A0A096NI16_PAPAN Loading...

Nuclear transcription factor Y subunit

Component of the sequence-specific heterotrimeric transcription factor (NF-Y) which specifically recognizes a 5'-CCAAT-3' box motif found in the promoters of its target genes.

AlphaFold DB (P23511), UniProt , Accession A0A096NI16, Species PAPAN (Papio anubis, Olive baboon), Gene NFYA, Length 347 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
1M47.4Very low48.7Very low244 Ų244150.2 Ų150.2100%1.20283%0.831SS**  0120.40-125.2-176.9-81.900106.7
2E50.2Low48.5Very low171 Ų171148.4 Ų148.480%0.79983%0.827SS**  trans-72.6152.2-152.3-67155.4125.500115.3
3Q43.5Very low48.4Very low165 Ų165150.4 Ų150.477%0.77183%0.826SS**  trans-80.1143.5173.5-56.3-163.365.800110.8
4Y53.6Low47.9Very low220 Ų220152.8 Ų152.886%0.86383%0.829SS**  trans-137.995.4153-77.1-80.6000109.6
5T50.4Low47.5Very low128 Ų128152.3 Ų152.379%0.78582%0.823SS**  trans-97.6113157.846.70000106.9
6A52.5Low47.1Very low106 Ų106150.9 Ų150.988%0.87682%0.821SS**PPolyproline II helixtrans-100.3117.5173.500000109.1
7N49.2Very low46.7Very low143 Ų143149.5 Ų149.577%0.76582%0.818SS**PPolyproline II helixtrans-75.5144.4-174.2-159.519.9000111.2
8S44.3Very low46.6Very low103 Ų103151.3 Ų151.372%0.7282%0.82SS**PPolyproline II helixtrans-71.1126170.942.10000111.4
9N47.9Very low46.3Very low149 Ų149148.6 Ų148.680%0.79782%0.82SS**  trans-118.1108.7166.1-81.7-16.8000109.9
10S45.4Very low46.2Very low111 Ų111144.6 Ų144.678%0.77681%0.814SS**  trans-86.3110.3160.2168.60000107.2
11S51.3Low46Very low112 Ų112147.2 Ų147.278%0.78382%0.82SS**  trans-89.3113.1168.4-86.30000109E13S11-E13 PolarHBondContact O-N 3.46Å
12T46.8Very low45.5Very low129 Ų129143.4 Ų143.479%0.79180%0.803SS**  trans-82.2102.9168.9-31.60000107.8
13E47.1Very low44.9Very low174 Ų174144.2 Ų144.281%0.81381%0.807SS**  trans-86.1117.1170-72.7-168.3160.200109.8S11 I15S11-E13 PolarHBondContact O-N 3.46Å; E13-I15 PolarHBondContact O-N 3.5Å
14Q41.3Very low44.6Very low184 Ų184144.7 Ų144.786%0.8681%0.809SS**  trans-74.3115.9172.3-65.9-177.25200109.1
15I41.3Very low43.7Very low145 Ų145143.6 Ų143.674%0.74481%0.812SS**  trans-99.5108.1166.9-63173.4000107.7E13 V17E13-I15 PolarHBondContact O-N 3.5Å; I15-V17 HydrophobicContact CG2-CG2 4.02Å; I15-V17 PolarHBondContact O-N 3.46Å
16V42Very low43.1Very low130 Ų130145.2 Ų145.279%0.78881%0.81SS**  trans-69.6117.3168.2170.50000108.2
17V39.7Very low42.5Very low127 Ų127150 Ų15077%0.7781%0.814SS**  trans-111.7109.3172.4-163.90000108.3I15I15-V17 HydrophobicContact CG2-CG2 4.02Å; I15-V17 PolarHBondContact O-N 3.46Å
18Q45.9Very low41.9Very low182 Ų182147 Ų14785%0.8582%0.818SS**  trans-79.8116.7175.7-173.5142.130.500109.6G20Q18-G20 PolarHBondContact O-N 3.45Å
19A39.9Very low41.5Very low100 Ų100146 Ų14683%0.82682%0.823SS**  trans-75.6110.6176.400000110.4
20G43.8Very low40.6Very low68 Ų68146.1 Ų146.170%0.70183%0.829SS**  trans-87130.3166.300000110.7Q18Q18-G20 PolarHBondContact O-N 3.45Å
21Q43.2Very low40.2Very low201 Ų201147.1 Ų147.194%0.93983%0.831SS**  trans-60.9132.3178.2-67.5-176.8-25.900111.6
22I36.6Very low39.3Very low164 Ų164146.5 Ų146.584%0.84183%0.833SS**  trans-110.4119.4166-58.2-175.1000108.2
23Q38.3Very low38.8Very low188 Ų188146.6 Ų146.688%0.87983%0.832SS**  trans-76.3124.9173.3-169.2164.976.100109.2
24Q36.1Very low38Very low175 Ų175146.2 Ų146.282%0.81883%0.831SS**  trans-73.9131.5172.3-83.8177.550.400110.4
25Q36.1Very low37.8Very low197 Ų197145.5 Ų145.592%0.92183%0.832SS**  trans-136.9119.9158.6-157.7168.156.400109.2
26Q36.7Very low37.3Very low162 Ų162146.5 Ų146.576%0.75783%0.833SS**  trans-85.9140.5175.5-70.917222.200110.7
27Q39.3Very low37Very low205 Ų205147 Ų14796%0.95884%0.837SS**  trans166.8134.5151.7-97.3169.362.800105.6
28G36.8Very low36.6Very low82 Ų82149.8 Ų149.885%0.84584%0.842SS**  cis151.3146.415.100000105.6
29G35.3Very low36.1Very low81 Ų81145.7 Ų145.784%0.83584%0.839SS**  trans120.885.4163.800000116.7
30V30.4Very low35.9Very low151 Ų151150.4 Ų150.492%0.91584%0.844SS**  trans-94.7129.3157-84.80000108.6
31T37.1Very low35.2Very low133 Ų133154 Ų15482%0.81685%0.852SS**  trans-114.2109.2168.7-55.90000108.1V33T31-V33 HydrophobicContact CG2-CG2 4.42Å
32A30.9Very low34.8Very low99 Ų99149.3 Ų149.382%0.81885%0.848SS**  trans-94.4129.2166.900000108.6
33V37.5Very low34.6Very low130 Ų130147 Ų14779%0.78885%0.846SS**  trans-105.8116169.6177.40000108.1T31T31-V33 HydrophobicContact CG2-CG2 4.42Å
34Q29.8Very low34.2Very low166 Ų166142.4 Ų142.478%0.77684%0.84SS**  trans-90.1134.2177.5178.4132.251.800109.7
35L37.2Very low33.9Very low169 Ų169139.7 Ų139.789%0.88584%0.841SS**  trans-133.5114.5159.2-83.3164.4000109.2
36Q30.8Very low33.7Very low166 Ų166133.9 Ų133.978%0.77683%0.833SS**  trans-71.7150.4168.7-80.8162.5-32.900110.3
37T35.4Very low33.5Very low142 Ų142135 Ų13587%0.87184%0.838SS**  trans-161.8131.2131.6-70.40000109.3
38E32.3Very low33.1Very low184 Ų184133.9 Ų133.986%0.8683%0.833SS**  trans-74.6150.7-177.9-68.1160.595.300113.9
39A35.7Very low32.9Very low96 Ų96135.7 Ų135.779%0.79383%0.827SS**  trans-168.9102.6137.900000112.5
40Q35.2Very low33Very low200 Ų200138.8 Ų138.894%0.93582%0.82SS**  trans42.5132.6139.5-57.3-164.3-0.500123.7
41V29.2Very low33Very low144 Ų144137.3 Ų137.387%0.87381%0.812SS**  trans-93.7137.1-179.8179.60000110.2
42A33.5Very low32.8Very low102 Ų102137.8 Ų137.884%0.84381%0.809SS**  trans-150.6126.1152.200000110.5
43S32.9Very low32.7Very low116 Ų116142.3 Ų142.381%0.81181%0.813SS**  trans-81.3136.6-171.851.10000113.7
44A30.2Very low32.5Very low91 Ų91142 Ų14275%0.75281%0.811SS**  trans-168120.1145.900000110.6
45S30Very low32.5Very low118 Ų118140.5 Ų140.583%0.82581%0.813SS**SBendtrans37.4106.715357.90000119.6
46G30.7Very low32.2Very low74 Ų74141.3 Ų141.376%0.76381%0.812SS**SBendtrans89.1123.5147.900000116.3
47Q32.6Very low32.3Very low186 Ų186136.9 Ų136.987%0.86981%0.811SS**  trans61.290.2168.9-59.5-174.44.300116V49Q47-V49 PolarHBondContact O-N 3.44Å
48Q31.4Very low32.3Very low181 Ų181139 Ų13985%0.84681%0.811SS**  trans-83.4100.8163.8-71-1491000110.5
49V33.5Very low32.5Very low120 Ų120136.4 Ų136.473%0.72781%0.81SS**  trans-89102.9160.3-178.90000106.6Q47 T51Q47-V49 PolarHBondContact O-N 3.44Å; V49-T51 HydrophobicContact CG1-CG2 4.32Å; V49-T51 PolarHBondContact O-N 2.98Å
50Q36.2Very low32.7Very low146 Ų146137.2 Ų137.268%0.68280%0.8SS**  trans-84.8101.1175.1-165.695.967.400108.8L52Q50-L52 HydrophobicContact CG-CD1 3.51Å
51T31.2Very low32.6Very low121 Ų121135.9 Ų135.974%0.74280%0.796SS**  trans-80.7114.3167.350.30000108.4V49V49-T51 HydrophobicContact CG1-CG2 4.32Å; V49-T51 PolarHBondContact O-N 2.98Å
52L33Very low33.3Very low143 Ų143132.4 Ų132.475%0.74978%0.775SS**  trans-95.9122.8165.2-95.981.5000109.7Q50Q50-L52 HydrophobicContact CG-CD1 3.51Å
53Q29.1Very low33.5Very low194 Ų194135.3 Ų135.391%0.90777%0.771SS**  trans-69.3120.4177.9-165.2175.310.100109.8
54V32.3Very low33.9Very low124 Ų124135.1 Ų135.175%0.75277%0.765SS**  trans-117.9118.3174.7179.50000109.1
55V31.2Very low34.2Very low134 Ų134135 Ų13581%0.81276%0.758SS**SBendtrans-68.7127.8167.91750000108.1
56Q30.4Very low35Very low186 Ų186133.3 Ų133.387%0.86976%0.759SS**SBendtrans75.486171.2-131175.918.500117.6
57G31.6Very low36.1Very low72 Ų72133.7 Ų133.774%0.74276%0.763SS**SBendtrans94.459.2133.600000119.9
58Q36.2Very low36.8Very low188 Ų188129.3 Ų129.388%0.87974%0.743SS**  trans154.7128.7136.9-88.5-169.332.400110L60Q58-L60 PolarHBondContact O-N 3.36Å
59P36.7Very low37.4Very low128 Ų128125.6 Ų125.683%0.83173%0.728SS**  trans-80.1114.5177.931-30.3000110.5
60L38.8Very low38Very low114 Ų114123.2 Ų123.260%0.59771%0.711SS**  trans-89.8101.3168.2-161.175.1000108.5Q58 V62Q58-L60 PolarHBondContact O-N 3.36Å; L60-V62 HydrophobicContact CD2-CG2 4.13Å; L60-V62 HydrophobicContact CG-CG2 4.26Å; L60-V62 PolarHBondContact O-N 3.32Å
61M34.7Very low38.8Very low172 Ų172117.5 Ų117.585%0.84769%0.686SS**  trans-72.1118.3168.8-67.1-136.8-58.400109
62V42.2Very low39.8Very low71 Ų71116.4 Ų116.443%0.4368%0.683SS.*  trans-110.5111.4177.5-173.60000107.6L60 L69L60-V62 HydrophobicContact CD2-CG2 4.13Å; L60-V62 HydrophobicContact CG-CG2 4.26Å; L60-V62 PolarHBondContact O-N 3.32Å; V62-L69 HydrophobicContact CG1-CD2 4.3Å
63Q38.6Very low40.9Very low163 Ų163114.8 Ų114.876%0.76268%0.679SS**  trans-92118.4176.6-174.1165.8-5.800109.3
64V41.2Very low42.1Very low111 Ų111108.2 Ų108.267%0.67366%0.664SS**  trans-92.7106.7178.8-135.90000107.9
65S37.4Very low43.1Very low89 Ų89108.7 Ų108.762%0.62266%0.658SS**BIsolated β-bridgetrans-127.8118.2169.8-167.80000107.9
66G45Very low44Very low82 Ų82106 Ų10685%0.84564%0.643SS**THydrogen-bonded Turntrans74.129174.400000117Q68G66-Q68 PolarHBondContact O-N 2.92Å
67G53.8Low44.6Very low82 Ų82101.7 Ų101.785%0.84563%0.625SS**THydrogen-bonded Turntrans77.712.617100000115.9
68Q49Very low45Very low95 Ų95106.4 Ų106.444%0.44463%0.63SS.*BIsolated β-bridgetrans-117.7133-179.3-151.2167.465.100111.2G66 I70G66-Q68 PolarHBondContact O-N 2.92Å; Q68-I70 PolarHBondContact O-N 3.12Å
69L43Very low45.3Very low102 Ų102103.3 Ų103.353%0.53462%0.623SS.*  trans-81.1110.7173.8-68.9165.7000108.7V62V62-L69 HydrophobicContact CG1-CD2 4.3Å
70I46.7Very low45.1Very low70 Ų70105.9 Ų105.936%0.35962%0.624SS.*BIsolated β-bridgetrans-113.7124.5-180-51.3173.5000107.7Q68Q68-I70 PolarHBondContact O-N 3.12Å
71T53.5Low45Very low27 Ų27104.6 Ų104.617%0.16663%0.63CS.*  trans-73.9156.7170.459.60000110T73 G74 Q75 I77T71-T73 PolarHBondContact O-N 3.2Å; T71-T73 PolarHBondContact OG1-OG1 2.89Å; T71-G74 PolarHBondContact O-N 3.2Å; T71-Q75 PolarHBondContact OG1-O 2.86Å; T71-I77 HydrophobicContact CG2-CD1 3.55Å; T71-I77 HydrophobicContact CG2-CG1 3.73Å
72S51.2Low45.1Very low98 Ų98102.6 Ų102.669%0.68563%0.627SS**THydrogen-bonded Turntrans-57.6-9.4175.652.60000114.8
73T56.8Low45.1Very low108 Ų108105 Ų10566%0.66365%0.645SS**THydrogen-bonded Turntrans-93.53.8175.455.10000114T71 Q75T71-T73 PolarHBondContact O-N 3.2Å; T71-T73 PolarHBondContact OG1-OG1 2.89Å; T73-Q75 PolarHBondContact O-N 3.29Å
74G54.2Low44.8Very low57 Ų57100.5 Ų100.559%0.58864%0.641SS**SBendtrans68.213.8-178.800000114.1T71T71-G74 PolarHBondContact O-N 3.2Å
75Q53.9Low44.4Very low134 Ų13498.9 Ų98.963%0.62665%0.648SS**  trans-89.1121.2177.5-73-95.6-1900108.9T71 T73 I77T71-Q75 PolarHBondContact OG1-O 2.86Å; T73-Q75 PolarHBondContact O-N 3.29Å; Q75-I77 PolarHBondContact O-N 3.21Å
76P48.9Very low44.3Very low77 Ų77104.5 Ų104.550%0.566%0.664SS.*BIsolated β-bridgetrans-66.3127.2169.926.8-31.3000108.9M78P76-M78 PolarHBondContact O-N 3.37Å
77I43.8Very low43.6Very low95 Ų95103.9 Ų103.949%0.48766%0.658SS.*  trans-72.2112.3171.1-67.4169.8000107.2T71 Q75 V79T71-I77 HydrophobicContact CG2-CD1 3.55Å; T71-I77 HydrophobicContact CG2-CG1 3.73Å; Q75-I77 PolarHBondContact O-N 3.21Å; I77-V79 PolarHBondContact O-N 2.89Å; I77-V79 VanDerWaalsContact O-N 3.1Å
78M39Very low42.7Very low172 Ų172106.3 Ų106.385%0.84765%0.647SS**  trans-66.7106.7166.5-74.6-139.8-6000108.8P76 Q80P76-M78 PolarHBondContact O-N 3.37Å; M78-Q80 PolarHBondContact O-N 3.23Å
79V42.1Very low42.2Very low122 Ų122106.7 Ų106.774%0.73966%0.656SS**  trans-78.3100.5173-151.70000107.2I77 A81I77-V79 PolarHBondContact O-N 2.89Å; I77-V79 VanDerWaalsContact O-N 3.1Å; V79-A81 PolarHBondContact O-N 3.24Å; V79-A81 VanDerWaalsContact O-N 3.09Å
80Q33.9Very low41.8Very low182 Ų182105.8 Ų105.885%0.8565%0.651SS**  trans-72.699.5176.2-176.914942.500109.1M78 V82M78-Q80 PolarHBondContact O-N 3.23Å; Q80-V82 PolarHBondContact O-N 2.9Å
81A35.9Very low41.2Very low87 Ų87107.7 Ų107.772%0.71966%0.659SS**  trans-70.8122.7169.800000109.5V79V79-A81 PolarHBondContact O-N 3.24Å; V79-A81 VanDerWaalsContact O-N 3.09Å
82V38.1Very low40.1Very low130 Ų130114 Ų11479%0.78869%0.687SS**  trans-72.6132.4174.1-179.20000108.4Q80 G84Q80-V82 PolarHBondContact O-N 2.9Å; V82-G84 PolarHBondContact O-N 3.09Å
83P40.4Very low39.7Very low123 Ų123113.5 Ų113.580%0.79968%0.68SS**  trans-76.196.1-176.929.6-31.3000110.6
84G33Very low38.9Very low67 Ų67112 Ų11269%0.69167%0.672SS**  trans-85.4144.9158.900000109.9V82V82-G84 PolarHBondContact O-N 3.09Å
85G33.7Very low38.5Very low78 Ų78114 Ų11480%0.80467%0.672SS**SBendtrans-51.8145-167.500000115.8
86Q33.8Very low37.9Very low206 Ų206113.7 Ų113.796%0.96369%0.685SS**SBendtrans64.2101.9176.7-52.3-165.43.200115.2
87G31.8Very low37.6Very low69 Ų69112.5 Ų112.571%0.71169%0.687SS**  trans142.1108162.700000114.1T89G87-T89 PolarHBondContact O-N 2.66Å
88Q34.7Very low37.3Very low134 Ų134114.6 Ų114.663%0.62670%0.704SS**  trans0.8107.9152.6-157.2-175.382.700116.1I90Q88-I90 HydrophobicContact CG-CG1 4.3Å; Q88-I90 PolarHBondContact O-N 3.03Å
89T38.1Very low37Very low103 Ų103116.1 Ų116.163%0.63271%0.709SS**  trans-83.1105.8169.5-51.10000109.5G87G87-T89 PolarHBondContact O-N 2.66Å
90I34.6Very low37Very low82 Ų82112.3 Ų112.342%0.42170%0.695SS.*  trans-88.4104.6172.2-55.1176.2000107.8Q88 Q92Q88-I90 HydrophobicContact CG-CG1 4.3Å; Q88-I90 PolarHBondContact O-N 3.03Å; I90-Q92 HydrophobicContact CG2-CG 4.1Å; I90-Q92 PolarHBondContact O-N 3.26Å
91M33.3Very low37.1Very low110 Ų110112 Ų11254%0.54270%0.698SS.*  trans-87.995.4172.4-166-179-63.900108.7V93M91-V93 HydrophobicContact CG-CG2 4.28Å; M91-V93 PolarHBondContact O-N 3.08Å
92Q31.2Very low37.1Very low159 Ų159113 Ų11374%0.74369%0.688SS**  trans-82.3107.5171-83.5175.94200109.3I90 P94I90-Q92 HydrophobicContact CG2-CG 4.1Å; I90-Q92 PolarHBondContact O-N 3.26Å; Q92-P94 WeakPolarHBondContact O-CD 3.44Å
93V41.7Very low36.8Very low88 Ų88113.9 Ų113.953%0.53368%0.683SS.*  trans-96.4111.8168-177.10000107.5M91 V95M91-V93 HydrophobicContact CG-CG2 4.28Å; M91-V93 PolarHBondContact O-N 3.08Å; V93-V95 PolarHBondContact O-N 2.9Å; V93-V95 VanDerWaalsContact O-N 3.16Å
94P40.1Very low36.6Very low76 Ų76112 Ų11249%0.49467%0.666SS.*  trans-72.6109.5173.427.9-30.3000108.9Q92 S96Q92-P94 WeakPolarHBondContact O-CD 3.44Å; P94-S96 PolarHBondContact O-N 2.65Å
95V47.2Very low36.6Very low99 Ų99113 Ų11360%0.665%0.652SS**  trans-74.1106.3167.8-68.90000108.2V93 G97V93-V95 PolarHBondContact O-N 2.9Å; V93-V95 VanDerWaalsContact O-N 3.16Å; V95-G97 PolarHBondContact O-N 3.37Å; V95-G97 VanDerWaalsContact O-N 3.11Å
96S40.5Very low36.7Very low128 Ų128114.1 Ų114.190%0.89564%0.639SS**  trans-73.3100.9174.6-49.60000109.1P94P94-S96 PolarHBondContact O-N 2.65Å
97G42.4Very low37Very low53 Ų53109.6 Ų109.655%0.54663%0.626SS.*SBendtrans156.598.9176.200000110.4V95V95-G97 PolarHBondContact O-N 3.37Å; V95-G97 VanDerWaalsContact O-N 3.11Å
98T38.3Very low37.4Very low138 Ų138111.2 Ų111.285%0.84762%0.624SS**SBendtrans48.697.4163.461.30000116.6
99Q33.3Very low37.6Very low204 Ų204111.6 Ų111.695%0.95364%0.638SS**SBendtrans51.788.2150.9-61.9-100.7-19.800116.2
100G40.9Very low37.6Very low42 Ų42109.3 Ų109.343%0.43363%0.634SS.*  trans169.2104.2165.300000113.5Q102G100-Q102 PolarHBondContact O-N 2.92Å
101L35.4Very low37.5Very low176 Ų176114.4 Ų114.492%0.92166%0.657SS**  trans-73.5102.9166.8-69.5168.6000108.2
102Q36.2Very low37.5Very low108 Ų108116.8 Ų116.851%0.50567%0.67SS.*  trans-94.5115.2166.3-85.6-174.583.900109.5G100 I104G100-Q102 PolarHBondContact O-N 2.92Å; Q102-I104 HydrophobicContact CB-CD1 4.33Å; Q102-I104 PolarHBondContact O-N 3.35Å
103Q32.9Very low37.6Very low148 Ų148118.1 Ų118.169%0.69268%0.676SS**  trans-79.8106.4167.2-179.6-177.369.100108Q105Q103-Q105 PolarHBondContact O-N 3.34Å
104I36.6Very low37.2Very low85 Ų85119.5 Ų119.544%0.43668%0.679SS.*  trans-80.799.1167.8-70.989.4000107.3Q102 L106Q102-I104 HydrophobicContact CB-CD1 4.33Å; Q102-I104 PolarHBondContact O-N 3.35Å; I104-L106 HydrophobicContact CG2-CD1 3.8Å; I104-L106 PolarHBondContact O-N 3.25Å
105Q31.8Very low37.2Very low86 Ų86125.8 Ų125.840%0.40270%0.702SS.*  trans-79.1103.2166.8-17664.973.200108.2Q103 V107Q103-Q105 PolarHBondContact O-N 3.34Å; Q105-V107 HydrophobicContact CG-CG2 4.04Å; Q105-V107 PolarHBondContact O-N 2.86Å; Q105-V107 VanDerWaalsContact O-N 3.17Å
106L35.9Very low36.8Very low102 Ų102124.1 Ų124.153%0.53471%0.705SS.*  trans-69.9106168.6-123.169.1000107.9I104I104-L106 HydrophobicContact CG2-CD1 3.8Å; I104-L106 PolarHBondContact O-N 3.25Å
107V39.9Very low36.7Very low111 Ų111122 Ų12267%0.67370%0.703SS**  trans-93122.6170.9-177.30000107.6Q105Q105-V107 HydrophobicContact CG-CG2 4.04Å; Q105-V107 PolarHBondContact O-N 2.86Å; Q105-V107 VanDerWaalsContact O-N 3.17Å
108P40.8Very low36.4Very low103 Ų103126.7 Ų126.767%0.66971%0.711SS**  trans-57.3145.8173.2-20.531.3000110.5G110P108-G110 PolarHBondContact O-N 2.83Å
109P38.1Very low36.3Very low143 Ų143124.7 Ų124.793%0.92971%0.708SS**SBendtrans-66.795.5-179.328.4-33.1000109.6
110G37.9Very low36.3Very low54 Ų54120.5 Ų120.556%0.55770%0.696SS**  trans-146.3104178.500000108.9P108 I112P108-G110 PolarHBondContact O-N 2.83Å; G110-I112 PolarHBondContact O-N 3.05Å
111Q32.8Very low36.1Very low190 Ų190127.4 Ų127.489%0.88872%0.717SS**  trans30.287.4162.4-59.8-121.964.300116Q113Q111-Q113 PolarHBondContact O-N 2.88Å
112I34.4Very low36.2Very low160 Ų160125.4 Ų125.482%0.82171%0.712SS**  trans-76.994.5164.6-62169.4000107.2G110 I114G110-I112 PolarHBondContact O-N 3.05Å; I112-I114 PolarHBondContact O-N 3.41Å
113Q32.1Very low35.9Very low186 Ų186129.8 Ų129.887%0.86973%0.733SS**  trans-78.2105.7169.8-171.5163.538.800108.2Q111Q111-Q113 PolarHBondContact O-N 2.88Å
114I34.5Very low36.2Very low118 Ų118125.7 Ų125.761%0.60573%0.73SS**  trans-75.1125.6175.3-22.2-180000107.3I112 G116I112-I114 PolarHBondContact O-N 3.41Å; I114-G116 PolarHBondContact O-N 3.43Å
115Q39.2Very low36.3Very low207 Ų207130.7 Ų130.797%0.96775%0.752SS**SBendtrans-64.782.6173.9-165.6176.637.100108.4
116G39.3Very low36.4Very low64 Ų64136.2 Ų136.266%0.6678%0.778SS**SBendtrans160.241-166.800000113.2I114 Q118I114-G116 PolarHBondContact O-N 3.43Å; G116-Q118 VanDerWaalsContact C-N 3.33Å; G116-Q118 PolarHBondContact O-N 3.05Å
117G38.3Very low36.6Very low83 Ų83135.1 Ų135.186%0.85679%0.791SS**SBendtrans65.1-2.415300000121.4
118Q36.4Very low36.4Very low152 Ų152137.5 Ų137.571%0.7179%0.794SS**  trans-129120.6176.8-71.1-146.9-9.400113.5G116G116-Q118 VanDerWaalsContact C-N 3.33Å; G116-Q118 PolarHBondContact O-N 3.05Å
119A35.5Very low36Very low96 Ų96139.5 Ų139.579%0.79381%0.805SS**  trans-91.1113.7169.700000109.1
120V34.6Very low35.7Very low116 Ų116138.9 Ų138.970%0.70379%0.79SS**  trans-96.8107.3170.4178.70000107.9V122V120-V122 HydrophobicContact CG1-CG2 4.42Å; V120-V122 PolarHBondContact O-N 3.13Å
121Q34.9Very low35.4Very low188 Ų188143.2 Ų143.288%0.87980%0.796SS**  trans-72.2111.8171.6-71.5-177.610.800109.1
122V37.6Very low35.5Very low134 Ų134140.6 Ų140.681%0.81279%0.786SS**  trans-9499.1168.8-166.10000107.5V120 G124V120-V122 HydrophobicContact CG1-CG2 4.42Å; V120-V122 PolarHBondContact O-N 3.13Å; V122-G124 PolarHBondContact O-N 3.04Å
123Q31Very low35.6Very low199 Ų199138 Ų13893%0.9377%0.773SS**  trans-71.486.1176.8-173.4174.59.800109.7
124G39.9Very low35.7Very low62 Ų62134.7 Ų134.764%0.63976%0.76SS**PPolyproline II helixtrans-100.2129.8173.100000111.6V122 Q126V122-G124 PolarHBondContact O-N 3.04Å; G124-Q126 PolarHBondContact O-N 3.43Å
125Q37.5Very low35.6Very low190 Ų190135.9 Ų135.989%0.88876%0.763SS**PPolyproline II helixtrans-52.5131.3179.8-75.6-177.4-26.800112.6G127Q125-G127 PolarHBondContact O-N 3.17Å
126Q34.6Very low35.6Very low203 Ų203133.6 Ų133.695%0.94975%0.753SS**THydrogen-bonded Turntrans-55.5122.6172.4-73.3-179.2-3.200110.2G124G124-Q126 PolarHBondContact O-N 3.43Å
127G38.6Very low35.5Very low79 Ų79136.2 Ų136.281%0.81476%0.758SS**THydrogen-bonded Turntrans136.8-10.2161.800000117.8Q125Q125-G127 PolarHBondContact O-N 3.17Å
128Q35.6Very low35.5Very low160 Ų160139.9 Ų139.975%0.74875%0.753SS**  trans-120.6118176.4-70.1-156.252.700112.3Q130Q128-Q130 PolarHBondContact O-N 2.86Å
129T32.8Very low35.5Very low146 Ų146138.7 Ų138.790%0.89676%0.756SS**  trans-69.496.8170.150.90000109.4
130Q31.5Very low35.5Very low129 Ų129138.8 Ų138.860%0.60376%0.757SS**  trans-83.7112.1169.4-64.7-156.481.400109.4Q128 I132Q128-Q130 PolarHBondContact O-N 2.86Å; Q130-I132 PolarHBondContact O-N 3.07Å
131Q32.4Very low35.7Very low145 Ų145139.9 Ų139.968%0.67876%0.763SS**  trans-74.1116.8166.3-85.4-175.950.700108.9
132I34.4Very low35.7Very low135 Ų135137.3 Ų137.369%0.69276%0.761SS**  trans-91.8114.5171.1-63.4164.9000107Q130 I134Q130-I132 PolarHBondContact O-N 3.07Å; I132-I134 HydrophobicContact CG2-CG1 3.91Å
133I36.2Very low35.4Very low106 Ų106135.9 Ų135.954%0.54476%0.763SS.*  trans-93.4104.7173.5-61.3170.3000107.7Q135I133-Q135 HydrophobicContact CG2-CG 4.22Å
134I34.1Very low35.6Very low117 Ų117129.6 Ų129.660%0.675%0.752SS**  trans-88104.1172.7-55177.4000107.6I132I132-I134 HydrophobicContact CG2-CG1 3.91Å
135Q32.8Very low35.6Very low143 Ų143136.2 Ų136.267%0.66877%0.766SS**  trans-88.1108.4169.5-84.6162.17900108.9I133I133-Q135 HydrophobicContact CG2-CG 4.22Å
136Q38.9Very low35.3Very low159 Ų159133.3 Ų133.374%0.74376%0.761SS**  trans-74.9134.8166.9-86.8-175.933.900110Q138Q136-Q138 PolarHBondContact O-N 3.18Å
137P37.2Very low35.5Very low119 Ų119131.9 Ų131.977%0.77375%0.754SS**  trans-72.4109.1170.828.1-30.6000109.7
138Q38.8Very low35Very low160 Ų160133.9 Ų133.975%0.74875%0.751SS**PPolyproline II helixtrans-83.4116.2167.2-77.7-173.5-0.800109.7Q136Q136-Q138 PolarHBondContact O-N 3.18Å
139T37.1Very low35.1Very low127 Ų127135.7 Ų135.778%0.77976%0.76SS**PPolyproline II helixtrans-77.3116.7168.143.80000109.6V141T139-V141 PolarHBondContact O-N 3.47Å
140A34.6Very low35Very low98 Ų98138.1 Ų138.181%0.8176%0.761SS**PPolyproline II helixtrans-71.1117.8170.800000109.9
141V38.2Very low35Very low138 Ų138141 Ų14184%0.83678%0.775SS**  trans-96.2102.3168.7-74.10000108.5T139T139-V141 PolarHBondContact O-N 3.47Å
142T36.9Very low35Very low135 Ų135141.3 Ų141.383%0.82878%0.779SS**  trans-80.8120.3167.3-62.40000108.3G144T142-G144 PolarHBondContact O-N 2.68Å
143A31.2Very low34.9Very low104 Ų104139.8 Ų139.886%0.8679%0.786SS**  trans-63.1125.8178.600000111.3
144G34.7Very low34.8Very low67 Ų67139.5 Ų139.569%0.69179%0.79SS**  trans156.1108.1169.400000113T142T142-G144 PolarHBondContact O-N 2.68Å
145Q39.3Very low35Very low200 Ų200142.8 Ų142.894%0.93580%0.803SS**  trans88.7109163.8-54.2-164.4-23.100118.3
146T32.1Very low35.4Very low129 Ų129138.7 Ų138.779%0.79180%0.798SS**  trans-55.9131.6164.747.90000113.2
147Q37.2Very low35.8Very low173 Ų173136.6 Ų136.681%0.80879%0.788SS**  169.8114.4120.7-92.7178.542.400111.3
148T29.9Very low36.2Very low122 Ų122137.2 Ų137.275%0.74878%0.781SS**  trans37.496.2142.360.60000118.8
149Q36Very low36.6Very low198 Ų198133.7 Ų133.793%0.92577%0.77SS**  trans-166.5137.1131.7-108.8-177.7104.500111.4
150Q31.1Very low37.1Very low197 Ų197128.8 Ų128.892%0.92174%0.743SS**  trans-62.7127.7178.2-63174.859.100110.2
151Q32.1Very low37.3Very low190 Ų190130 Ų13089%0.88873%0.731SS**  trans-145.4126.7161.2-156.3161.366.200112.1
152I32Very low37.9Very low150 Ų150124.7 Ų124.777%0.76970%0.7SS**  trans-65.9121.3-175.7-65.4152.9000109.4V154I152-V154 HydrophobicContact CG2-CG2 3.85Å; I152-V154 PolarHBondContact O-N 2.77Å
153A32.1Very low38.4Very low103 Ų103122.8 Ų122.885%0.85170%0.698SS**  trans-80.8104.4170.500000109.5
154V34.9Very low39.1Very low101 Ų101124.4 Ų124.461%0.61269%0.687SS**PPolyproline II helixtrans-90.2125.2175-1780000109.9I152I152-V154 HydrophobicContact CG2-CG2 3.85Å; I152-V154 PolarHBondContact O-N 2.77Å
155Q37.2Very low39.9Very low186 Ų186124 Ų12487%0.86968%0.683SS**PPolyproline II helixtrans-50.9134.8-176.5-137.8172.866.800113.6
156G42.6Very low40.1Very low56 Ų56120 Ų12058%0.57766%0.664SS**PPolyproline II helixtrans-75150-167.600000116.7Q158G156-Q158 PolarHBondContact O-N 2.97Å
157Q46.5Very low40.9Very low115 Ų115117.6 Ų117.654%0.53765%0.65SS.*  trans-57.8115.1163.1-85.5-17771.400109.7V159Q157-V159 PolarHBondContact O-N 2.78Å
158Q45.6Very low41.4Very low133 Ų133112.5 Ų112.562%0.62163%0.627SS**EExtended strand (participates in β ladder)trans-81.1111.7174.1-66.3-165.169.500109.2G156 Y170G156-Q158 PolarHBondContact O-N 2.97Å; Q158-Y170 PolarHBondContact O-N 3.42Å
159V47.9Very low42.6Very low85 Ų85109.7 Ų109.752%0.51561%0.61SS.*EExtended strand (participates in β ladder)trans-98.9112.6174.2-138.60000107.3Q157 T167 V169Q157-V159 PolarHBondContact O-N 2.78Å; V159-T167 HydrophobicContact CG1-CG2 3.37Å; V159-V169 HydrophobicContact CG1-CG2 4.1Å
160A46Very low43Very low25 Ų25107.1 Ų107.121%0.20759%0.593CS.*EExtended strand (participates in β ladder)trans-100.9121.8175.300000109.3I168 Y170A160-I168 HydrophobicContact CB-CB 4.48Å; A160-I168 PolarHBondContact N-O 3.03Å; A160-I168 PolarHBondContact O-N 3.35Å; A160-Y170 HydrophobicContact CB-CD2 4.3Å; A160-Y170 HydrophobicContact CB-CE2 3.74Å
161Q39.6Very low44.1Very low122 Ų122103.3 Ų103.357%0.5758%0.575SS**EExtended strand (participates in β ladder)trans-94.3123.6168.9-78.5175.219.200109.2Q166Q161-Q166 WeakPolarHBondContact CA-O 3.45Å
162T51.5Low44.9Very low28 Ų2897.9 Ų97.917%0.17256%0.556CS.*PPolyproline II helixtrans-72.3156.6167.656.90000109.7E164 G165 Q166 I168T162-E164 PolarHBondContact O-N 3.14Å; T162-G165 PolarHBondContact O-N 3.35Å; T162-Q166 PolarHBondContact N-O 3.28Å; T162-Q166 WeakPolarHBondContact OG1-CA 3.49Å; T162-Q166 VanDerWaalsContact OG1-CB 3.26Å; T162-Q166 WeakPolarHBondContact OG1-CB 3.44Å; T162-Q166 PolarHBondContact OG1-N 2.8Å; T162-Q166 PolarHBondContact OG1-O 3.5Å; T162-Q166 VanDerWaalsContact OG1-O 3.14Å; T162-I168 HydrophobicContact CG2-CD1 3.89Å
163A47.1Very low46Very low95 Ų9594.7 Ų94.779%0.78554%0.544SS*.THydrogen-bonded Turntrans-59.5-13.4175.100000113.3G165A163-G165 VanDerWaalsContact C-N 3.34Å
164E45.7Very low47Very low137 Ų13792.5 Ų92.564%0.6452%0.517SS*.THydrogen-bonded Turntrans-88.71.3176.8-55.1-179-175.600113T162 Q166T162-E164 PolarHBondContact O-N 3.14Å; E164-Q166 VanDerWaalsContact C-N 3.29Å; E164-Q166 PolarHBondContact O-N 3.3Å
165G51.2Low48.2Very low58 Ų5893.4 Ų93.460%0.59854%0.536SS*.SBendtrans77.98-178.100000114.3T162 A163 T167T162-G165 PolarHBondContact O-N 3.35Å; A163-G165 VanDerWaalsContact C-N 3.34Å; G165-T167 PolarHBondContact O-N 3.16Å
166Q43.3Very low49.3Very low117 Ų11790 Ų9055%0.54752%0.524SS..  trans-74.3127.3169-62.6-17129.900109.9Q161 T162 E164Q161-Q166 WeakPolarHBondContact CA-O 3.45Å; T162-Q166 PolarHBondContact N-O 3.28Å; T162-Q166 WeakPolarHBondContact OG1-CA 3.49Å; T162-Q166 VanDerWaalsContact OG1-CB 3.26Å; T162-Q166 WeakPolarHBondContact OG1-CB 3.44Å; T162-Q166 PolarHBondContact OG1-N 2.8Å; T162-Q166 PolarHBondContact OG1-O 3.5Å; T162-Q166 VanDerWaalsContact OG1-O 3.14Å; E164-Q166 VanDerWaalsContact C-N 3.29Å; E164-Q166 PolarHBondContact O-N 3.3Å
167T50Low49.8Very low79 Ų7990 Ų9049%0.48552%0.524SS..EExtended strand (participates in β ladder)trans-92.9108.3173-57.10000108.4V159 G165 V169V159-T167 HydrophobicContact CG1-CG2 3.37Å; G165-T167 PolarHBondContact O-N 3.16Å; T167-V169 HydrophobicContact CG2-CG2 4.48Å
168I47.8Very low50.1Low65 Ų6587.7 Ų87.733%0.33352%0.517SS..EExtended strand (participates in β ladder)trans-94.1115.5173.8-56.7176.7000107.5A160 T162 Y170A160-I168 HydrophobicContact CB-CB 4.48Å; A160-I168 PolarHBondContact N-O 3.03Å; A160-I168 PolarHBondContact O-N 3.35Å; T162-I168 HydrophobicContact CG2-CD1 3.89Å; I168-Y170 HydrophobicContact CB-CE2 4.44Å; I168-Y170 HydrophobicContact CG2-CD2 4.17Å; I168-Y170 HydrophobicContact CG2-CE2 3.83Å
169V53.9Low50.3Low64 Ų6485.8 Ų85.839%0.38851%0.51SS..EExtended strand (participates in β ladder)trans-92.6111.2174.3-175.80000107.6V159 T167 Q171V159-V169 HydrophobicContact CG1-CG2 4.1Å; T167-V169 HydrophobicContact CG2-CG2 4.48Å; V169-Q171 HydrophobicContact CG1-CG 4.48Å; V169-Q171 PolarHBondContact O-N 3.4Å
170Y45.4Very low50.1Low143 Ų14386 Ų8656%0.56151%0.508SS*.EExtended strand (participates in β ladder)trans-78.7107.2172.9-74-92.3000109.2Q158 A160 I168Q158-Y170 PolarHBondContact O-N 3.42Å; A160-Y170 HydrophobicContact CB-CD2 4.3Å; A160-Y170 HydrophobicContact CB-CE2 3.74Å; I168-Y170 HydrophobicContact CB-CE2 4.44Å; I168-Y170 HydrophobicContact CG2-CD2 4.17Å; I168-Y170 HydrophobicContact CG2-CE2 3.83Å
171Q54.3Low49.8Very low117 Ų11792.7 Ų92.755%0.54754%0.535SS..PPolyproline II helixtrans-89.8120.7168.3-77.2168.438.700108.8V169 V173V169-Q171 HydrophobicContact CG1-CG 4.48Å; V169-Q171 PolarHBondContact O-N 3.4Å; Q171-V173 PolarHBondContact O-N 2.87Å
172P48Very low49.6Very low77 Ų7791.7 Ų91.750%0.553%0.531SS..PPolyproline II helixtrans-67.3123.2173.427.5-31.8000109.3L180P172-L180 HydrophobicContact CB-CD1 4.46Å; P172-L180 PolarHBondContact O-N 2.76Å
173V54.5Low48.6Very low83 Ų8396 Ų9650%0.50356%0.557SS.*BIsolated β-bridgetrans-101.5145.6167.4-63.40000108Q171 T178 I179Q171-V173 PolarHBondContact O-N 2.87Å; V173-T178 CarbonylContact C-O 3.57Å; V173-T178 WeakPolarHBondContact CA-O 3.09Å; V173-I179 HydrophobicContact CG1-CD1 3.89Å; V173-I179 HydrophobicContact CG1-CG1 4.04Å
174N55Low48.1Very low56 Ų5695.8 Ų95.830%0.29955%0.545SS..PPolyproline II helixtrans-68.3166.3173.3-62.9-50.6000110.9D176 G177 T178 L180N174-D176 WeakPolarHBondContact CB-OD1 3.42Å; N174-D176 PolarHBondContact O-N 3.44Å; N174-D176 VanDerWaalsContact O-N 3.08Å; N174-G177 PolarHBondContact O-N 3.34Å; N174-T178 WeakPolarHBondContact CB-OG1 3.48Å; N174-T178 PolarHBondContact N-O 2.84Å; N174-T178 PolarHBondContact ND2-O 3.24Å; N174-T178 PolarHBondContact ND2-OG1 2.95Å; N174-L180 WeakPolarHBondContact ND2-CD2 3.48Å; N174-L180 WeakPolarHBondContact OD1-CD1 2.9Å; N174-L180 WeakPolarHBondContact OD1-CD2 3.38Å; N174-L180 WeakPolarHBondContact OD1-CG 3.28Å
175A58.5Low47.4Very low120 Ų12094.7 Ų94.799%0.99255%0.548SS*.THydrogen-bonded Turntrans-58.5-20.5177.800000113.8
176D60.2Low46.8Very low116 Ų11696.7 Ų96.762%0.6255%0.55SS**THydrogen-bonded Turntrans-91.89.3175.255.1-54.6000113.8N174 T178N174-D176 WeakPolarHBondContact CB-OD1 3.42Å; N174-D176 PolarHBondContact O-N 3.44Å; N174-D176 VanDerWaalsContact O-N 3.08Å; D176-T178 VanDerWaalsContact CG-OG1 3.25Å; D176-T178 PolarHBondContact O-N 3.48Å; D176-T178 PolarHBondContact OD1-OG1 3.01Å; D176-T178 VanDerWaalsContact OD2-CG2 3.28Å; D176-T178 WeakPolarHBondContact OD2-CG2 3.38Å; D176-T178 PolarHBondContact OD2-OG1 2.92Å
177G54Low46.5Very low56 Ų5697.9 Ų97.958%0.57757%0.565SS**SBendtrans75.22.517800000114.6N174N174-G177 PolarHBondContact O-N 3.34Å
178T53.6Low46Very low66 Ų6699.3 Ų99.341%0.40558%0.578SS.*  trans-75.4127.6173.350.50000110.2V173 N174 D176 L180V173-T178 CarbonylContact C-O 3.57Å; V173-T178 WeakPolarHBondContact CA-O 3.09Å; N174-T178 WeakPolarHBondContact CB-OG1 3.48Å; N174-T178 PolarHBondContact N-O 2.84Å; N174-T178 PolarHBondContact ND2-O 3.24Å; N174-T178 PolarHBondContact ND2-OG1 2.95Å; D176-T178 VanDerWaalsContact CG-OG1 3.25Å; D176-T178 PolarHBondContact O-N 3.48Å; D176-T178 PolarHBondContact OD1-OG1 3.01Å; D176-T178 VanDerWaalsContact OD2-CG2 3.28Å; D176-T178 WeakPolarHBondContact OD2-CG2 3.38Å; D176-T178 PolarHBondContact OD2-OG1 2.92Å; T178-L180 PolarHBondContact O-N 3.27Å
179I48.7Very low45.5Very low92 Ų9299 Ų9947%0.47259%0.591SS.*BIsolated β-bridgetrans-65.8125.5174-53.9-116.5000107.5V173 Q181V173-I179 HydrophobicContact CG1-CD1 3.89Å; V173-I179 HydrophobicContact CG1-CG1 4.04Å; I179-Q181 VanDerWaalsContact C-N 3.31Å; I179-Q181 PolarHBondContact O-N 3.07Å
180L44.1Very low44.6Very low90 Ų90104.6 Ų104.647%0.47162%0.615SS.*  trans-66.197.3168.6-78.2172.4000107.9P172 N174 T178 Q182P172-L180 HydrophobicContact CB-CD1 4.46Å; P172-L180 PolarHBondContact O-N 2.76Å; N174-L180 WeakPolarHBondContact ND2-CD2 3.48Å; N174-L180 WeakPolarHBondContact OD1-CD1 2.9Å; N174-L180 WeakPolarHBondContact OD1-CD2 3.38Å; N174-L180 WeakPolarHBondContact OD1-CG 3.28Å; T178-L180 PolarHBondContact O-N 3.27Å; L180-Q182 PolarHBondContact O-N 3.21Å
181Q40.3Very low44.3Very low166 Ų166104.7 Ų104.778%0.77662%0.624SS**  trans-72.382.7175.5-162.915598.800108.2I179 V183I179-Q181 VanDerWaalsContact C-N 3.31Å; I179-Q181 PolarHBondContact O-N 3.07Å; Q181-V183 PolarHBondContact O-N 3.48Å
182Q35.4Very low43.5Very low101 Ų101103.9 Ų103.947%0.47263%0.627SS.*  trans-69.2103169.7-171.9174.7-10.600107.7L180 T184L180-Q182 PolarHBondContact O-N 3.21Å; Q182-T184 PolarHBondContact O-N 3.38Å
183V30.6Very low43.1Very low119 Ų119105.7 Ų105.772%0.72163%0.631SS**  trans-66.983.8165.6179.80000107.2Q181 V185Q181-V183 PolarHBondContact O-N 3.48Å; V183-V185 PolarHBondContact O-N 3.03Å
184T34.9Very low42.8Very low89 Ų89106.2 Ų106.255%0.54664%0.637SS.*  trans-82.2107.5167.4-60.50000107Q182 P186Q182-T184 PolarHBondContact O-N 3.38Å; T184-P186 WeakPolarHBondContact O-CD 3.48Å
185V31Very low42.4Very low115 Ų115108.3 Ų108.370%0.69766%0.661SS**  trans-78.9108.9175.9-138.50000108V183 V187V183-V185 PolarHBondContact O-N 3.03Å; V185-V187 PolarHBondContact O-N 2.84Å
186P39.8Very low42Very low99 Ų99107.4 Ų107.464%0.64365%0.654SS**  trans-74.4121.616329.9-31.5000108.1T184 S188T184-P186 WeakPolarHBondContact O-CD 3.48Å; P186-S188 PolarHBondContact O-N 3.37Å
187V37.1Very low41.6Very low142 Ų142106 Ų10686%0.86165%0.654SS**SBendtrans-58.8110.2162.6179.10000106.5V185V185-V187 PolarHBondContact O-N 2.84Å
188S39.4Very low41.2Very low109 Ų109109.6 Ų109.676%0.76266%0.659SS**SBendtrans103.3108.2176.9-47.20000116.5P186P186-S188 PolarHBondContact O-N 3.37Å
189G37.4Very low40.6Very low58 Ų58111.3 Ų111.360%0.59868%0.68SS**SBendtrans103.5103.3146.500000117.4
190M33.9Very low40.1Very low183 Ų183111 Ų11190%0.90170%0.699SS**  trans58.3108.1164.27.6-74.1-171.300118.1
191I40.5Very low39.8Very low144 Ų144111 Ų11174%0.73871%0.712SS**  trans-90.5122168.4-67.4169.4000108.8I193I191-I193 HydrophobicContact CG2-CD1 3.95Å; I191-I193 HydrophobicContact CG2-CG1 3.7Å
192T36.5Very low39.5Very low100 Ų100111.9 Ų111.961%0.61372%0.716SS**  trans-116.5109.8166.7-58.10000108.3
193I39.6Very low39.6Very low115 Ų115114 Ų11459%0.5973%0.729SS**  trans-96123.9176.2-62.4165.4000108.5I191 L198I191-I193 HydrophobicContact CG2-CD1 3.95Å; I191-I193 HydrophobicContact CG2-CG1 3.7Å; I193-L198 HydrophobicContact CG2-CD1 4.36Å
194P49.5Very low39.8Very low95 Ų95114.2 Ų114.262%0.61773%0.73SS**  trans-68.5134.2169-5.118.2000110.7A196P194-A196 PolarHBondContact O-N 2.77Å
195A45.6Very low39.7Very low99 Ų99118.6 Ų118.682%0.81875%0.745SS**G310 helixtrans-66.4-1-171.200000116.4S197A195-S197 VanDerWaalsContact C-N 3.3Å; A195-S197 PolarHBondContact O-N 3.46Å
196A51Low39.7Very low101 Ų101119.7 Ų119.784%0.83575%0.752SS**G310 helixtrans-80.2-7-178.300000114.2P194P194-A196 PolarHBondContact O-N 2.77Å
197S50.1Low39.4Very low88 Ų88118.8 Ų118.862%0.61576%0.76SS**G310 helixtrans-105.55.3-174-48.60000114.9A195 A199A195-S197 VanDerWaalsContact C-N 3.3Å; A195-S197 PolarHBondContact O-N 3.46Å; S197-A199 PolarHBondContact O-N 2.91Å
198L47.1Very low39.5Very low131 Ų131116.4 Ų116.469%0.68676%0.755SS**  trans-100.461.2-179.9-102.180.3000111.7I193I193-L198 HydrophobicContact CG2-CD1 4.36Å
199A40.1Very low39.4Very low102 Ų102119.2 Ų119.284%0.84376%0.762SS**SBendtrans-114.899.7164.200000108.2S197S197-A199 PolarHBondContact O-N 2.91Å
200G38.3Very low39.5Very low84 Ų84122.1 Ų122.187%0.86677%0.768SS**SBendtrans127.63.5161.100000119.7
201A37.2Very low39.9Very low92 Ų92121.2 Ų121.276%0.7677%0.767SS**  trans-121.6113.8178.900000113.2I203A201-I203 PolarHBondContact O-N 3.14Å
202Q35Very low39.7Very low184 Ų184120.2 Ų120.286%0.8677%0.768SS**  trans-61.9117.5172.6-177.6177.5-0.800110.7
203I36.9Very low40Very low145 Ų145122.2 Ų122.274%0.74478%0.78SS**  trans-90.8114.5173.2-52176.7000107.9A201A201-I203 PolarHBondContact O-N 3.14Å
204V35Very low40Very low123 Ų123122.6 Ų122.675%0.74579%0.793SS**  trans-76.5123.9170172.30000108.9
205Q32.6Very low39.4Very low182 Ų182123.4 Ų123.485%0.8580%0.801SS**  trans-85.4128.7-177.4-120.3171.5-54.100111
206T31.5Very low39.2Very low138 Ų138122.2 Ų122.285%0.84780%0.799SS**  trans-136.6109.915552.70000110.4
207G33.7Very low38.6Very low79 Ų79127.3 Ų127.381%0.81481%0.805SS**  trans24.5111.7159.400000121.7
208A38.7Very low38Very low92 Ų92126.1 Ų126.176%0.7681%0.807SS**  173.9122114.300000109.5T210A208-T210 PolarHBondContact O-N 3.07Å
209N38.3Very low37.4Very low169 Ų169125.6 Ų125.690%0.90481%0.809SS**  trans4.8103.3166.6-58.1-13.5000118.3
210T38.4Very low37.4Very low118 Ų118126 Ų12672%0.72480%0.801SS**  trans-135.7113.6159.5-52.10000110A208 T212A208-T210 PolarHBondContact O-N 3.07Å; T210-T212 PolarHBondContact O-N 3.46Å
211N42.2Very low37.3Very low164 Ų164127.4 Ų127.488%0.87779%0.793SS**  trans-71123169.9-78.10.4000109.2
212T36.6Very low37.6Very low123 Ų123128.4 Ų128.476%0.75579%0.789SS**  trans-115.4112.2173.2-4.90000108.4T210T210-T212 PolarHBondContact O-N 3.46Å
213T41.9Very low37.8Very low143 Ų143125.6 Ų125.688%0.87779%0.785SS**  trans-95.5111.8169.726.40000109.3
214S39.4Very low38.3Very low123 Ų123125.5 Ų125.586%0.8679%0.785SS**  trans-78.2119.3172.558.30000110.2
215S37.9Very low39.2Very low111 Ų111125.5 Ų125.578%0.77679%0.788SS**  trans-126.4133156.358.70000108.1
216G41.4Very low39.9Very low75 Ų75123.6 Ų123.677%0.77379%0.788SS**SBendtrans-61.5145.7-168.800000113
217Q37.7Very low40.4Very low207 Ų207122.1 Ų122.197%0.96779%0.79SS**SBendtrans69.985.1177-56.6-178.71.800115.3
218G37.3Very low41Very low64 Ų64121.1 Ų121.166%0.6678%0.78SS**SBendtrans156.2135.9164.100000113.4
219T36.5Very low41.2Very low119 Ų119124 Ų12473%0.7378%0.783SS**  trans-24.6130.6171.245.80000116.1
220V38.4Very low41.3Very low110 Ų110123.1 Ų123.167%0.66778%0.783SS**  trans-81118.7171.3-175.60000109.1V222V220-V222 HydrophobicContact CG1-CG2 4.05Å
221T36.3Very low41.6Very low115 Ų115123.4 Ų123.471%0.70678%0.784SS**  trans-98.7115.7170.5-46.90000108.2
222V44.3Very low41.6Very low112 Ų112122.5 Ų122.568%0.67978%0.779SS**  trans-100.1107.4172-175.10000108.1V220 L224V220-V222 HydrophobicContact CG1-CG2 4.05Å; V222-L224 HydrophobicContact CG1-CD1 3.99Å
223T38.8Very low42.1Very low126 Ų126122.2 Ų122.277%0.77378%0.782SS**  trans-96.6112.8171.580000109
224L47.4Very low42.2Very low143 Ų143118.5 Ų118.575%0.74977%0.773SS**  trans-85.3137.1165.8-76.288.7000109.4V222 V226V222-L224 HydrophobicContact CG1-CD1 3.99Å; L224-V226 PolarHBondContact O-N 2.78Å
225P53.7Low42.1Very low123 Ų123116.3 Ų116.380%0.79977%0.769SS**  trans-72.9117.2169.429-31.3000110A227P225-A227 PolarHBondContact O-N 3.01Å
226V48.6Very low42.6Very low141 Ų141119.4 Ų119.486%0.85577%0.774SS**  trans-75.5108.2162.4146.10000107.6L224L224-V226 PolarHBondContact O-N 2.78Å
227A42Very low42.4Very low107 Ų107122.8 Ų122.888%0.88478%0.779SS**  trans-75.2115.6164.300000108.1P225P225-A227 PolarHBondContact O-N 3.01Å
228G44.8Very low42.7Very low59 Ų59121.3 Ų121.361%0.60877%0.774SS**  trans-169.288-179.900000112.1
229N43.5Very low43.3Very low153 Ų153127.1 Ų127.182%0.81879%0.787SS**  trans53.485155.4-65.327.8000118.6
230V40Very low43.9Very low150 Ų150127.8 Ų127.891%0.90979%0.79SS**  trans-90.1109.4149.8-81.30000109.2
231V44.8Very low44.4Very low124 Ų124128.3 Ų128.375%0.75280%0.796SS**  trans-111.489.6166.1-165.50000104.9
232N43.2Very low44.8Very low144 Ų144126.7 Ų126.777%0.7780%0.802SS**  34.4102.4103.9-167.78.3000114.1
233S46.4Very low44.8Very low117 Ų117126.6 Ų126.682%0.81881%0.813SS**  -173.9123127.314.20000112.3
234G44.1Very low44.8Very low66 Ų66123.7 Ų123.768%0.6881%0.808SS**  trans94.976134.500000117.2M236G234-M236 PolarHBondContact O-N 3.27Å
235G36.2Very low44.8Very low76 Ų76122.3 Ų122.378%0.78481%0.81SS**  trans-65.4116.6147.500000109.4
236M49.4Very low44.6Very low176 Ų176123.2 Ų123.287%0.86781%0.813SS**  trans-121.4105.7166.4-63.2-63-77.600107.6G234G234-M236 PolarHBondContact O-N 3.27Å
237V38Very low44.4Very low146 Ų146122.1 Ų122.189%0.88581%0.809SS**  trans-92117.7169.9-1650000106.1
238M43.3Very low44.8Very low176 Ų176121.2 Ų121.287%0.86780%0.801SS**  trans-150.1108.5164.2-165.1167.1-85.200113
239M49Very low45.1Very low187 Ų187125 Ų12592%0.92181%0.807SS**  trans31.2137.6146.6-77.9179166.700124.7
240V50.5Low45.5Very low133 Ų133126 Ų12681%0.80681%0.806SS**  trans-88.6177.9175.3171.70000110.6
241P48Very low46.1Very low121 Ų121129.1 Ų129.179%0.78680%0.802SS**  cis-122.6155.9-29.527.9-10.3000113.4
242G45.7Very low46.9Very low80 Ų80129.6 Ų129.683%0.82580%0.798SS**  trans-131.8128.1171.200000112
243A42.7Very low47.6Very low110 Ų110128.2 Ų128.291%0.90980%0.798SS**  trans-70.8149.6-173.900000114
244G40.6Very low48Very low66 Ų66128.7 Ų128.768%0.6879%0.79SS**  trans101.3132.9156.200000115.4
245S47Very low48.2Very low114 Ų114132.1 Ų132.180%0.79780%0.8SS**  trans70.7105.1169.764.30000117.2
246V48.5Very low48.8Very low142 Ų142131.7 Ų131.786%0.86180%0.796SS**  trans-21.4112.5153.4-93.10000113.1A248V246-A248 PolarHBondContact O-N 3.11Å
247P45.6Very low48.5Very low118 Ų118125.2 Ų125.277%0.76677%0.77SS**  trans-78.6111.9165.229.4-24.1000107I249P247-I249 PolarHBondContact O-N 3.49Å; P247-I249 VanDerWaalsContact O-N 3.14Å
248A49.3Very low49Very low87 Ų87127.9 Ų127.972%0.71977%0.773SS**  trans-47.2121.7159.900000107.9V246 Q250V246-A248 PolarHBondContact O-N 3.11Å; A248-Q250 PolarHBondContact O-N 3.05Å
249I51.3Low49.1Very low140 Ų140126.1 Ų126.172%0.71876%0.764SS**  trans-65.288.8176.9-63.4173.9000107.3P247 R251P247-I249 PolarHBondContact O-N 3.49Å; P247-I249 VanDerWaalsContact O-N 3.14Å; I249-R251 VanDerWaalsContact C-N 3.3Å; I249-R251 HydrophobicContact CG2-CG 3.63Å; I249-R251 PolarHBondContact O-N 2.96Å
250Q51.6Low49.1Very low173 Ų173123.4 Ų123.481%0.80875%0.753SS**  trans-72.492.2161.9-74-132.567.100106.8A248 I252A248-Q250 PolarHBondContact O-N 3.05Å; Q250-I252 VanDerWaalsContact C-N 3.28Å; Q250-I252 PolarHBondContact O-N 3.46Å
251R53.9Low49.1Very low216 Ų216125.4 Ų125.482%0.81575%0.754SS**  trans-67.193169.1-61-170.3-166.2-121.60.6107.5I249 P253I249-R251 VanDerWaalsContact C-N 3.3Å; I249-R251 HydrophobicContact CG2-CG 3.63Å; I249-R251 PolarHBondContact O-N 2.96Å; R251-P253 WeakPolarHBondContact O-CD 3.41Å
252I60.1Low49.6Very low133 Ų133125.3 Ų125.368%0.68274%0.743SS**  trans-58121.6166.7-61.2137000106.7Q250 L254Q250-I252 VanDerWaalsContact C-N 3.28Å; Q250-I252 PolarHBondContact O-N 3.46Å; I252-L254 PolarHBondContact O-N 3.38Å
253P58.5Low50.2Low116 Ų116129.8 Ų129.875%0.75374%0.742SS**  trans-65.2106.8173.4-17.130.6000108.2R251 P255R251-P253 WeakPolarHBondContact O-CD 3.41Å; P253-P255 VanDerWaalsContact O-CD 3.24Å; P253-P255 WeakPolarHBondContact O-CD 3.5Å
254L55.7Low51.4Low126 Ų126129.2 Ų129.266%0.6673%0.729SS**  trans-63.7116.5172.5-100.273.1000108.8I252 G256 A257I252-L254 PolarHBondContact O-N 3.38Å; L254-G256 VanDerWaalsContact C-N 3.31Å; L254-G256 PolarHBondContact O-N 2.89Å; L254-A257 HydrophobicContact CB-CB 4.01Å; L254-A257 PolarHBondContact O-N 3Å
255P46.9Very low53Low138 Ų138132.1 Ų132.190%0.89673%0.729SS**THydrogen-bonded Turntrans-75.189.6170.831.3-28.2000107.4P253P253-P255 VanDerWaalsContact O-CD 3.24Å; P253-P255 WeakPolarHBondContact O-CD 3.5Å
256G49.7Very low54.9Low67 Ų67137.4 Ų137.469%0.69173%0.733SS**THydrogen-bonded Turntrans149.1-4.7-17800000115.6L254 E258L254-G256 VanDerWaalsContact C-N 3.31Å; L254-G256 PolarHBondContact O-N 2.89Å; G256-E258 VanDerWaalsContact C-N 3.33Å; G256-E258 PolarHBondContact O-N 3.34Å
257A43.4Very low57Low40 Ų40132.7 Ų132.733%0.33170%0.704SS.*G310 helixtrans-78.21.3-174.800000116.1L254 M259 L260L254-A257 HydrophobicContact CB-CB 4.01Å; L254-A257 PolarHBondContact O-N 3Å; A257-M259 VanDerWaalsContact C-N 3.28Å; A257-M259 PolarHBondContact O-N 3.45Å; A257-L260 HydrophobicContact CB-CD1 3.83Å; A257-L260 WeakPolarHBondContact O-CB 3.41Å; A257-L260 PolarHBondContact O-N 2.99Å
258E47.8Very low59.2Low202 Ų202131.4 Ų131.494%0.94469%0.69SS**G310 helixtrans-81.9-3.4178-78.3-124.2141.700114.1G256G256-E258 VanDerWaalsContact C-N 3.33Å; G256-E258 PolarHBondContact O-N 3.34Å
259M46.3Very low61.2Low139 Ų139131.2 Ų131.269%0.68569%0.689SS**G310 helixtrans-100.39.4168.3-83.6-102.655.700113A257 E261A257-M259 VanDerWaalsContact C-N 3.28Å; A257-M259 PolarHBondContact O-N 3.45Å; M259-E261 VanDerWaalsContact C-N 3.27Å; M259-E261 PolarHBondContact O-N 2.93Å
260L48.1Very low63.3Low130 Ų130133.7 Ų133.768%0.68170%0.695SS**  trans-65.390.1174.1-91.3163.2000109.8A257 E262A257-L260 HydrophobicContact CB-CD1 3.83Å; A257-L260 WeakPolarHBondContact O-CB 3.41Å; A257-L260 PolarHBondContact O-N 2.99Å; L260-E262 PolarHBondContact O-N 2.68Å
261E50.7Low65.4Low176 Ų176130.5 Ų130.582%0.82268%0.68SS**  trans16.681.1136.6-63.4-179.7169.800113M259 E263M259-E261 VanDerWaalsContact C-N 3.27Å; M259-E261 PolarHBondContact O-N 2.93Å; E261-E263 PolarHBondContact O-N 3.42Å
262E57.7Low67.3Low119 Ų119124.5 Ų124.556%0.55666%0.658SS**  trans-52.8116.2160.4-173178.6176.900105.7L260 R279L260-E262 PolarHBondContact O-N 2.68Å; E262-R279 IonicContact OE1-CZ 3.36Å; E262-R279 IonicContact OE1-NH1 2.77Å; E262-R279 PolarHBondContact OE1-NH1 3.19Å; E262-R279 IonicContact OE1-NH2 3.47Å; E262-R279 PolarHBondContact OE1-NH2 3.17Å; E262-R279 IonicContact OE2-CZ 3.21Å; E262-R279 IonicContact OE2-NE 3.61Å; E262-R279 IonicContact OE2-NH1 2.68Å; E262-R279 PolarHBondContact OE2-NH1 2.85Å; E262-R279 IonicContact OE2-NH2 3.98Å
263E57.9Low68.9Low174 Ų174124.8 Ų124.881%0.81366%0.656SS**  trans-40.2126.2-178.1-168.7175.2-169.100108.8E261 L265E261-E263 PolarHBondContact O-N 3.42Å; E263-L265 VanDerWaalsContact C-N 3.27Å; E263-L265 PolarHBondContact O-N 2.98Å
264P69.2Low70.6Confident98 Ų98127.8 Ų127.864%0.63665%0.652SS**  trans-6790.4-167.725-32.8000109.9Y266P264-Y266 PolarHBondContact O-N 3.3Å
265L73.1Confident72.4Confident127 Ų127123.6 Ų123.667%0.66563%0.63SS**  trans-58.7123.5167.4-17765.5000106.4E263 V267E263-L265 VanDerWaalsContact C-N 3.27Å; E263-L265 PolarHBondContact O-N 2.98Å; L265-V267 PolarHBondContact O-N 3.16Å
266Y88Confident74.6Confident225 Ų225120.2 Ų120.288%0.88260%0.604SS**  trans-62.1103180-173.9-99.3000109.5P264P264-Y266 PolarHBondContact O-N 3.3Å
267V91.4Very high76.8Confident42 Ų42124.4 Ų124.426%0.25560%0.603SS.*  trans-110.1170.9176.1-65.20000109.8L265 A269 Y272 I275L265-V267 PolarHBondContact O-N 3.16Å; V267-A269 PolarHBondContact O-N 3.03Å; V267-Y272 HydrophobicContact CG2-CD2 3.74Å; V267-Y272 HydrophobicContact CG2-CG 4.39Å; V267-I275 HydrophobicContact CB-CD1 4.2Å; V267-I275 HydrophobicContact CG1-CD1 4.34Å; V267-I275 HydrophobicContact CG2-CD1 4.12Å
268N93.2Very high79.3Confident91 Ų91130.3 Ų130.349%0.48762%0.617SS.*  trans-56.5125.3175.1-173.2-44.1000111.3K270 Q271 Y272N268-K270 PolarHBondContact O-N 3.44Å; N268-K270 VanDerWaalsContact O-N 3.12Å; N268-K270 WeakPolarHBondContact OD1-CB 3.12Å; N268-K270 PolarHBondContact OD1-N 3.23Å; N268-Q271 HydrophobicContact CB-CB 4.48Å; N268-Q271 HydrophobicContact CB-CG 4.26Å; N268-Q271 PolarHBondContact O-N 3.04Å; N268-Y272 PolarHBondContact O-N 3.41Å
269A90.6Very high81.5Confident84 Ų84125 Ų12569%0.69459%0.589SS**THydrogen-bonded Turntrans-53.4-35.1-178.400000113.4V267 Q271V267-A269 PolarHBondContact O-N 3.03Å; A269-Q271 PolarHBondContact O-N 3.42Å
270K95.3Very high83.7Confident192 Ų192123.8 Ų123.884%0.83558%0.581SS**THydrogen-bonded Turntrans-69.4-19178.7-63.2-171177.4-1770113.4N268N268-K270 PolarHBondContact O-N 3.44Å; N268-K270 VanDerWaalsContact O-N 3.12Å; N268-K270 WeakPolarHBondContact OD1-CB 3.12Å; N268-K270 PolarHBondContact OD1-N 3.23Å
271Q96Very high85.9Confident106 Ų106120.2 Ų120.250%0.49557%0.57SS.*THydrogen-bonded Turntrans-108.7-24-171.8-58.6-172.715.100113.7N268 A269 H273 R274 I275N268-Q271 HydrophobicContact CB-CB 4.48Å; N268-Q271 HydrophobicContact CB-CG 4.26Å; N268-Q271 PolarHBondContact O-N 3.04Å; A269-Q271 PolarHBondContact O-N 3.42Å; Q271-H273 PolarHBondContact O-N 3.05Å; Q271-R274 CarbonylContact O-C 3.59Å; Q271-R274 WeakPolarHBondContact O-CA 3.4Å; Q271-R274 WeakPolarHBondContact O-CB 3.11Å; Q271-R274 PolarHBondContact O-N 3.46Å; Q271-I275 HydrophobicContact CB-CD1 3.84Å; Q271-I275 HydrophobicContact CB-CG1 4.23Å; Q271-I275 PolarHBondContact O-N 2.76Å
272Y93.2Very high87.9Confident90 Ų90117.3 Ų117.335%0.35355%0.552SS.*Hα-helixtrans-41.5-60.5-171.7177.6-107.5000114.2V267 N268 R274 I275 L276V267-Y272 HydrophobicContact CG2-CD2 3.74Å; V267-Y272 HydrophobicContact CG2-CG 4.39Å; N268-Y272 PolarHBondContact O-N 3.41Å; Y272-R274 VanDerWaalsContact C-N 3.27Å; Y272-R274 PolarHBondContact O-N 3.28Å; Y272-I275 WeakPolarHBondContact O-CB 3.49Å; Y272-I275 PolarHBondContact O-N 3.44Å; Y272-I275 VanDerWaalsContact O-N 3.13Å; Y272-L276 HydrophobicContact CD1-CD1 4.3Å; Y272-L276 HydrophobicContact CE1-CD1 3.7Å; Y272-L276 HydrophobicContact CE2-CD1 4.23Å; Y272-L276 PolarHBondContact O-N 3.38Å; Y272-L276 VanDerWaalsContact O-N 3.09Å
273H93.4Very high89.5Confident139 Ų139114.3 Ų114.364%0.64455%0.547SS*.Hα-helixtrans-60-35.6-179.6-66.2101.8000113.5Q271 K277Q271-H273 PolarHBondContact O-N 3.05Å; H273-K277 WeakPolarHBondContact O-CG 3.24Å; H273-K277 PolarHBondContact O-N 3.26Å; H273-K277 VanDerWaalsContact O-N 3.17Å
274R95.7Very high91.1Very high178 Ų178112.5 Ų112.567%0.67254%0.537SS*.Hα-helixtrans-75.7-32.1-179.7-167131.662.8178.50.3111.6Q271 Y272 R278Q271-R274 CarbonylContact O-C 3.59Å; Q271-R274 WeakPolarHBondContact O-CA 3.4Å; Q271-R274 WeakPolarHBondContact O-CB 3.11Å; Q271-R274 PolarHBondContact O-N 3.46Å; Y272-R274 VanDerWaalsContact C-N 3.27Å; Y272-R274 PolarHBondContact O-N 3.28Å; R274-R278 WeakPolarHBondContact O-CB 3.44Å; R274-R278 WeakPolarHBondContact O-CG 3.47Å; R274-R278 PolarHBondContact O-N 3.07Å
275I94Very high92.1Very high39 Ų39111 Ų11120%0.252%0.523CS..Hα-helixtrans-62.9-48.4171.7-68.4166.8000109.6V267 Q271 Y272 K277 R278 R279V267-I275 HydrophobicContact CB-CD1 4.2Å; V267-I275 HydrophobicContact CG1-CD1 4.34Å; V267-I275 HydrophobicContact CG2-CD1 4.12Å; Q271-I275 HydrophobicContact CB-CD1 3.84Å; Q271-I275 HydrophobicContact CB-CG1 4.23Å; Q271-I275 PolarHBondContact O-N 2.76Å; Y272-I275 WeakPolarHBondContact O-CB 3.49Å; Y272-I275 PolarHBondContact O-N 3.44Å; Y272-I275 VanDerWaalsContact O-N 3.13Å; I275-K277 PolarHBondContact O-N 3.48Å; I275-R278 PolarHBondContact O-N 2.81Å; I275-R278 VanDerWaalsContact O-N 3.16Å; I275-R279 HydrophobicContact CG2-CG 4.33Å; I275-R279 WeakPolarHBondContact O-CG 3.46Å; I275-R279 PolarHBondContact O-N 3.21Å
276L92.1Very high92.8Very high67 Ų67110.6 Ų110.635%0.35152%0.518SS..Hα-helixtrans-56.6-49.2177.9-68178.4000111.9Y272 R278 R279 Q280Y272-L276 HydrophobicContact CD1-CD1 4.3Å; Y272-L276 HydrophobicContact CE1-CD1 3.7Å; Y272-L276 HydrophobicContact CE2-CD1 4.23Å; Y272-L276 PolarHBondContact O-N 3.38Å; Y272-L276 VanDerWaalsContact O-N 3.09Å; L276-R278 VanDerWaalsContact C-N 3.33Å; L276-R278 PolarHBondContact O-N 3.34Å; L276-R279 WeakPolarHBondContact O-CB 3.43Å; L276-R279 PolarHBondContact O-N 3.38Å; L276-Q280 PolarHBondContact O-N 3.45Å; L276-Q280 VanDerWaalsContact O-N 3.07Å
277K95.1Very high92.7Very high154 Ų154104.3 Ų104.367%0.6751%0.512SS*.Hα-helixtrans-59.1-40.9176.4-72.1-175.1177.6-172.10112.8H273 I275 A281H273-K277 WeakPolarHBondContact O-CG 3.24Å; H273-K277 PolarHBondContact O-N 3.26Å; H273-K277 VanDerWaalsContact O-N 3.17Å; I275-K277 PolarHBondContact O-N 3.48Å; K277-A281 WeakPolarHBondContact O-CB 3.41Å; K277-A281 PolarHBondContact O-N 3.34Å
278R96.1Very high92.5Very high164 Ų164106.6 Ų106.662%0.61952%0.52SS*.Hα-helixtrans-70.2-34.2177.7-75.8-176176.6-155.2-0.6112.6R274 I275 L276 A281 R282R274-R278 WeakPolarHBondContact O-CB 3.44Å; R274-R278 WeakPolarHBondContact O-CG 3.47Å; R274-R278 PolarHBondContact O-N 3.07Å; I275-R278 PolarHBondContact O-N 2.81Å; I275-R278 VanDerWaalsContact O-N 3.16Å; L276-R278 VanDerWaalsContact C-N 3.33Å; L276-R278 PolarHBondContact O-N 3.34Å; R278-A281 PolarHBondContact O-N 3.25Å; R278-R282 WeakPolarHBondContact O-CB 3.35Å; R278-R282 WeakPolarHBondContact O-CG 3.36Å; R278-R282 PolarHBondContact O-N 3.11Å
279R93.9Very high92.1Very high92 Ų92105 Ų10535%0.34753%0.525SS..Hα-helixtrans-62.2-48.3173.8-74.5176.3-177.9-100.75.8110.6E262 I275 L276 A281 R282 A283E262-R279 IonicContact OE1-CZ 3.36Å; E262-R279 IonicContact OE1-NH1 2.77Å; E262-R279 PolarHBondContact OE1-NH1 3.19Å; E262-R279 IonicContact OE1-NH2 3.47Å; E262-R279 PolarHBondContact OE1-NH2 3.17Å; E262-R279 IonicContact OE2-CZ 3.21Å; E262-R279 IonicContact OE2-NE 3.61Å; E262-R279 IonicContact OE2-NH1 2.68Å; E262-R279 PolarHBondContact OE2-NH1 2.85Å; E262-R279 IonicContact OE2-NH2 3.98Å; I275-R279 HydrophobicContact CG2-CG 4.33Å; I275-R279 WeakPolarHBondContact O-CG 3.46Å; I275-R279 PolarHBondContact O-N 3.21Å; L276-R279 WeakPolarHBondContact O-CB 3.43Å; L276-R279 PolarHBondContact O-N 3.38Å; R279-A281 VanDerWaalsContact C-N 3.35Å; R279-A281 PolarHBondContact O-N 3.43Å; R279-R282 PolarHBondContact O-N 3.49Å; R279-A283 WeakPolarHBondContact O-CB 3.26Å; R279-A283 PolarHBondContact O-N 3.43Å
280Q93.6Very high91.6Very high113 Ų113107.6 Ų107.653%0.52852%0.521SS..Hα-helixtrans-58.6-44.8174.4-68.5174.1-13.100112L276 R282 A283 K284L276-Q280 PolarHBondContact O-N 3.45Å; L276-Q280 VanDerWaalsContact O-N 3.07Å; Q280-R282 PolarHBondContact O-N 3.43Å; Q280-A283 PolarHBondContact O-N 3.21Å; Q280-K284 PolarHBondContact O-N 2.77Å
281A93Very high90.9Very high55 Ų55101.9 Ų101.946%0.45550%0.499SS..Hα-helixtrans-63.7-40.2177.400000112.9K277 R278 R279 L285K277-A281 WeakPolarHBondContact O-CB 3.41Å; K277-A281 PolarHBondContact O-N 3.34Å; R278-A281 PolarHBondContact O-N 3.25Å; R279-A281 VanDerWaalsContact C-N 3.35Å; R279-A281 PolarHBondContact O-N 3.43Å; A281-L285 WeakPolarHBondContact O-CG 3.38Å; A281-L285 PolarHBondContact O-N 3.08Å; A281-L285 VanDerWaalsContact O-N 3.11Å
282R93.9Very high90.4Very high115 Ų115101.8 Ų101.843%0.43451%0.507SS..Hα-helixtrans-67.1-44.9174.4-77.4-169.3-63.7-123.32.3111.8R278 R279 Q280 K284 L285 E286R278-R282 WeakPolarHBondContact O-CB 3.35Å; R278-R282 WeakPolarHBondContact O-CG 3.36Å; R278-R282 PolarHBondContact O-N 3.11Å; R279-R282 PolarHBondContact O-N 3.49Å; Q280-R282 PolarHBondContact O-N 3.43Å; R282-K284 PolarHBondContact O-N 3.22Å; R282-L285 CarbonylContact O-C 3.57Å; R282-L285 PolarHBondContact O-N 3.16Å; R282-E286 WeakPolarHBondContact O-CB 3.35Å; R282-E286 WeakPolarHBondContact O-CG 3.43Å; R282-E286 PolarHBondContact O-N 3.25Å
283A90.3Very high90Very high55 Ų55107.6 Ų107.646%0.45553%0.534SS..Hα-helixtrans-55.5-42176.700000111.2R279 Q280 E286 A287R279-A283 WeakPolarHBondContact O-CB 3.26Å; R279-A283 PolarHBondContact O-N 3.43Å; Q280-A283 PolarHBondContact O-N 3.21Å; A283-E286 PolarHBondContact O-N 3.48Å; A283-A287 WeakPolarHBondContact O-CB 3.4Å; A283-A287 PolarHBondContact O-N 2.77Å
284K92.1Very high89.8Confident137 Ų137109 Ų10960%0.59654%0.541SS*.Hα-helixtrans-62-46.4173-171.1177.9179.6179.80112.8Q280 R282 A287 E288Q280-K284 PolarHBondContact O-N 2.77Å; R282-K284 PolarHBondContact O-N 3.22Å; K284-A287 PolarHBondContact O-N 2.83Å; K284-E288 VanDerWaalsContact CE-OE1 3.29Å; K284-E288 WeakPolarHBondContact CE-OE1 3.29Å; K284-E288 WeakPolarHBondContact O-CG 3.13Å; K284-E288 PolarHBondContact O-N 3Å
285L90Very high89.7Confident66 Ų66112.1 Ų112.135%0.34655%0.553SS.*Hα-helixtrans-69.2-31179.2-70.8173.8000113.5A281 R282 G289 K290 I291A281-L285 WeakPolarHBondContact O-CG 3.38Å; A281-L285 PolarHBondContact O-N 3.08Å; A281-L285 VanDerWaalsContact O-N 3.11Å; R282-L285 CarbonylContact O-C 3.57Å; R282-L285 PolarHBondContact O-N 3.16Å; L285-G289 PolarHBondContact O-N 2.98Å; L285-G289 VanDerWaalsContact O-N 3.16Å; L285-K290 HydrophobicContact CD2-CB 4.28Å; L285-K290 HydrophobicContact CD2-CD 3.7Å; L285-K290 PolarHBondContact O-N 2.93Å; L285-I291 HydrophobicContact CB-CD1 3.85Å; L285-I291 HydrophobicContact CB-CG1 4.21Å; L285-I291 HydrophobicContact CD1-CD1 4.47Å
286E88.6Confident89.7Confident119 Ų119119.4 Ų119.456%0.55658%0.578SS**Hα-helixtrans-70.9-41.1174.2-73.1175.1-16200111.1R282 A283 E288 G289 I291R282-E286 WeakPolarHBondContact O-CB 3.35Å; R282-E286 WeakPolarHBondContact O-CG 3.43Å; R282-E286 PolarHBondContact O-N 3.25Å; A283-E286 PolarHBondContact O-N 3.48Å; E286-E288 VanDerWaalsContact C-N 3.33Å; E286-G289 PolarHBondContact O-N 3.48Å; E286-I291 HydrophobicContact CG-CD1 4.12Å
287A85Confident89.9Confident92 Ų92125.9 Ų125.976%0.7660%0.603SS**Hα-helixtrans-64.1-36.4172.800000112.4A283 K284 G289A283-A287 WeakPolarHBondContact O-CB 3.4Å; A283-A287 PolarHBondContact O-N 2.77Å; K284-A287 PolarHBondContact O-N 2.83Å; A287-G289 PolarHBondContact O-N 3.17Å
288E88.8Confident90Very high91 Ų91122.8 Ų122.843%0.42559%0.588SS.*THydrogen-bonded Turntrans-75.4-6.4172.2-69.4175.4-16500113.3K284 E286 K290K284-E288 VanDerWaalsContact CE-OE1 3.29Å; K284-E288 WeakPolarHBondContact CE-OE1 3.29Å; K284-E288 WeakPolarHBondContact O-CG 3.13Å; K284-E288 PolarHBondContact O-N 3Å; E286-E288 VanDerWaalsContact C-N 3.33Å; E288-K290 HydrophobicContact CB-CD 4.29Å; E288-K290 HydrophobicContact CB-CG 4.19Å; E288-K290 PolarHBondContact O-N 2.91Å; E288-K290 WeakPolarHBondContact OE2-CD 3.38Å; E288-K290 WeakPolarHBondContact OE2-CE 3.4Å; E288-K290 IonicContact OE2-NZ 2.68Å; E288-K290 PolarHBondContact OE2-NZ 3.4Å
289G83.9Confident90Very high58 Ų58120.8 Ų120.860%0.59859%0.589SS**THydrogen-bonded Turntrans69.116.1179.600000115L285 E286 A287 I291L285-G289 PolarHBondContact O-N 2.98Å; L285-G289 VanDerWaalsContact O-N 3.16Å; E286-G289 PolarHBondContact O-N 3.48Å; A287-G289 PolarHBondContact O-N 3.17Å; G289-I291 VanDerWaalsContact C-N 3.3Å; G289-I291 PolarHBondContact O-N 3Å
290K79.9Confident90.2Very high137 Ų137120.6 Ų120.660%0.59659%0.592SS**  trans-75.8-15.6-176.3-74178176.3165.30114L285 E288 P292L285-K290 HydrophobicContact CD2-CB 4.28Å; L285-K290 HydrophobicContact CD2-CD 3.7Å; L285-K290 PolarHBondContact O-N 2.93Å; E288-K290 HydrophobicContact CB-CD 4.29Å; E288-K290 HydrophobicContact CB-CG 4.19Å; E288-K290 PolarHBondContact O-N 2.91Å; E288-K290 WeakPolarHBondContact OE2-CD 3.38Å; E288-K290 WeakPolarHBondContact OE2-CE 3.4Å; E288-K290 IonicContact OE2-NZ 2.68Å; E288-K290 PolarHBondContact OE2-NZ 3.4Å; K290-P292 WeakPolarHBondContact O-CD 3.34Å
291I80.3Confident90.5Very high73 Ų73119.6 Ų119.637%0.37459%0.587SS.*SBendtrans-102.8107178.5-62171.9000108.3L285 E286 G289 K293L285-I291 HydrophobicContact CB-CD1 3.85Å; L285-I291 HydrophobicContact CB-CG1 4.21Å; L285-I291 HydrophobicContact CD1-CD1 4.47Å; E286-I291 HydrophobicContact CG-CD1 4.12Å; G289-I291 VanDerWaalsContact C-N 3.3Å; G289-I291 PolarHBondContact O-N 3Å; I291-K293 PolarHBondContact O-N 3.18Å
292P85.6Confident90.7Very high103 Ų103120.5 Ų120.567%0.66959%0.59SS**  trans-61.3122.8174.3-21.933.6000110.3K290 E294K290-P292 WeakPolarHBondContact O-CD 3.34Å; P292-E294 VanDerWaalsContact C-N 3.26Å; P292-E294 PolarHBondContact O-N 3.14Å
293K84.2Confident90.9Very high213 Ų213123.5 Ų123.593%0.92660%0.601SS**SBendtrans-66.4-31.1177.5-63.1-174178.2-174.30112.2I291I291-K293 PolarHBondContact O-N 3.18Å
294E89.7Confident91.3Very high167 Ų167123.3 Ų123.378%0.7859%0.591SS**SBendtrans-124.6150.1-177.8-67.2-176.3-176.800112P292P292-E294 VanDerWaalsContact C-N 3.26Å; P292-E294 PolarHBondContact O-N 3.14Å
295R94Very high91.6Very high245 Ų245124.6 Ų124.693%0.92559%0.592SS**  trans-82.4129.1175.3-175.5175.4174.5154.8-0.4110
296R94.7Very high92Very high191 Ų191126.9 Ų126.972%0.72160%0.601SS**  trans-64145172.9-61.3-178.5178.6166.6-0.2111.3Y298R296-Y298 WeakPolarHBondContact CB-O 3.34Å; R296-Y298 PolarHBondContact O-N 3.47Å
297K96.1Very high92.5Very high203 Ų203122.7 Ų122.788%0.88359%0.586SS**SBendtrans-55.8-37176.1-174.6177.9-178.9178.90112.6
298Y97.5Very high93.1Very high90 Ų90123.8 Ų123.835%0.35358%0.577SS.*  trans-145.9155.5171.451.9-97.8000108.9R296 E301 H304R296-Y298 WeakPolarHBondContact CB-O 3.34Å; R296-Y298 PolarHBondContact O-N 3.47Å; Y298-E301 WeakPolarHBondContact CE2-OE2 3.39Å; Y298-E301 VanDerWaalsContact CZ-OE2 3.28Å; Y298-E301 PolarHBondContact OH-OE2 3.34Å; Y298-H304 HydrophobicContact CD1-CB 4.1Å; Y298-H304 AromaticContact CD1-CG 3.89Å; Y298-H304 AromaticContact CD1-ND1 3.84Å; Y298-H304 HydrophobicContact CD2-CB 3.85Å; Y298-H304 HydrophobicContact CE1-CB 4.17Å; Y298-H304 AromaticContact CE1-CD2 3.82Å; Y298-H304 AromaticContact CE1-CG 3.69Å; Y298-H304 AromaticContact CE1-ND1 3.87Å; Y298-H304 HydrophobicContact CE2-CB 3.91Å; Y298-H304 HydrophobicContact CG-CB 3.94Å; Y298-H304 AromaticContact CZ-CD2 3.81Å; Y298-H304 AromaticContact CZ-CG 3.87Å
299L95.7Very high93.4Very high122 Ų122123.8 Ų123.864%0.63959%0.592SS**SBendtrans-85.2-32.1-175.3-17359.3000113.1
300H98.5Very high94Very high88 Ų88126 Ų12641%0.40758%0.582SS.*  trans-136.7130.7-172-54.8-64.2000112.1S302 R303 H304H300-S302 PolarHBondContact O-N 3.27Å; H300-R303 HydrophobicContact CB-CB 4.23Å; H300-R303 HydrophobicContact CB-CG 4Å; H300-R303 PolarHBondContact CD2-NE 2.82Å; H300-R303 PolarHBondContact O-N 3.48Å; H300-H304 PolarHBondContact O-N 2.69Å; H300-H304 VanDerWaalsContact O-N 3.14Å
301E98.1Very high94.8Very high92 Ų92126.8 Ų126.843%0.4359%0.586SS.*Hα-helixtrans-65.1-40-178-170.254-13000112.6Y298 R303 H304 R305Y298-E301 WeakPolarHBondContact CE2-OE2 3.39Å; Y298-E301 VanDerWaalsContact CZ-OE2 3.28Å; Y298-E301 PolarHBondContact OH-OE2 3.34Å; E301-R303 VanDerWaalsContact C-N 3.29Å; E301-R303 PolarHBondContact O-N 3.09Å; E301-H304 WeakPolarHBondContact O-CB 3.41Å; E301-H304 PolarHBondContact O-N 3.38Å; E301-H304 IonicContact OE1-CD2 3.58Å; E301-R305 WeakPolarHBondContact O-CG 3.33Å; E301-R305 PolarHBondContact O-N 3.15Å
302S98.4Very high95.5Very high74 Ų74128.8 Ų128.852%0.51759%0.589SS.*Hα-helixtrans-60.3-38.6176.358.20000112.6H300 H306H300-S302 PolarHBondContact O-N 3.27Å; S302-H306 WeakPolarHBondContact O-CB 3.5Å; S302-H306 PolarHBondContact O-N 2.9Å
303R98.3Very high95.8Very high177 Ų177125.4 Ų125.467%0.66857%0.573SS**Hα-helixtrans-68.4-39.6176.4-66.5-173.7-178.4-100.91.3111.6H300 E301 H306 A307H300-R303 HydrophobicContact CB-CB 4.23Å; H300-R303 HydrophobicContact CB-CG 4Å; H300-R303 PolarHBondContact CD2-NE 2.82Å; H300-R303 PolarHBondContact O-N 3.48Å; E301-R303 VanDerWaalsContact C-N 3.29Å; E301-R303 PolarHBondContact O-N 3.09Å; R303-H306 PolarHBondContact O-N 3.28Å; R303-A307 WeakPolarHBondContact O-CB 3.22Å; R303-A307 PolarHBondContact O-N 3.39Å
304H98.7Very high96.2Very high51 Ų51124.2 Ų124.224%0.23657%0.571CS.*Hα-helixtrans-61-51.2174.4178.159.1000111.1Y298 H300 E301 H306 A307 M308Y298-H304 HydrophobicContact CD1-CB 4.1Å; Y298-H304 AromaticContact CD1-CG 3.89Å; Y298-H304 AromaticContact CD1-ND1 3.84Å; Y298-H304 HydrophobicContact CD2-CB 3.85Å; Y298-H304 HydrophobicContact CE1-CB 4.17Å; Y298-H304 AromaticContact CE1-CD2 3.82Å; Y298-H304 AromaticContact CE1-CG 3.69Å; Y298-H304 AromaticContact CE1-ND1 3.87Å; Y298-H304 HydrophobicContact CE2-CB 3.91Å; Y298-H304 HydrophobicContact CG-CB 3.94Å; Y298-H304 AromaticContact CZ-CD2 3.81Å; Y298-H304 AromaticContact CZ-CG 3.87Å; H300-H304 PolarHBondContact O-N 2.69Å; H300-H304 VanDerWaalsContact O-N 3.14Å; E301-H304 WeakPolarHBondContact O-CB 3.41Å; E301-H304 PolarHBondContact O-N 3.38Å; E301-H304 IonicContact OE1-CD2 3.58Å; H304-H306 PolarHBondContact O-N 3.38Å; H304-A307 PolarHBondContact O-N 3.23Å; H304-A307 VanDerWaalsContact O-N 3.17Å; H304-M308 VanDerWaalsContact CE1-CE 3.46Å; H304-M308 WeakPolarHBondContact CE1-CE 3.46Å; H304-M308 WeakPolarHBondContact O-CG 3.48Å; H304-M308 PolarHBondContact O-N 3.22Å
305R98.4Very high96.5Very high164 Ų164119.4 Ų119.462%0.61957%0.566SS**Hα-helixtrans-57.2-45.4175.5-70.7-167.5-67.5134.6-5.9112.6E301 A307 M308 A309E301-R305 WeakPolarHBondContact O-CG 3.33Å; E301-R305 PolarHBondContact O-N 3.15Å; R305-A307 PolarHBondContact O-N 3.27Å; R305-M308 PolarHBondContact O-N 3.24Å; R305-A309 WeakPolarHBondContact O-CB 3.1Å; R305-A309 PolarHBondContact O-N 3.31Å
306H98.6Very high96.6Very high115 Ų115109.6 Ų109.653%0.53254%0.541SS..Hα-helixtrans-59.2-47.1175.7176.373.6000111.6S302 R303 H304 M308 A309 R310S302-H306 WeakPolarHBondContact O-CB 3.5Å; S302-H306 PolarHBondContact O-N 2.9Å; R303-H306 PolarHBondContact O-N 3.28Å; H304-H306 PolarHBondContact O-N 3.38Å; H306-M308 VanDerWaalsContact C-N 3.26Å; H306-M308 PolarHBondContact O-N 3.26Å; H306-A309 PolarHBondContact O-N 3.24Å; H306-R310 WeakPolarHBondContact O-CG 3.49Å; H306-R310 PolarHBondContact O-N 2.81Å
307A97.9Very high96.6Very high30 Ų30110 Ų11025%0.24854%0.542CS..Hα-helixtrans-63.7-29.8178.700000113.5R303 H304 R305 R312 F318R303-A307 WeakPolarHBondContact O-CB 3.22Å; R303-A307 PolarHBondContact O-N 3.39Å; H304-A307 PolarHBondContact O-N 3.23Å; H304-A307 VanDerWaalsContact O-N 3.17Å; R305-A307 PolarHBondContact O-N 3.27Å; A307-R312 PolarHBondContact O-NH2 2.99Å; A307-F318 HydrophobicContact CB-CZ 4.5Å
308M97.2Very high96.6Very high116 Ų116103.9 Ų103.957%0.57152%0.516SS*.Hα-helixtrans-76.6-36.9175.6-68.2-57.2151.800112.9H304 R305 H306H304-M308 VanDerWaalsContact CE1-CE 3.46Å; H304-M308 WeakPolarHBondContact CE1-CE 3.46Å; H304-M308 WeakPolarHBondContact O-CG 3.48Å; H304-M308 PolarHBondContact O-N 3.22Å; R305-M308 PolarHBondContact O-N 3.24Å; H306-M308 VanDerWaalsContact C-N 3.26Å; H306-M308 PolarHBondContact O-N 3.26Å
309A97Very high96.3Very high90 Ų90103.7 Ų103.774%0.74452%0.517SS*.Hα-helixtrans-79.2-13.9-178.600000114.6R305 H306R305-A309 WeakPolarHBondContact O-CB 3.1Å; R305-A309 PolarHBondContact O-N 3.31Å; H306-A309 PolarHBondContact O-N 3.24Å
310R96.4Very high95.9Very high104 Ų104101.3 Ų101.339%0.39251%0.511SS..SBendtrans-65.7135.1-178.8-79175.674.9174.15.7111.9H306 R312 F318H306-R310 WeakPolarHBondContact O-CG 3.49Å; H306-R310 PolarHBondContact O-N 2.81Å; R310-R312 PolarHBondContact O-N 2.91Å; R310-F318 HydrophobicContact CB-CD1 3.62Å; R310-F318 HydrophobicContact CB-CE1 3.63Å; R310-F318 HydrophobicContact CG-CD1 4.32Å; R310-F318 HydrophobicContact CG-CE1 4.21Å; R310-F318 VanDerWaalsContact NH2-CB 3.3Å; R310-F318 VanDerWaalsContact NH2-CG 3.32Å
311K95.3Very high95Very high155 Ų155102.6 Ų102.667%0.67453%0.527SS*.  trans-57130.6169.3-175171.9-179.1169.30110.3F319K311-F319 HydrophobicContact CB-CB 4.29Å; K311-F319 HydrophobicContact CD-CB 4.45Å; K311-F319 HydrophobicContact CD-CG 4.38Å; K311-F319 HydrophobicContact CG-CB 4.08Å; K311-F319 PolarHBondContact O-N 3.09Å
312R95.2Very high93.9Very high114 Ų114106 Ų10643%0.4354%0.54SS..BIsolated β-bridgetrans-107.8145.4178.5-64178.2-178.3-91.8-2.3109.9A307 R310 G316 R317A307-R312 PolarHBondContact O-NH2 2.99Å; R310-R312 PolarHBondContact O-N 2.91Å; R312-G316 PolarHBondContact NH1-O 2.97Å; R312-R317 CarbonylContact C-O 3.49Å; R312-R317 WeakPolarHBondContact CA-O 3.14Å
313G92.3Very high91.5Very high33 Ų33111 Ų11134%0.3456%0.556SS.*  trans-93.9-168.916900000111.2G316 R317G313-G316 PolarHBondContact O-N 2.88Å; G313-R317 PolarHBondContact N-O 3.44Å
314E92.9Very high89.4Confident187 Ų187111.3 Ų111.387%0.87456%0.562SS**G310 helixtrans-56.6138.9175.1-166.951.5-129.600111.1G316E314-G316 VanDerWaalsContact C-N 3.33Å; E314-G316 PolarHBondContact O-N 2.97Å
315G95.3Very high87Confident67 Ų67116.2 Ų116.269%0.69159%0.59SS**G310 helixtrans70.818.9-177.400000116R317G315-R317 PolarHBondContact O-N 3.39Å
316G95.6Very high84.5Confident38 Ų38112.7 Ų112.739%0.39259%0.59SS.*G310 helixtrans76.43.5170.700000115.8R312 G313 E314R312-G316 PolarHBondContact NH1-O 2.97Å; G313-G316 PolarHBondContact O-N 2.88Å; E314-G316 VanDerWaalsContact C-N 3.33Å; E314-G316 PolarHBondContact O-N 2.97Å
317R94.9Very high82Confident199 Ų199112.2 Ų112.275%0.75160%0.597SS**PPolyproline II helixtrans-69.4152.8173.7-64.5176.1179.5-91.2-1.2110.2R312 G313 G315R312-R317 CarbonylContact C-O 3.49Å; R312-R317 WeakPolarHBondContact CA-O 3.14Å; G313-R317 PolarHBondContact N-O 3.44Å; G315-R317 PolarHBondContact O-N 3.39Å
318F95.5Very high79.6Confident76 Ų76119.1 Ų119.133%0.33362%0.624SS.*BIsolated β-bridgetrans-62.9142.1170.3-63-52.7000110.3A307 R310 S320A307-F318 HydrophobicContact CB-CZ 4.5Å; R310-F318 HydrophobicContact CB-CD1 3.62Å; R310-F318 HydrophobicContact CB-CE1 3.63Å; R310-F318 HydrophobicContact CG-CD1 4.32Å; R310-F318 HydrophobicContact CG-CE1 4.21Å; R310-F318 VanDerWaalsContact NH2-CB 3.3Å; R310-F318 VanDerWaalsContact NH2-CG 3.32Å; F318-S320 PolarHBondContact O-N 3.18Å; F318-S320 VanDerWaalsContact O-N 3.08Å
319F91.6Very high77.3Confident86 Ų86120.5 Ų120.538%0.37763%0.631SS.*PPolyproline II helixtrans-57.4117.5178-178.9-95000109.7K311 P321K311-F319 HydrophobicContact CB-CB 4.29Å; K311-F319 HydrophobicContact CD-CB 4.45Å; K311-F319 HydrophobicContact CD-CG 4.38Å; K311-F319 HydrophobicContact CG-CB 4.08Å; K311-F319 PolarHBondContact O-N 3.09Å; F319-P321 HydrophobicContact CD1-CG 4.44Å; F319-P321 HydrophobicContact CE1-CB 4.32Å; F319-P321 HydrophobicContact CE1-CG 4.2Å
320S87Confident74.7Confident72 Ų72123.1 Ų123.150%0.50363%0.628SS.*PPolyproline II helixtrans-93.7127.1167.1-176.60000106.3F318 K322F318-S320 PolarHBondContact O-N 3.18Å; F318-S320 VanDerWaalsContact O-N 3.08Å; S320-K322 PolarHBondContact O-N 3.1Å
321P81.5Confident72.1Confident114 Ų114122.1 Ų122.174%0.7463%0.63SS**  trans-65.483.6164.5-1429.2000107.5F319F319-P321 HydrophobicContact CD1-CG 4.44Å; F319-P321 HydrophobicContact CE1-CB 4.32Å; F319-P321 HydrophobicContact CE1-CG 4.2Å
322K73.8Confident70Confident164 Ų164119.7 Ų119.771%0.71363%0.63SS**  trans-96.8134.4156.8-67.3-162.5173.1-168.10105.5S320 K324S320-K322 PolarHBondContact O-N 3.1Å; K322-K324 VanDerWaalsContact C-N 3.33Å; K322-K324 PolarHBondContact O-N 3.35Å
323E47.2Very low67.9Low180 Ų180120.1 Ų120.184%0.84164%0.641SS**  trans-39.295.3173.1-66.1155.3-166.500109.5D325 S326E323-D325 PolarHBondContact O-N 3.41Å; E323-S326 PolarHBondContact O-N 3.46Å
324K56.1Low66.2Low182 Ų182125 Ų12579%0.79166%0.655SS**  trans-81.727166.4-93.4-170.9172-170.90110.6K322K322-K324 VanDerWaalsContact C-N 3.33Å; K322-K324 PolarHBondContact O-N 3.35Å
325D48Very low64.4Low154 Ų154119.7 Ų119.782%0.82464%0.643SS**  trans-100.537.3155.7-70.1-31.9000110.5E323 P327E323-D325 PolarHBondContact O-N 3.41Å; D325-P327 WeakPolarHBondContact O-CD 3.48Å
326S44.8Very low62.6Low91 Ų91121.9 Ų121.964%0.63664%0.639SS**  trans-87.591.2138.562.20000105.6E323 H328E323-S326 PolarHBondContact O-N 3.46Å; S326-H328 PolarHBondContact O-N 3Å
327P47.4Very low60.8Low104 Ų104126.8 Ų126.868%0.67565%0.652SS**  trans-50.6137.1164.826.2-33.3000105.4D325 M329D325-P327 WeakPolarHBondContact O-CD 3.48Å; P327-M329 PolarHBondContact O-N 3.37Å
328H45.5Very low59.1Low176 Ų176123.8 Ų123.882%0.81565%0.646SS**  trans-22.3105.3161.9-169.867.5000109.9S326 Q330S326-H328 PolarHBondContact O-N 3Å; H328-Q330 PolarHBondContact O-N 3.39Å; H328-Q330 VanDerWaalsContact O-N 3.09Å
329M50.8Low57.4Low145 Ų145122.6 Ų122.671%0.71465%0.65SS**SBendtrans-48.6120.8171.9-80.1-118.9109.700106.5P327P327-M329 PolarHBondContact O-N 3.37Å
330Q40.9Very low55.9Low145 Ų145124.9 Ų124.968%0.67866%0.664SS**SBendtrans40104.2158-71.1100.25.100115.2H328H328-Q330 PolarHBondContact O-N 3.39Å; H328-Q330 VanDerWaalsContact O-N 3.09Å
331D41.6Very low54.8Low83 Ų83125.3 Ų125.344%0.44466%0.664SS.*  -157.5104.482.9-167.46.4000112.4N333 Q334D331-N333 WeakPolarHBondContact OD1-CB 3.32Å; D331-N333 PolarHBondContact OD1-N 3.1Å; D331-Q334 PolarHBondContact OD2-NE2 3.48Å
332P51.7Low53.8Low104 Ų104126.4 Ų126.468%0.67566%0.659SS**G310 helixtrans-804.7167.429.2-28.1000113.8
333N52.5Low53.1Low122 Ų122124.6 Ų124.665%0.65266%0.655SS**G310 helixtrans-91.45.4-177.9-79.1-12.9000115.9D331D331-N333 WeakPolarHBondContact OD1-CB 3.32Å; D331-N333 PolarHBondContact OD1-N 3.1Å
334Q54.7Low53.9Low137 Ų137122.2 Ų122.264%0.6465%0.647SS**G310 helixtrans-96.1-10.4175.9-82.6172.653.400114.9D331D331-Q334 PolarHBondContact OD2-NE2 3.48Å
335A56.2Low54.6Low75 Ų75124.5 Ų124.562%0.6265%0.651SS**Hα-helixtrans-84.1-24.5178.500000113.5
336D56.7Low55.4Low112 Ų112123.2 Ų123.260%0.59965%0.648SS**Hα-helixtrans-87.4-20.3-178.1-68.5-28.4000113.2M340D336-M340 PolarHBondContact O-N 2.92Å; D336-M340 VanDerWaalsContact O-N 3.1Å
337E58.4Low55.7Low142 Ų142127.1 Ų127.166%0.66468%0.676SS**Hα-helixtrans-76.8-35177.2-117.2-166.8171.500112.8M340 T341E337-M340 PolarHBondContact O-N 3.19Å; E337-T341 WeakPolarHBondContact O-CB 3.36Å; E337-T341 PolarHBondContact O-N 3.41Å; E337-T341 PolarHBondContact O-OG1 2.65Å
338E59.3Low56.1Low136 Ų136128.3 Ų128.364%0.63668%0.676SS**Hα-helixtrans-71.9-30.1174.7-75.1-164157.400112.5T341 Q342E338-T341 WeakPolarHBondContact CA-OG1 3.28Å; E338-T341 PolarHBondContact O-OG1 3.39Å; E338-Q342 WeakPolarHBondContact O-CB 3.38Å; E338-Q342 VanDerWaalsContact O-CG 3.28Å; E338-Q342 WeakPolarHBondContact O-CG 3.26Å; E338-Q342 PolarHBondContact O-N 3.35Å
339A60.6Low56.7Low50 Ų50125.8 Ų125.841%0.41367%0.668SS.*Hα-helixtrans-72.8-39.8172.900000111.8I343A339-I343 WeakPolarHBondContact O-CD1 3.44Å; A339-I343 VanDerWaalsContact O-CG1 3.26Å; A339-I343 WeakPolarHBondContact O-CG1 3.38Å; A339-I343 PolarHBondContact O-N 3.24Å
340M58.9Low57Low134 Ų134124.7 Ų124.766%0.6667%0.666SS**Hα-helixtrans-70.5-37.8175.4-79-152.8175.100113.2D336 E337 Q342 I343 I344D336-M340 PolarHBondContact O-N 2.92Å; D336-M340 VanDerWaalsContact O-N 3.1Å; E337-M340 PolarHBondContact O-N 3.19Å; M340-Q342 VanDerWaalsContact C-N 3.33Å; M340-Q342 PolarHBondContact O-N 3.32Å; M340-I343 PolarHBondContact O-N 3.48Å; M340-I344 WeakPolarHBondContact O-CG1 3.44Å; M340-I344 PolarHBondContact O-N 3.18Å
341T63.9Low58Low82 Ų82123.5 Ų123.550%0.50367%0.665SS.*Hα-helixtrans-71.7-25.6177.241.80000113.4E337 E338E337-T341 WeakPolarHBondContact O-CB 3.36Å; E337-T341 PolarHBondContact O-N 3.41Å; E337-T341 PolarHBondContact O-OG1 2.65Å; E338-T341 WeakPolarHBondContact CA-OG1 3.28Å; E338-T341 PolarHBondContact O-OG1 3.39Å
342Q61.2Low59Low137 Ų137126.1 Ų126.164%0.6468%0.679SS**Hα-helixtrans-75.4-31.8171.2-75.1-177.149.900112.9E338 M340E338-Q342 WeakPolarHBondContact O-CB 3.38Å; E338-Q342 VanDerWaalsContact O-CG 3.28Å; E338-Q342 WeakPolarHBondContact O-CG 3.26Å; E338-Q342 PolarHBondContact O-N 3.35Å; M340-Q342 VanDerWaalsContact C-N 3.33Å; M340-Q342 PolarHBondContact O-N 3.32Å
343I59.8Low59.5Low125 Ų125127.5 Ų127.564%0.64168%0.679SS**Hα-helixtrans-73.3-33.7177.8-66.9165000111.7A339 M340 R345A339-I343 WeakPolarHBondContact O-CD1 3.44Å; A339-I343 VanDerWaalsContact O-CG1 3.26Å; A339-I343 WeakPolarHBondContact O-CG1 3.38Å; A339-I343 PolarHBondContact O-N 3.24Å; M340-I343 PolarHBondContact O-N 3.48Å; I343-R345 VanDerWaalsContact C-N 3.29Å; I343-R345 PolarHBondContact O-N 3.32Å
344I63.6Low60Low131 Ų131127.9 Ų127.967%0.67268%0.681SS**Hα-helixtrans-75-15.8-179.6-65.4167.1000112.9M340M340-I344 WeakPolarHBondContact O-CG1 3.44Å; M340-I344 PolarHBondContact O-N 3.18Å
345R69.3Low60.4Low229 Ų229127.2 Ų127.286%0.86468%0.684SS**THydrogen-bonded Turntrans-86.7-1.5178.3-101.3-178.6-171.81585.1115.1I343I343-R345 VanDerWaalsContact C-N 3.29Å; I343-R345 PolarHBondContact O-N 3.32Å
346V65.9Low60.7Low127 Ų127131.6 Ų131.677%0.7769%0.69SS**  trans-122.635.7-175-164.70000112
347S50.9Low61.1Low174 Ų174133.4 Ų133.4100%1.21770%0.698SS**  trans-135.80169.3-65.50000110.3

Retrieved 347 of 347 residues in 201 ms (Link to these results)