB 3.21Å; E189-H193 PolarHBondContact O-N 2.87Å; E189-V198 HydrophobicContact CG-CB 4.1Å; E189-V198 HydrophobicContact CG-CG1 4.37Å; E189-V198 HydrophobicContact CG-CG2 4.28Å; E189-V201 HydrophobicContact CB-CG2 4.23Å
190A95Very high94.6Very high71 Ų7163.2 Ų63.259%0.58736%0.364SS*.Hα-helixtrans-59.8-40.1176.800000113E186 F192E186-A190 WeakPolarHBondContact O-CB 3.48Å; E186-A190 PolarHBondContact O-N 2.93Å; A190-F192 VanDerWaalsContact C-N 3.34Å; A190-F192 PolarHBondContact O-N 3.19Å
191H94.4Very high94.6Very high51 Ų5163 Ų6324%0.23636%0.363CS..Hα-helixtrans-64.9-36.1178-16989.7000112.8E187 L188 E189 S235 F237E187-H191 WeakPolarHBondContact O-CB 3.35Å; E187-H191 PolarHBondContact O-N 3.33Å; E187-H191 VanDerWaalsContact O-N 3.1Å; L188-H191 PolarHBondContact O-N 3.48Å; E189-H191 VanDerWaalsContact C-N 3.34Å; E189-H191 PolarHBondContact O-N 3.49Å; H191-S235 PolarHBondContact NE2-OG 3.47Å; H191-F237 HydrophobicContact CB-CD2 4.2Å; H191-F237 HydrophobicContact CB-CE2 4.33Å; H191-F237 AromaticContact ND1-CD2 3.82Å
192F95.5Very high94.7Very high0 Ų058.7 Ų58.70%035%0.352CS..Hα-helixtrans-96.8-6-179.5-73.1-77.2000114.4I174 V176 L188 E189 A190 G194 C195 I218 F220 L232 I242 V244I174-F192 HydrophobicContact CD1-CD1 3.88Å; I174-F192 HydrophobicContact CD1-CE1 3.7Å; I174-F192 HydrophobicContact CD1-CE2 4.48Å; I174-F192 HydrophobicContact CD1-CG 4.35Å; I174-F192 HydrophobicContact CD1-CZ 4.02Å; V176-F192 HydrophobicContact CG1-CE2 4.22Å; V176-F192 HydrophobicContact CG1-CZ 4.24Å; V176-F192 HydrophobicContact CG2-CE2 3.82Å; V176-F192 HydrophobicContact CG2-CZ 3.86Å; L188-F192 WeakPolarHBondContact O-CD2 3.48Å; L188-F192 PolarHBondContact O-N 2.99Å; L188-F192 VanDerWaalsContact O-N 3.13Å; E189-F192 CarbonylContact O-C 3.6Å; E189-F192 PolarHBondContact O-N 3.36Å; A190-F192 VanDerWaalsContact C-N 3.34Å; A190-F192 PolarHBondContact O-N 3.19Å; F192-G194 VanDerWaalsContact C-N 3.26Å; F192-G194 PolarHBondContact O-N 3.28Å; F192-C195 VanDerWaalsContact O-CB 3.31Å; F192-C195 WeakPolarHBondContact O-CB 3.25Å; F192-C195 PolarHBondContact O-N 3.24Å; F192-I218 HydrophobicContact CB-CD1 4.41Å; F192-I218 HydrophobicContact CD2-CD1 3.23Å; F192-I218 HydrophobicContact CE2-CD1 3.63Å; F192-I218 HydrophobicContact CG-CD1 3.94Å; F192-F220 HydrophobicContact CB-CE1 4.18Å; F192-F220 HydrophobicContact CB-CZ 4.11Å; F192-F220 HydrophobicContact CD1-CZ 4.32Å; F192-F220 HydrophobicContact CG-CZ 4.46Å; F192-L232 HydrophobicContact CD1-CD1 4.19Å; F192-L232 HydrophobicContact CE1-CB 4.35Å; F192-L232 HydrophobicContact CE1-CD1 4.32Å; F192-I242 HydrophobicContact CE2-CD1 4.06Å; F192-I242 HydrophobicContact CZ-CD1 3.72Å; F192-V244 HydrophobicContact CE1-CG1 4.34Å; F192-V244 HydrophobicContact CE1-CG2 3.95Å; F192-V244 HydrophobicContact CZ-CG2 3.72Å
193H93.9Very high94.8Very high122 Ų12259.3 Ų59.357%0.56535%0.345SS*.Hα-helixtrans-55.2-39.7-178.9-170.584000112.8E189 C195 G196E189-H193 WeakPolarHBondContact O-CB 3.21Å; E189-H193 PolarHBondContact O-N 2.87Å; H193-C195 PolarHBondContact O-N 3.34Å; H193-C195 VanDerWaalsContact O-N 3.13Å; H193-G196 PolarHBondContact O-N 2.76Å; H193-G196 VanDerWaalsContact O-N 3.16Å
194G92.5Very high94.7Very high80 Ų8061.2 Ų61.283%0.82535%0.353SS*.THydrogen-bonded Turntrans-66.4-9176.400000115.2F192F192-G194 VanDerWaalsContact C-N 3.26Å; F192-G194 PolarHBondContact O-N 3.28Å
195C93.2Very high94.6Very high19 Ų1961.6 Ų61.613%0.12836%0.357CS..THydrogen-bonded Turntrans-95-17.9175.1-63.20000113.4F192 H193 S225 T228 S229 L232F192-C195 VanDerWaalsContact O-CB 3.31Å; F192-C195 WeakPolarHBondContact O-CB 3.25Å; F192-C195 PolarHBondContact O-N 3.24Å; H193-C195 PolarHBondContact O-N 3.34Å; H193-C195 VanDerWaalsContact O-N 3.13Å; C195-S225 WeakPolarHBondContact O-CA 3.5Å; C195-S225 WeakPolarHBondContact O-CB 3.42Å; C195-S225 PolarHBondContact O-OG 2.67Å; C195-T228 WeakPolarHBondContact CB-OG1 3.49Å; C195-T228 PolarHBondContact O-OG1 3.43Å; C195-S229 VanDerWaalsContact SG-CA 3.59Å; C195-L232 WeakPolarHBondContact SG-CD1 3.46Å
196G94.3Very high94.6Very high22 Ų2261.4 Ų61.423%0.22735%0.35CS..SBendtrans146.1170.5-179.200000113.2H193 V198H193-G196 PolarHBondContact O-N 2.76Å; H193-G196 VanDerWaalsContact O-N 3.16Å; G196-V198 PolarHBondContact O-N 2.94Å
197S95.7Very high94.3Very high75 Ų7562.8 Ų62.852%0.52435%0.354SS..  trans-69.4129.4-175.5-520000111.9F220 S221S197-F220 CarbonylContact O-C 3.53Å; S197-F220 WeakPolarHBondContact O-CA 3.34Å; S197-S221 PolarHBondContact O-N 2.82Å; S197-S221 PolarHBondContact O-OG 2.76Å
198V95.9Very high94.1Very high24 Ų2468.8 Ų68.815%0.14538%0.379CS..EExtended strand (participates in β ladder)trans-91.1124.3-179.2175.40000109.5E189 G196 V201 I218 F220E189-V198 HydrophobicContact CG-CB 4.1Å; E189-V198 HydrophobicContact CG-CG1 4.37Å; E189-V198 HydrophobicContact CG-CG2 4.28Å; G196-V198 PolarHBondContact O-N 2.94Å; V198-V201 HydrophobicContact CG1-CG2 3.8Å; V198-I218 HydrophobicContact CB-CG2 4.46Å; V198-I218 HydrophobicContact CG1-CG2 3.71Å; V198-I218 HydrophobicContact CG2-CG2 3.93Å; V198-F220 HydrophobicContact CG2-CD1 3.95Å; V198-F220 HydrophobicContact CG2-CE1 3.79Å
199N94.6Very high93.9Very high86 Ų8671.8 Ų71.846%0.4640%0.4SS..EExtended strand (participates in β ladder)trans-80.9-39.3172.6-73.9-10.3000111.7E219 F220N199-E219 HydrophobicContact CB-CB 4.49Å; N199-E219 HydrophobicContact CB-CG 4.25Å; N199-E219 PolarHBondContact N-O 3Å; N199-F220 PolarHBondContact ND2-O 2.9Å
200R94.2Very high93.7Very high142 Ų14270.1 Ų70.154%0.53641%0.406SS..EExtended strand (participates in β ladder)trans-160.3131-172.1-173.5179179.3159.77113.1T202 I218 E219R200-T202 PolarHBondContact NE-OG1 2.8Å; R200-I218 WeakPolarHBondContact O-CA 3.47Å; R200-E219 HydrophobicContact CB-CB 4.17Å; R200-E219 PolarHBondContact N-O 3.06Å; R200-E219 PolarHBondContact O-N 3.44Å
201V95.9Very high93.4Very high29 Ų2973 Ų7318%0.17641%0.407CS..EExtended strand (participates in β ladder)trans-102.2135.7166.4-1760000109.9A185 L188 E189 V198 I203 I218A185-V201 HydrophobicContact CB-CB 4.15Å; A185-V201 HydrophobicContact CB-CG1 4.08Å; L188-V201 HydrophobicContact CB-CG1 4.28Å; L188-V201 HydrophobicContact CD1-CG1 4.05Å; E189-V201 HydrophobicContact CB-CG2 4.23Å; V198-V201 HydrophobicContact CG1-CG2 3.8Å; V201-I203 HydrophobicContact CG1-CG1 4.31Å; V201-I218 HydrophobicContact CG1-CG1 4.37Å; V201-I218 HydrophobicContact CG2-CG1 4.41Å; V201-I218 HydrophobicContact CG2-CG2 4.49Å
202T94.8Very high93.3Very high51 Ų5172.3 Ų72.331%0.31341%0.407SS..EExtended strand (participates in β ladder)trans-134.399.4177.4-56.30000110.3R200 L204 A216 Y217R200-T202 PolarHBondContact NE-OG1 2.8Å; T202-L204 HydrophobicContact CG2-CD1 3.99Å; T202-A216 CarbonylContact O-C 3.51Å; T202-A216 WeakPolarHBondContact O-CA 3.36Å; T202-Y217 PolarHBondContact N-O 3.22Å; T202-Y217 PolarHBondContact O-N 2.86Å
203I94.9Very high93.2Very high53 Ų5376.7 Ų76.727%0.27243%0.426SS..EExtended strand (participates in β ladder)trans-81.8129.6174.8-57.5176.1000108.8L188 V201 P212 A216L188-I203 HydrophobicContact CD1-CD1 4Å; L188-I203 HydrophobicContact CD1-CG1 3.92Å; V201-I203 HydrophobicContact CG1-CG1 4.31Å; I203-P212 HydrophobicContact CG2-CB 4.44Å; I203-A216 HydrophobicContact CG1-CB 4.15Å
204L93.1Very high93.2Very high55 Ų5571.2 Ų71.229%0.28840%0.403SS..EExtended strand (participates in β ladder)trans-95.3112-179.6-88.981.6000111.8T202 K213 F215 Y217T202-L204 HydrophobicContact CG2-CD1 3.99Å; L204-K213 WeakPolarHBondContact O-CB 3.33Å; L204-K213 WeakPolarHBondContact O-CG 3.39Å; L204-K213 PolarHBondContact O-N 2.85Å; L204-F215 HydrophobicContact CB-CD2 3.98Å; L204-F215 HydrophobicContact CB-CE2 3.57Å; L204-F215 HydrophobicContact CB-CZ 4.08Å; L204-F215 HydrophobicContact CD1-CE2 4.45Å; L204-F215 HydrophobicContact CD2-CE2 3.74Å; L204-F215 HydrophobicContact CD2-CZ 4.33Å; L204-F215 HydrophobicContact CG-CE2 4.08Å; L204-F215 PolarHBondContact N-O 2.98Å; L204-F215 VanDerWaalsContact N-O 3.11Å; L204-Y217 HydrophobicContact CD1-CD2 3.46Å; L204-Y217 VanDerWaalsContact CD1-CD2 3.46Å; L204-Y217 HydrophobicContact CD1-CE2 3.57Å; L204-Y217 HydrophobicContact CD2-CE2 4.14Å
205C93.2Very high93.4Very high63 Ų6369.7 Ų69.743%0.42637%0.374SS..EExtended strand (participates in β ladder)trans-90.2158.4169.4-58.90000112.2H211C205-H211 CarbonylContact C-O 3.5Å; C205-H211 WeakPolarHBondContact CA-O 3.3Å
206D92.8Very high93.5Very high41 Ų4168.8 Ų68.822%0.21937%0.368CS..  trans-75.4136.2170.4177.853.4000111.9F208 S209 G210 H211 K213D206-F208 VanDerWaalsContact C-N 3.27Å; D206-F208 PolarHBondContact O-N 2.88Å; D206-F208 PolarHBondContact OD2-N 2.88Å; D206-S209 WeakPolarHBondContact CB-OG 3.35Å; D206-S209 PolarHBondContact OD2-N 2.85Å; D206-S209 PolarHBondContact OD2-OG 3.4Å; D206-G210 WeakPolarHBondContact O-CA 3.48Å; D206-G210 PolarHBondContact O-N 3.41Å; D206-H211 PolarHBondContact N-O 3.01Å; D206-K213 HydrophobicContact CB-CG 4.22Å; D206-K213 IonicContact OD1-NZ 3.13Å
207K90.6Very high93.6Very high184 Ų18470.8 Ų70.880%0.837%0.369SS*.THydrogen-bonded Turntrans-75.2-16.5-170.9-66.6-176.6-69.9-176.40113.4
208F90Very high93.6Very high191 Ų19167.2 Ų67.284%0.83834%0.344SS*.THydrogen-bonded Turntrans-102.7-42.4-178.5-56.6-74.2000112D206D206-F208 VanDerWaalsContact C-N 3.27Å; D206-F208 PolarHBondContact O-N 2.88Å; D206-F208 PolarHBondContact OD2-N 2.88Å
209S91.9Very high93.6Very high63 Ų6367.7 Ų67.744%0.44134%0.344SS..THydrogen-bonded Turntrans-94.2-16-178.960.20000114.3D206 H211D206-S209 WeakPolarHBondContact CB-OG 3.35Å; D206-S209 PolarHBondContact OD2-N 2.85Å; D206-S209 PolarHBondContact OD2-OG 3.4Å; S209-H211 PolarHBondContact O-N 2.87Å; S209-H211 VanDerWaalsContact O-N 3.1Å; S209-H211 PolarHBondContact O-ND1 3.12Å; S209-H211 PolarHBondContact OG-N 3.18Å
210G90.5Very high93.7Very high51 Ų5163.6 Ų63.653%0.52632%0.323SS..  trans69.8-6-171.600000114.5D206D206-G210 WeakPolarHBondContact O-CA 3.48Å; D206-G210 PolarHBondContact O-N 3.41Å
211H89.7Confident93.8Very high130 Ų13058 Ų5860%0.60231%0.306SS*.  trans-74.2139.3-175.9-70.653.5000110.5C205 D206 S209C205-H211 CarbonylContact C-O 3.5Å; C205-H211 WeakPolarHBondContact CA-O 3.3Å; D206-H211 PolarHBondContact N-O 3.01Å; S209-H211 PolarHBondContact O-N 2.87Å; S209-H211 VanDerWaalsContact O-N 3.1Å; S209-H211 PolarHBondContact O-ND1 3.12Å; S209-H211 PolarHBondContact OG-N 3.18Å
212P92Very high93.7Very high37 Ų3760.9 Ų60.924%0.2432%0.32CS..EExtended strand (participates in β ladder)trans-60.3140174.619.7-26000110.6Y181 I203 G214Y181-P212 HydrophobicContact CD1-CG 4.24Å; Y181-P212 WeakPolarHBondContact CD1-O 3.38Å; Y181-P212 WeakPolarHBondContact CE1-O 3.38Å; Y181-P212 WeakPolarHBondContact O-CG 3.36Å; I203-P212 HydrophobicContact CG2-CB 4.44Å; P212-G214 VanDerWaalsContact C-N 3.25Å; P212-G214 PolarHBondContact O-N 2.97Å
213K93.1Very high93.7Very high92 Ų9263.9 Ų63.940%0.433%0.328SS..EExtended strand (participates in β ladder)trans-83.62.5-177.3-61.9-171.7176.9-1620114.1L204 D206 F215L204-K213 WeakPolarHBondContact O-CB 3.33Å; L204-K213 WeakPolarHBondContact O-CG 3.39Å; L204-K213 PolarHBondContact O-N 2.85Å; D206-K213 HydrophobicContact CB-CG 4.22Å; D206-K213 IonicContact OD1-NZ 3.13Å; K213-F215 HydrophobicContact CB-CD1 3.55Å; K213-F215 HydrophobicContact CB-CE1 3.28Å; K213-F215 HydrophobicContact CB-CZ 4.08Å; K213-F215 HydrophobicContact CD-CE1 3.62Å; K213-F215 HydrophobicContact CD-CZ 3.74Å; K213-F215 HydrophobicContact CG-CE1 4.09Å
214G94.5Very high93.7Very high8 Ų867.5 Ų67.58%0.08234%0.344CS..EExtended strand (participates in β ladder)trans72.926.8-173.700000113.8N178 V179 P212N178-G214 PolarHBondContact N-O 3.23Å; V179-G214 PolarHBondContact N-O 2.88Å; V179-G214 VanDerWaalsContact O-CA 3.28Å; V179-G214 WeakPolarHBondContact O-CA 3.17Å; P212-G214 VanDerWaalsContact C-N 3.25Å; P212-G214 PolarHBondContact O-N 2.97Å
215F95.4Very high93.8Very high47 Ų4765.3 Ų65.321%0.20633%0.333CS..EExtended strand (participates in β ladder)trans-148.2151.9171.565.1-95.5000113.3Y175 V176 L204 K213Y175-F215 HydrophobicContact CE2-CB 3.68Å; Y175-F215 AromaticContact CE2-CD2 3.86Å; Y175-F215 HydrophobicContact CE2-CD2 3.86Å; Y175-F215 AromaticContact CE2-CG 3.94Å; Y175-F215 HydrophobicContact CE2-CG 3.94Å; V176-F215 CarbonylContact O-C 3.58Å; V176-F215 WeakPolarHBondContact O-CA 3.45Å; V176-F215 WeakPolarHBondContact O-CB 3.49Å; L204-F215 HydrophobicContact CB-CD2 3.98Å; L204-F215 HydrophobicContact CB-CE2 3.57Å; L204-F215 HydrophobicContact CB-CZ 4.08Å; L204-F215 HydrophobicContact CD1-CE2 4.45Å; L204-F215 HydrophobicContact CD2-CE2 3.74Å; L204-F215 HydrophobicContact CD2-CZ 4.33Å; L204-F215 HydrophobicContact CG-CE2 4.08Å; L204-F215 PolarHBondContact N-O 2.98Å; L204-F215 VanDerWaalsContact N-O 3.11Å; K213-F215 HydrophobicContact CB-CD1 3.55Å; K213-F215 HydrophobicContact CB-CE1 3.28Å; K213-F215 HydrophobicContact CB-CZ 4.08Å; K213-F215 HydrophobicContact CD-CE1 3.62Å; K213-F215 HydrophobicContact CD-CZ 3.74Å; K213-F215 HydrophobicContact CG-CE1 4.09Å
216A96.1Very high93.9Very high0 Ų062.9 Ų62.90%032%0.317CS..EExtended strand (participates in β ladder)trans-137.9161.9-17900000111.2V176 L188 T202 I203V176-A216 PolarHBondContact N-O 2.76Å; V176-A216 PolarHBondContact O-N 2.79Å; L188-A216 HydrophobicContact CD1-CB 3.78Å; T202-A216 CarbonylContact O-C 3.51Å; T202-A216 WeakPolarHBondContact O-CA 3.36Å; I203-A216 HydrophobicContact CG1-CB 4.15Å
217Y96.4Very high94Very high65 Ų6569.6 Ų69.626%0.25534%0.339SS..EExtended strand (participates in β ladder)trans-113.9141.8162.8-59.9-70.4000109.4I174 Y175 T202 L204 K247I174-Y217 VanDerWaalsContact O-CA 3.3Å; I174-Y217 WeakPolarHBondContact O-CA 3.32Å; Y175-Y217 HydrophobicContact CD2-CD1 4.28Å; Y175-Y217 AromaticContact CD2-CE1 3.65Å; Y175-Y217 HydrophobicContact CD2-CE1 3.65Å; Y175-Y217 HydrophobicContact CG-CE1 4.3Å; T202-Y217 PolarHBondContact N-O 3.22Å; T202-Y217 PolarHBondContact O-N 2.86Å; L204-Y217 HydrophobicContact CD1-CD2 3.46Å; L204-Y217 VanDerWaalsContact CD1-CD2 3.46Å; L204-Y217 HydrophobicContact CD1-CE2 3.57Å; L204-Y217 HydrophobicContact CD2-CE2 4.14Å; Y217-K247 HydrophobicContact CD1-CD 3.89Å; Y217-K247 HydrophobicContact CD1-CG 3.86Å; Y217-K247 HydrophobicContact CE1-CD 4.37Å; Y217-K247 HydrophobicContact CE1-CG 3.96Å; Y217-K247 HydrophobicContact CG-CD 4.38Å
218I96.3Very high94.2Very high0 Ų064 Ų640%032%0.32CS..EExtended strand (participates in β ladder)trans-125.7127.1174.8-57177.5000106.7S173 I174 V176 L188 F192 V198 R200 V201 F220S173-I218 CarbonylContact C-O 3.57Å; S173-I218 WeakPolarHBondContact CA-O 3.47Å; S173-I218 WeakPolarHBondContact CB-O 3.46Å; I174-I218 HydrophobicContact CD1-CB 4.18Å; I174-I218 HydrophobicContact CD1-CD1 4.35Å; I174-I218 HydrophobicContact CG1-CB 3.81Å; I174-I218 PolarHBondContact N-O 3.1Å; I174-I218 PolarHBondContact O-N 2.69Å; I174-I218 VanDerWaalsContact O-N 3.12Å; V176-I218 HydrophobicContact CG2-CD1 3.88Å; V176-I218 HydrophobicContact CG2-CG1 4.25Å; L188-I218 HydrophobicContact CB-CD1 4.23Å; F192-I218 HydrophobicContact CB-CD1 4.41Å; F192-I218 HydrophobicContact CD2-CD1 3.23Å; F192-I218 HydrophobicContact CE2-CD1 3.63Å; F192-I218 HydrophobicContact CG-CD1 3.94Å; V198-I218 HydrophobicContact CB-CG2 4.46Å; V198-I218 HydrophobicContact CG1-CG2 3.71Å; V198-I218 HydrophobicContact CG2-CG2 3.93Å; R200-I218 WeakPolarHBondContact O-CA 3.47Å; V201-I218 HydrophobicContact CG1-CG1 4.37Å; V201-I218 HydrophobicContact CG2-CG1 4.41Å; V201-I218 HydrophobicContact CG2-CG2 4.49Å; I218-F220 HydrophobicContact CG2-CE1 4.26Å; I218-F220 HydrophobicContact CG2-CZ 4.17Å
219E96.2Very high94.4Very high33 Ų3354.9 Ų54.915%0.15428%0.281CS..EExtended strand (participates in β ladder)trans-102.9126.3175.3-175.5-176162.400108.8A169 R172 N199 R200A169-E219 WeakPolarHBondContact CB-OE1 3.47Å; R172-E219 IonicContact NH2-OE1 3.93Å; N199-E219 HydrophobicContact CB-CB 4.49Å; N199-E219 HydrophobicContact CB-CG 4.25Å; N199-E219 PolarHBondContact N-O 3Å; R200-E219 HydrophobicContact CB-CB 4.17Å; R200-E219 PolarHBondContact N-O 3.06Å; R200-E219 PolarHBondContact O-N 3.44Å
220F96.8Very high94.6Very high0 Ų055.1 Ų55.10%028%0.276CS..EExtended strand (participates in β ladder)trans-96.5161.4176.1-63.9-75.4000112.5R172 I174 F192 S197 V198 N199 I218 D222 S225 V226R172-F220 WeakPolarHBondContact CB-O 3.49Å; R172-F220 PolarHBondContact O-N 2.84Å; I174-F220 HydrophobicContact CD1-CE2 3.69Å; I174-F220 HydrophobicContact CD1-CZ 3.86Å; I174-F220 HydrophobicContact CG1-CE2 3.76Å; I174-F220 HydrophobicContact CG1-CZ 4.36Å; I174-F220 HydrophobicContact CG2-CE2 4.07Å; F192-F220 HydrophobicContact CB-CE1 4.18Å; F192-F220 HydrophobicContact CB-CZ 4.11Å; F192-F220 HydrophobicContact CD1-CZ 4.32Å; F192-F220 HydrophobicContact CG-CZ 4.46Å; S197-F220 CarbonylContact O-C 3.53Å; S197-F220 WeakPolarHBondContact O-CA 3.34Å; V198-F220 HydrophobicContact CG2-CD1 3.95Å; V198-F220 HydrophobicContact CG2-CE1 3.79Å; N199-F220 PolarHBondContact ND2-O 2.9Å; I218-F220 HydrophobicContact CG2-CE1 4.26Å; I218-F220 HydrophobicContact CG2-CZ 4.17Å; F220-D222 VanDerWaalsContact C-N 3.29Å; F220-S225 VanDerWaalsContact CG-CB 3.45Å; F220-V226 HydrophobicContact CD2-CG2 4.13Å
221S95.1Very high94.8Very high26 Ų2656.8 Ų56.818%0.18229%0.285CS..SBendtrans-58.8-40.6165.6550000112R172 S197R172-S221 WeakPolarHBondContact CD-O 3.11Å; R172-S221 PolarHBondContact NH1-O 3.17Å; S197-S221 PolarHBondContact O-N 2.82Å; S197-S221 PolarHBondContact O-OG 2.76Å
222D94.5Very high94.9Very high89 Ų8953.1 Ų53.148%0.47627%0.27SS..  trans-119.2149.5-168.2-63.2-64.6000113.7F220 E224F220-D222 VanDerWaalsContact C-N 3.29Å; D222-E224 PolarHBondContact O-N 2.79Å
223K93.7Very high95.1Very high113 Ų11354.1 Ų54.149%0.49127%0.273SS..THydrogen-bonded Turntrans-70.7-19.5173.7-67.5173.2-177.91660111.5E168 R172E168-K223 IonicContact OE1-NZ 3.56Å; E168-K223 PolarHBondContact OE1-NZ 3.34Å; E168-K223 VanDerWaalsContact OE1-NZ 3.13Å; R172-K223 HydrophobicContact CG-CB 4.4Å; R172-K223 HydrophobicContact CG-CG 3.48Å; R172-K223 VanDerWaalsContact CG-CG 3.48Å
224E94.6Very high95.1Very high130 Ų13056 Ų5661%0.60728%0.283SS*.THydrogen-bonded Turntrans-80.3-32.2179.5-52.8-145.7130.200112.5D222 V226 R227 T228D222-E224 PolarHBondContact O-N 2.79Å; E224-V226 PolarHBondContact O-N 3.27Å; E224-R227 WeakPolarHBondContact O-CA 3.24Å; E224-R227 WeakPolarHBondContact O-CB 3.26Å; E224-R227 PolarHBondContact O-N 3.06Å; E224-R227 IonicContact OE1-NH1 3.03Å; E224-T228 PolarHBondContact O-N 3Å
225S95.1Very high95.1Very high8 Ų856.8 Ų56.86%0.05629%0.288CS..Hα-helixtrans-60.1-26.3174.7-50.20000113.3C195 F220 R227 T228 S229C195-S225 WeakPolarHBondContact O-CA 3.5Å; C195-S225 WeakPolarHBondContact O-CB 3.42Å; C195-S225 PolarHBondContact O-OG 2.67Å; F220-S225 VanDerWaalsContact CG-CB 3.45Å; S225-R227 VanDerWaalsContact C-N 3.3Å; S225-R227 PolarHBondContact O-N 2.94Å; S225-T228 VanDerWaalsContact CA-OG1 3.32Å; S225-T228 WeakPolarHBondContact CA-OG1 3.29Å; S225-T228 PolarHBondContact O-OG1 2.89Å; S225-T228 VanDerWaalsContact O-OG1 3.06Å; S225-S229 VanDerWaalsContact O-CB 3.29Å; S225-S229 WeakPolarHBondContact O-CB 3.42Å; S225-S229 PolarHBondContact O-N 3.48Å; S225-S229 PolarHBondContact O-OG 2.8Å
226V95.6Very high95.1Very high13 Ų1360.4 Ų60.48%0.07931%0.309CS..Hα-helixtrans-65.9-32.1170.9178.30000111.6R172 I174 F220 E224 S229 L230 P246R172-V226 WeakPolarHBondContact O-CG2 3.17Å; I174-V226 HydrophobicContact CG2-CB 4.45Å; I174-V226 HydrophobicContact CG2-CG1 3.99Å; I174-V226 HydrophobicContact CG2-CG2 4.42Å; F220-V226 HydrophobicContact CD2-CG2 4.13Å; E224-V226 PolarHBondContact O-N 3.27Å; V226-S229 WeakPolarHBondContact CA-OG 3.19Å; V226-S229 PolarHBondContact O-OG 2.96Å; V226-L230 WeakPolarHBondContact O-CD1 3.19Å; V226-L230 VanDerWaalsContact O-CG 3.29Å; V226-L230 WeakPolarHBondContact O-CG 3.33Å; V226-P246 HydrophobicContact CG1-CB 4.11Å
227R95.2Very high95Very high181 Ų18161 Ų6168%0.68331%0.311SS*.Hα-helixtrans-77.9-43.8178-61.6179179.1150.7-2.5111.5E224 S225 L230E224-R227 WeakPolarHBondContact O-CA 3.24Å; E224-R227 WeakPolarHBondContact O-CB 3.26Å; E224-R227 PolarHBondContact O-N 3.06Å; E224-R227 IonicContact OE1-NH1 3.03Å; S225-R227 VanDerWaalsContact C-N 3.3Å; S225-R227 PolarHBondContact O-N 2.94Å; R227-L230 PolarHBondContact O-N 3.27Å
228T95.3Very high94.8Very high67 Ų6763.6 Ų63.641%0.41132%0.32SS..Hα-helixtrans-65.5-41.2178.153.20000111.5C195 E224 S225 L230 A231C195-T228 WeakPolarHBondContact CB-OG1 3.49Å; C195-T228 PolarHBondContact O-OG1 3.43Å; E224-T228 PolarHBondContact O-N 3Å; S225-T228 VanDerWaalsContact CA-OG1 3.32Å; S225-T228 WeakPolarHBondContact CA-OG1 3.29Å; S225-T228 PolarHBondContact O-OG1 2.89Å; S225-T228 VanDerWaalsContact O-OG1 3.06Å; T228-L230 PolarHBondContact O-N 3.11Å; T228-A231 VanDerWaalsContact O-CB 3.26Å; T228-A231 WeakPolarHBondContact O-CB 3.28Å; T228-A231 PolarHBondContact O-N 3.47Å
229S94.7Very high94.6Very high0 Ų067 Ų670%036%0.355CS..Hα-helixtrans-64.3-21.7176.753.40000114.6C195 S225 V226 A231 L232C195-S229 VanDerWaalsContact SG-CA 3.59Å; S225-S229 VanDerWaalsContact O-CB 3.29Å; S225-S229 WeakPolarHBondContact O-CB 3.42Å; S225-S229 PolarHBondContact O-N 3.48Å; S225-S229 PolarHBondContact O-OG 2.8Å; V226-S229 WeakPolarHBondContact CA-OG 3.19Å; V226-S229 PolarHBondContact O-OG 2.96Å; S229-A231 VanDerWaalsContact C-N 3.25Å; S229-A231 PolarHBondContact O-N 2.81Å; S229-L232 WeakPolarHBondContact O-CB 3.22Å; S229-L232 PolarHBondContact O-N 3.1Å; S229-L232 VanDerWaalsContact O-N 3.1Å
230L95.2Very high94.6Very high67 Ų6768.4 Ų68.435%0.35136%0.359SS..G310 helixtrans-71.6-18.1171.4-67.9166.3000113.2V226 R227 T228 L232 D233 V244V226-L230 WeakPolarHBondContact O-CD1 3.19Å; V226-L230 VanDerWaalsContact O-CG 3.29Å; V226-L230 WeakPolarHBondContact O-CG 3.33Å; R227-L230 PolarHBondContact O-N 3.27Å; T228-L230 PolarHBondContact O-N 3.11Å; L230-L232 PolarHBondContact O-N 3.26Å; L230-D233 WeakPolarHBondContact O-CB 3.31Å; L230-D233 PolarHBondContact O-N 2.78Å; L230-V244 HydrophobicContact CD2-CG1 4.14Å; L230-V244 WeakPolarHBondContact CD2-O 3.33Å
231A94.2Very high94.6Very high87 Ų8774 Ų7472%0.71939%0.386SS*.G310 helixtrans-72.6-14168.800000112.6T228 S229T228-A231 VanDerWaalsContact O-CB 3.26Å; T228-A231 WeakPolarHBondContact O-CB 3.28Å; T228-A231 PolarHBondContact O-N 3.47Å; S229-A231 VanDerWaalsContact C-N 3.25Å; S229-A231 PolarHBondContact O-N 2.81Å
232L93.3Very high94.6Very high52 Ų5273 Ų7327%0.27238%0.378SS..G310 helixtrans-95.312.6171.3-59.7-175.3000113.2F192 C195 S229 L230 S235F192-L232 HydrophobicContact CD1-CD1 4.19Å; F192-L232 HydrophobicContact CE1-CB 4.35Å; F192-L232 HydrophobicContact CE1-CD1 4.32Å; C195-L232 WeakPolarHBondContact SG-CD1 3.46Å; S229-L232 WeakPolarHBondContact O-CB 3.22Å; S229-L232 PolarHBondContact O-N 3.1Å; S229-L232 VanDerWaalsContact O-N 3.1Å; L230-L232 PolarHBondContact O-N 3.26Å; L232-S235 VanDerWaalsContact O-CB 3.24Å; L232-S235 WeakPolarHBondContact O-CB 3.45Å; L232-S235 PolarHBondContact O-N 3.23Å; L232-S235 PolarHBondContact O-OG 3.38Å
233D94.8Very high94.8Very high58 Ų5873.9 Ų73.931%0.3138%0.378SS..THydrogen-bonded Turntrans-59.7143.9168-161.919.2000110L230 S235 K243 V244L230-D233 WeakPolarHBondContact O-CB 3.31Å; L230-D233 PolarHBondContact O-N 2.78Å; D233-S235 PolarHBondContact O-N 3.16Å; D233-K243 VanDerWaalsContact OD1-CA 3.27Å; D233-K243 WeakPolarHBondContact OD1-CA 3.42Å; D233-V244 HydrophobicContact CB-CB 4.28Å; D233-V244 PolarHBondContact OD1-N 3.37Å
234E94.5Very high94.9Very high131 Ų13168.6 Ų68.661%0.61236%0.355SS*.THydrogen-bonded Turntrans60.87.5-174.7-49.6-168.3157.800116.2Q241 I242E234-Q241 WeakPolarHBondContact O-CG 3.37Å; E234-I242 WeakPolarHBondContact CA-O 3.36Å; E234-I242 PolarHBondContact N-O 3.01Å
235S94.8Very high95Very high25 Ų2565.4 Ų65.418%0.17534%0.341CS..  trans-62.6152.7175.462.50000113.3H191 L232 D233 Q241 I242H191-S235 PolarHBondContact NE2-OG 3.47Å; L232-S235 VanDerWaalsContact O-CB 3.24Å; L232-S235 WeakPolarHBondContact O-CB 3.45Å; L232-S235 PolarHBondContact O-N 3.23Å; L232-S235 PolarHBondContact O-OG 3.38Å; D233-S235 PolarHBondContact O-N 3.16Å; S235-Q241 WeakPolarHBondContact O-CA 3.11Å; S235-I242 WeakPolarHBondContact O-CG1 3.42Å; S235-I242 PolarHBondContact O-N 3.04Å
236L94.5Very high95Very high124 Ų12468.1 Ų68.165%0.64936%0.359SS*.EExtended strand (participates in β ladder)trans-83.7118.7-179-69.3174.5000111.6Q241L236-Q241 HydrophobicContact CD2-CG 3.74Å
237F93.9Very high95Very high12 Ų1270 Ų705%0.05337%0.366CS..EExtended strand (participates in β ladder)trans-127121.1174.4179.3-93.4000109.4V179 A183 E187 L188 H191 G239 R240 I242V179-F237 HydrophobicContact CG1-CE1 4.23Å; A183-F237 HydrophobicContact CB-CE1 3.67Å; A183-F237 HydrophobicContact CB-CZ 4.02Å; E187-F237 HydrophobicContact CB-CE2 4.02Å; E187-F237 HydrophobicContact CB-CZ 3.83Å; L188-F237 HydrophobicContact CD2-CE1 4.22Å; L188-F237 HydrophobicContact CD2-CE2 4.14Å; L188-F237 HydrophobicContact CD2-CZ 3.89Å; L188-F237 HydrophobicContact CG-CZ 4.29Å; H191-F237 HydrophobicContact CB-CD2 4.2Å; H191-F237 HydrophobicContact CB-CE2 4.33Å; H191-F237 AromaticContact ND1-CD2 3.82Å; F237-G239 PolarHBondContact O-N 2.91Å; F237-G239 VanDerWaalsContact O-N 3.11Å; F237-R240 PolarHBondContact N-O 2.83Å; F237-R240 PolarHBondContact O-N 3.23Å; F237-R240 VanDerWaalsContact O-O 3.08Å; F237-I242 HydrophobicContact CB-CD1 4.45Å; F237-I242 HydrophobicContact CB-CG1 4.47Å; F237-I242 HydrophobicContact CB-CG2 3.71Å; F237-I242 HydrophobicContact CD1-CG2 4.34Å; F237-I242 HydrophobicContact CG-CG2 4.29Å
238R92.9Very high94.7Very high119 Ų11971.7 Ų71.745%0.44937%0.372SS..THydrogen-bonded Turntrans48.936.3-175.2-62.3170.967.7106.43.6113.6D180 G182 E187 R240D180-R238 HydrophobicContact CB-CB 4.12Å; D180-R238 IonicContact OD2-CZ 3.95Å; D180-R238 IonicContact OD2-NE 3.71Å; D180-R238 PolarHBondContact OD2-NE 3.49Å; D180-R238 IonicContact OD2-NH2 2.95Å; G182-R238 PolarHBondContact O-NH1 3.21Å; E187-R238 IonicContact OE1-NH1 3.81Å; E187-R238 PolarHBondContact OE1-NH1 3.41Å; E187-R238 WeakPolarHBondContact OE2-CD 3.49Å; E187-R238 IonicContact OE2-CZ 3.64Å; E187-R238 IonicContact OE2-NE 2.66Å; E187-R238 IonicContact OE2-NH1 3.6Å; E187-R238 PolarHBondContact OE2-NH1 2.98Å; R238-R240 VanDerWaalsContact C-N 3.34Å
239G92.7Very high94.2Very high71 Ų7170.9 Ų70.973%0.73237%0.367SS*.THydrogen-bonded Turntrans77.810.2-178.800000115.5F237F237-G239 PolarHBondContact O-N 2.91Å; F237-G239 VanDerWaalsContact O-N 3.11Å
240R94.6Very high93.3Very high63 Ų6377.2 Ų77.224%0.23840%0.401CS..EExtended strand (participates in β ladder)trans-121.3141.1177.6-63170.563.3166.20.1109.7N178 D180 F237 R238 I242N178-R240 PolarHBondContact OD1-NH2 2.99Å; D180-R240 IonicContact OD1-CZ 2.77Å; D180-R240 IonicContact OD1-NH1 2.78Å; D180-R240 PolarHBondContact OD1-NH1 3.33Å; F237-R240 PolarHBondContact N-O 2.83Å; F237-R240 PolarHBondContact O-N 3.23Å; F237-R240 VanDerWaalsContact O-O 3.08Å; R238-R240 VanDerWaalsContact C-N 3.34Å; R240-I242 PolarHBondContact O-N 3.37Å
241Q96.3Very high92.2Very high119 Ų11981.7 Ų81.756%0.55641%0.413SS*.EExtended strand (participates in β ladder)trans-75.1118.9172.8-67.8176.1-5100109.7N178 E234 S235 L236N178-Q241 PolarHBondContact ND2-O 2.77Å; E234-Q241 WeakPolarHBondContact O-CG 3.37Å; S235-Q241 WeakPolarHBondContact O-CA 3.11Å; L236-Q241 HydrophobicContact CD2-CG 3.74Å
242I96.9Very high90.8Very high3 Ų382.7 Ų82.72%0.01541%0.412CS..  trans-83157.217554.8168.6000111V176 G177 V179 F192 E234 S235 F237 R240 V244V176-I242 HydrophobicContact CG1-CB 4.05Å; V176-I242 HydrophobicContact CG1-CD1 3.97Å; V176-I242 HydrophobicContact CG1-CG2 4.34Å; G177-I242 WeakPolarHBondContact O-CA 3.44Å; V179-I242 HydrophobicContact CG2-CG2 4.44Å; F192-I242 HydrophobicContact CE2-CD1 4.06Å; F192-I242 HydrophobicContact CZ-CD1 3.72Å; E234-I242 WeakPolarHBondContact CA-O 3.36Å; E234-I242 PolarHBondContact N-O 3.01Å; S235-I242 WeakPolarHBondContact O-CG1 3.42Å; S235-I242 PolarHBondContact O-N 3.04Å; F237-I242 HydrophobicContact CB-CD1 4.45Å; F237-I242 HydrophobicContact CB-CG1 4.47Å; F237-I242 HydrophobicContact CB-CG2 3.71Å; F237-I242 HydrophobicContact CD1-CG2 4.34Å; F237-I242 HydrophobicContact CG-CG2 4.29Å; R240-I242 PolarHBondContact O-N 3.37Å; I242-V244 HydrophobicContact CD1-CG2 4.21Å
243K96.9Very high89.4Confident109 Ų10983.6 Ų83.647%0.47444%0.435SS..EExtended strand (participates in β ladder)trans-114.7119.9175.3-172.2168.6-164.9164.60111.4V176 G177 D233 I245V176-K243 CarbonylContact C-O 3.57Å; V176-K243 WeakPolarHBondContact CA-O 3.39Å; G177-K243 PolarHBondContact N-O 3.22Å; G177-K243 PolarHBondContact O-N 2.9Å; D233-K243 VanDerWaalsContact OD1-CA 3.27Å; D233-K243 WeakPolarHBondContact OD1-CA 3.42Å; K243-I245 HydrophobicContact CD-CD1 4.13Å; K243-I245 HydrophobicContact CG-CD1 4.25Å; K243-I245 HydrophobicContact CG-CG1 4.15Å
244V97Very high87.8Confident2 Ų286.9 Ų86.91%0.01245%0.451CS..EExtended strand (participates in β ladder)trans-108.7126.1-177.2-170.70000110.3I174 Y175 F192 L230 D233 I242I174-V244 HydrophobicContact CB-CG1 4.24Å; I174-V244 HydrophobicContact CD1-CG1 3.92Å; I174-V244 HydrophobicContact CG2-CG1 4.29Å; Y175-V244 WeakPolarHBondContact O-CA 3.49Å; F192-V244 HydrophobicContact CE1-CG1 4.34Å; F192-V244 HydrophobicContact CE1-CG2 3.95Å; F192-V244 HydrophobicContact CZ-CG2 3.72Å; L230-V244 HydrophobicContact CD2-CG1 4.14Å; L230-V244 WeakPolarHBondContact CD2-O 3.33Å; D233-V244 HydrophobicContact CB-CB 4.28Å; D233-V244 PolarHBondContact OD1-N 3.37Å; I242-V244 HydrophobicContact CD1-CG2 4.21Å
245I96.3Very high86.1Confident63 Ų6383.2 Ų83.232%0.32344%0.44SS..EExtended strand (participates in β ladder)trans-141.2142.2-179.2-50.8178.4000107.9Y175 K243 K247Y175-I245 HydrophobicContact CD1-CB 4.28Å; Y175-I245 HydrophobicContact CD1-CD1 4.2Å; Y175-I245 HydrophobicContact CD1-CG1 4.32Å; Y175-I245 HydrophobicContact CE1-CD1 4.47Å; Y175-I245 PolarHBondContact N-O 3.37Å; Y175-I245 PolarHBondContact O-N 3.29Å; K243-I245 HydrophobicContact CD-CD1 4.13Å; K243-I245 HydrophobicContact CG-CD1 4.25Å; K243-I245 HydrophobicContact CG-CG1 4.15Å; I245-K247 PolarHBondContact O-N 3.5Å
246P95.5Very high84.4Confident64 Ų6486.6 Ų86.642%0.41646%0.459SS..EExtended strand (participates in β ladder)trans-56.5137.7170.125.5-36.2000111V226 R248V226-P246 HydrophobicContact CG1-CB 4.11Å; P246-R248 PolarHBondContact O-N 3.27Å
247K94.7Very high82.8Confident52 Ų5286.4 Ų86.423%0.22646%0.463CS..PPolyproline II helixtrans-64.7136.5-179.5-172.7-176.5-179.9-161.10109.7D170 S173 Y217 I245D170-K247 WeakPolarHBondContact OD1-CE 3.2Å; D170-K247 IonicContact OD1-NZ 3.69Å; D170-K247 PolarHBondContact OD1-NZ 3.21Å; S173-K247 VanDerWaalsContact O-CB 3.23Å; S173-K247 WeakPolarHBondContact O-CB 3.24Å; S173-K247 PolarHBondContact O-N 2.87Å; Y217-K247 HydrophobicContact CD1-CD 3.89Å; Y217-K247 HydrophobicContact CD1-CG 3.86Å; Y217-K247 HydrophobicContact CE1-CD 4.37Å; Y217-K247 HydrophobicContact CE1-CG 3.96Å; Y217-K247 HydrophobicContact CG-CD 4.38Å; I245-K247 PolarHBondContact O-N 3.5Å
248R88.7Confident81Confident217 Ų21791.2 Ų91.282%0.81949%0.49SS*.PPolyproline II helixtrans-83.1125.8173.5-66.6-176178.5-168.6-1.2109.4P246 N250P246-R248 PolarHBondContact O-N 3.27Å; R248-N250 PolarHBondContact O-N 3.38Å
249T85.2Confident79.1Confident50 Ų5094.8 Ų94.831%0.30750%0.503SS..PPolyproline II helixtrans-68132.1171.9-174.90000111.6D170 R251D170-T249 WeakPolarHBondContact OD2-CA 3.23Å; D170-T249 WeakPolarHBondContact OD2-CB 3.34Å; D170-T249 PolarHBondContact OD2-OG1 2.89Å; T249-R251 HydrophobicContact CG2-CG 4.4Å; T249-R251 PolarHBondContact O-N 3.22Å
250N76.4Confident76.9Confident133 Ų13394.3 Ų94.371%0.71150%0.499SS*.  trans-86.686.1178.4-72.9-59.8000109.7R248 P252R248-N250 PolarHBondContact O-N 3.38Å; N250-P252 WeakPolarHBondContact O-CD 3.41Å
251R71.2Confident74.7Confident161 Ų161100.1 Ų100.161%0.60853%0.526SS*.  trans-65.4113.8171.6-67.1-174.3-178.9174.80.6109.9T249 G253 I254T249-R251 HydrophobicContact CG2-CG 4.4Å; T249-R251 PolarHBondContact O-N 3.22Å; R251-G253 PolarHBondContact O-N 2.82Å; R251-I254 HydrophobicContact CB-CD1 4.25Å; R251-I254 HydrophobicContact CB-CG1 4.45Å
252P65.6Low72.7Confident108 Ų108100.7 Ų100.770%0.70154%0.54SS*.THydrogen-bonded Turntrans-62.8137.817427.5-33.4000109.5N250N250-P252 WeakPolarHBondContact O-CD 3.41Å
253G64.1Low70.6Confident72 Ų72111.7 Ų111.774%0.74258%0.581SS**THydrogen-bonded Turntrans95.7-2.9176.700000117.1R251R251-G253 PolarHBondContact O-N 2.82Å
254I61.8Low68.3Low127 Ų127110 Ų11065%0.65159%0.587SS**  trans-112.937173.1-37-179.6000111.2R251 T256R251-I254 HydrophobicContact CB-CD1 4.25Å; R251-I254 HydrophobicContact CB-CG1 4.45Å; I254-T256 PolarHBondContact O-N 3.13Å
255S57.5Low66Low54 Ų54121.9 Ų121.938%0.37863%0.632SS.*  trans-59.8139.8173.5-173.80000110T257 D258S255-T257 PolarHBondContact O-N 3.33Å; S255-T257 VanDerWaalsContact O-N 3.15Å; S255-T257 PolarHBondContact OG-N 3.13Å; S255-T257 PolarHBondContact OG-OG1 3.1Å; S255-D258 VanDerWaalsContact CB-OD2 3.3Å; S255-D258 WeakPolarHBondContact CB-OD2 3.46Å; S255-D258 PolarHBondContact O-N 3.35Å
256T59.3Low63.7Low96 Ų96129.9 Ų129.959%0.58966%0.66SS**G310 helixtrans-65.1-18.5177.258.80000112.5I254 D258 R259I254-T256 PolarHBondContact O-N 3.13Å; T256-D258 VanDerWaalsContact C-N 3.33Å; T256-R259 WeakPolarHBondContact O-CG 3.27Å
257T61.5Low61.5Low119 Ų119137.9 Ų137.973%0.7368%0.682SS**G310 helixtrans-68.2-29171.4-36.50000112.6S255 R259S255-T257 PolarHBondContact O-N 3.33Å; S255-T257 VanDerWaalsContact O-N 3.15Å; S255-T257 PolarHBondContact OG-N 3.13Å; S255-T257 PolarHBondContact OG-OG1 3.1Å; T257-R259 VanDerWaalsContact C-N 3.33Å; T257-R259 PolarHBondContact O-N 3.21Å
258D55Low59.1Low114 Ų114139.7 Ų139.761%0.6171%0.706SS**G310 helixtrans-93.315.8-176.6-60.3-50.4000113.2S255 T256 G260S255-D258 VanDerWaalsContact CB-OD2 3.3Å; S255-D258 WeakPolarHBondContact CB-OD2 3.46Å; S255-D258 PolarHBondContact O-N 3.35Å; T256-D258 VanDerWaalsContact C-N 3.33Å; D258-G260 PolarHBondContact O-N 3.03Å
259R53.8Low57Low193 Ų193141.5 Ų141.573%0.72871%0.713SS**  trans-70.822.5168.8-63.8-179.7-174.9172.4-0.1113.5T256 T257 F261T256-R259 WeakPolarHBondContact O-CG 3.27Å; T257-R259 VanDerWaalsContact C-N 3.33Å; T257-R259 PolarHBondContact O-N 3.21Å; R259-F261 PolarHBondContact O-N 2.95Å
260G47.2Very low55.4Low62 Ų62144.9 Ų144.964%0.63973%0.734SS**  trans-7593.616500000109.7D258D258-G260 PolarHBondContact O-N 3.03Å
261F47.5Very low53.9Low185 Ų185144.7 Ų144.781%0.81174%0.738SS**  trans-38.6140160.3-80.8-101.8000110.2R259 R263R259-F261 PolarHBondContact O-N 2.95Å; F261-R263 PolarHBondContact O-N 3.1Å
262P53.7Low52.7Low131 Ų131144.5 Ų144.585%0.85175%0.749SS**  trans-64.486.7170.627.5-33.8000109.1A264P262-A264 VanDerWaalsContact C-N 3.28Å; P262-A264 PolarHBondContact O-N 3.11Å
263R52.6Low51.7Low233 Ų233149.1 Ų149.188%0.87975%0.754SS**  trans-69.289.6176.8-98.3-169.8169.6132.4-0.7108.8F261 R265F261-R263 PolarHBondContact O-N 3.1Å; R263-R265 PolarHBondContact O-N 2.92Å
264A49.2Very low50.9Low73 Ų73153 Ų15360%0.60376%0.758SS**  trans44.374.8144.600000115.5P262 Y266P262-A264 VanDerWaalsContact C-N 3.28Å; P262-A264 PolarHBondContact O-N 3.11Å; A264-Y266 VanDerWaalsContact C-N 3.31Å
265R49Very low50.1Low252 Ų252152.4 Ų152.495%0.95177%0.765SS**SBendtrans-87.1-1.1148.7-74.9-161.2-179.7-166.33.6113.6R263 R267R263-R265 PolarHBondContact O-N 2.92Å; R265-R267 PolarHBondContact O-N 3.11Å
266Y47.4Very low49.5Very low231 Ų231154 Ų15491%0.90678%0.775SS**  trans-90.285.6162.5-84.1-88.6000110.9A264A264-Y266 VanDerWaalsContact C-N 3.31Å
267R50.4Low48.8Very low232 Ų232159.8 Ų159.888%0.87579%0.787SS**  trans-138136.3153.4-89.4-141.9173.6-146.5-0.8110.2R265R265-R267 PolarHBondContact O-N 3.11Å
268A44.6Very low48.1Very low90 Ų90159 Ų15974%0.74479%0.786SS**  trans68.853.8167.300000118.2
269R43.8Very low47.6Very low255 Ų255165 Ų16596%0.96280%0.8SS**  -96.981.1127.7-92.9-165.8-175173.13.5108.2
270T50.6Low47Very low122 Ų122164.8 Ų164.875%0.74881%0.805SS**  trans-134.593.1165.754.10000107.8N272T270-N272 PolarHBondContact O-N 3.47Å
271T46.1Very low46.7Very low128 Ų128172.8 Ų172.879%0.78582%0.817SS**  trans-46.1120.5161.2-38.40000108.6Y273T271-Y273 HydrophobicContact CG2-CE2 4.47Å
272N45.5Very low46.6Very low157 Ų157170.2 Ų170.284%0.8482%0.822SS**  trans-146.5135.6149.8-148.5-5.3000110.2T270T270-N272 PolarHBondContact O-N 3.47Å
273Y44Very low46Very low206 Ų206166.6 Ų166.681%0.80881%0.809SS**  trans-74.2167.7-178.6-86-109000110.9T271T271-Y273 HydrophobicContact CG2-CE2 4.47Å
274N47.8Very low45.6Very low154 Ų154165.2 Ų165.282%0.82481%0.81SS**  trans72.288157.1-162.717.5000117.9
275S46Very low45.5Very low114 Ų114169.4 Ų169.480%0.79782%0.822SS**  trans-156.485.9132.6-167.70000111.2
276S43.4Very low45.4Very low86 Ų86161.9 Ų161.960%0.60181%0.808SS**  trans-85.2144160.5-890000109.5
277R44.7Very low45.5Very low219 Ų219162.5 Ų162.583%0.82681%0.809SS**  trans79.897.4-176-70.764.4-91.9-155.7-3.5115.6
278S47.3Very low45.3Very low102 Ų102157.1 Ų157.171%0.71380%0.803SS**  -155.3118.7102.966.60000109.8
279R45.3Very low45.2Very low240 Ų240164.8 Ų164.891%0.90681%0.813SS**  84.598.4102.5-71.2178.6-170.6161.13.5113.1
280F40.6Very low45Very low189 Ų189156 Ų15683%0.82980%0.803SS**  trans-63.7164162.2-69.9-101.2000111.3
281Y41.4Very low45Very low229 Ų229160.7 Ų160.790%0.89881%0.807SS**  trans61.281166.3-65.6-76.5000118.4
282S45.5Very low45Very low131 Ų131160.9 Ų160.992%0.91681%0.807SS**  trans-162.7139.4132.1-165.50000105.6
283G40.6Very low44.7Very low56 Ų56163.2 Ų163.258%0.57781%0.805SS**  cis156.2131.62000000103.6N285G283-N285 PolarHBondContact O-N 3.2Å
284F43.5Very low44.9Very low204 Ų204165 Ų16590%0.89581%0.811SS**  trans-58.1112.3-171.3-156-93.1000110.2
285N47.6Very low44.5Very low161 Ų161161 Ų16186%0.86181%0.806SS**  trans-139.6100.3175.3-123.9-21.3000111.7G283G283-N285 PolarHBondContact O-N 3.2Å
286S47.2Very low44.5Very low93 Ų93167.4 Ų167.465%0.6581%0.813SS**  trans-58.8128.8179-52.70000112.3
287R49.2Very low44.5Very low245 Ų245167.1 Ų167.193%0.92582%0.815SS**  trans-156.9146.3138.4-111.6152174.9175.2-2.5112.5
288P47Very low44.5Very low118 Ų118168.2 Ų168.277%0.76682%0.82SS**  trans-103.2171.4-14338.8-36.9000115.3G290P288-G290 PolarHBondContact O-N 3.47Å; P288-G290 VanDerWaalsContact O-N 3.15Å
289R42.9Very low44.6Very low251 Ų251167.9 Ų167.995%0.94782%0.823SS**  trans-39.9112171-78.5178.7166.2170.5-4.8113.3R291R289-R291 PolarHBondContact O-N 3.1Å
290G38.8Very low45Very low72 Ų72162.7 Ų162.774%0.74282%0.818SS**  trans-80.799.3162.400000111.4P288 V292P288-G290 PolarHBondContact O-N 3.47Å; P288-G290 VanDerWaalsContact O-N 3.15Å; G290-V292 PolarHBondContact O-N 2.77Å
291R49.6Very low45.6Very low220 Ų220158.7 Ų158.783%0.8381%0.813SS**  trans-74.6112.1168.5-171.6-154.6-65.8-109.39.9108.4R289 Y293R289-R291 PolarHBondContact O-N 3.1Å; R291-Y293 PolarHBondContact O-N 2.78Å; R291-Y293 VanDerWaalsContact O-N 3.15Å
292V46.3Very low46.2Very low131 Ų131159 Ų15979%0.79481%0.813SS**  trans-76.3103.6179.3-173.60000110.2G290G290-V292 PolarHBondContact O-N 2.77Å
293Y40.6Very low46.8Very low206 Ų206162.7 Ų162.781%0.80881%0.808SS**  trans-113.3108.1163.3-126.6-97.2000107.4R291 G295R291-Y293 PolarHBondContact O-N 2.78Å; R291-Y293 VanDerWaalsContact O-N 3.15Å; Y293-G295 PolarHBondContact O-N 3.18Å
294R47.1Very low47.9Very low244 Ų244165 Ų16592%0.92182%0.816SS**  trans-80.9102.5173.6-89.6-160.8-174.9-143.16109.6
295G40.9Very low49.1Very low70 Ų70159.8 Ų159.872%0.72280%0.802SS**  trans-94.3125.5162.800000111.9Y293Y293-G295 PolarHBondContact O-N 3.18Å
296R44.5Very low49.8Very low248 Ų248166.1 Ų166.194%0.93682%0.816SS**  trans-174.7136.3159.3-108.6-157172.6-133.31.9106.7
297A43.8Very low50Low80 Ų80169.8 Ų169.866%0.66183%0.825SS**  cis-161.6171.5-9.900000109.8
298R45.2Very low50Low243 Ų243165.8 Ų165.892%0.91782%0.819SS**  trans99102.8-175.1-64.3175.1172.6175.2-2110.9
299A50.1Low50.2Low94 Ų94168.5 Ų168.578%0.77782%0.822SS**  cis56.7121.44900000111.4
300T52.3Low50.6Low132 Ų132163.6 Ų163.681%0.8182%0.815SS**  cis-116.5-175.31.856.60000110
301S54.6Low51.3Low104 Ų104169.4 Ų169.473%0.72782%0.82SS**  cis-143-164.110.4-154.10000113.3
302W53.7Low51.4Low235 Ų235166 Ų16689%0.8982%0.819SS**  trans-111.8157.5-168.6-46.476.7000112.7
303Y56.8Low51.8Low209 Ų209168.5 Ų168.582%0.8282%0.821SS**  trans99.5111.6152.9-151.5-96.8000120.4
304S64.6Low52.7Low104 Ų104165.6 Ų165.673%0.72782%0.822SS**  trans-175.5152.7163.2-176.30000106
305P67.8Low53.1Low95 Ų95159.1 Ų159.162%0.61781%0.813SS**  cis-125.5172.2-2.439.3-24.1000114.6
306Y63.5Low54.3Low295 Ų295167.2 Ų167.2100%1.15782%0.822SS**  -119.80124.6-94.5-79000107.2

Retrieved 306 of 306 residues in 37.3 ms (Link to these results)