A0A5K4F8C5_SCHMA Loading...

Lebercilin domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F8C5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 696 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M54.7Low48.8Very low239 Ų239157.9 Ų157.9100%1.17784%0.837SS**  0120.20-87.8-167.1159.600108.5
2C45.2Very low48.9Very low111 Ų111153.3 Ų153.375%0.7584%0.837SS**  trans41.3103156-54.60000118.6
3N41.6Very low48.4Very low146 Ų146152.8 Ų152.878%0.78183%0.833SS**  82.5117.776-77.8-7.9000113.8
4L54.4Low48.3Very low172 Ų172151.6 Ų151.690%0.90184%0.839SS**  147.7116.1120.2-86.7132.5000113.6
5L49.3Very low48Very low143 Ų143147.7 Ų147.775%0.74983%0.827SS**  trans-68.7171.9162.8-95.2127.3000111.8
6P59.9Low47.5Very low130 Ų130150 Ų15084%0.84483%0.829SS**  -139.1149.399.732.6-16.4000116.4
7N45.7Very low47.4Very low119 Ų119146.7 Ų146.764%0.63683%0.826SS**  trans-57150.6169-87.5-34.1000114.6
8Y52.1Low46.9Very low240 Ų240151.3 Ų151.394%0.94183%0.83SS**  trans-145.7120133-100.3-81.7000110.5
9Q41.4Very low47Very low167 Ų167153.6 Ų153.678%0.7884%0.835SS**  trans-88.9136.3166.7-78.9168-4300109.1
10V51.9Low46.8Very low146 Ų146151.6 Ų151.689%0.88583%0.828SS**  trans-139.3116.6148.1177.80000107.7
11T40.2Very low46.4Very low124 Ų124151.3 Ų151.376%0.76183%0.825SS**  trans-76142.9169.532.40000110.9
12A50.7Low46Very low102 Ų102145 Ų14584%0.84381%0.805SS**  trans-140.8111151.700000108.3
13D41.5Very low45.9Very low147 Ų147148 Ų14879%0.78681%0.808SS**  trans-59.1144.3166.8-71.9-50.7000111.4
14C46.9Very low46Very low136 Ų136148.8 Ų148.892%0.91981%0.805SS**  trans-171.287.3140.7-102.50000108.7
15S44Very low45.4Very low94 Ų94145.6 Ų145.666%0.65780%0.796SS**  trans-78.2152.6162.946.30000111.5
16E40.3Very low45.6Very low184 Ų184148 Ų14886%0.8680%0.797SS**  trans63.3115.8148.6-73.1172.8152.600119.5
17A45.6Very low44.6Very low94 Ų94147.2 Ų147.278%0.77780%0.795SS**  -173132.693.500000111.1
18Y39.6Very low45Very low229 Ų229146.7 Ų146.790%0.89880%0.796SS**  trans-71.2133.2163.5-77-103.4000108.8
19E47.8Very low45Very low196 Ų196141.6 Ų141.692%0.91679%0.785SS**  trans-124109.9158.3-81.4-170.5167.900110.3
20T43.6Very low45.2Very low113 Ų113141.9 Ų141.969%0.69378%0.784SS**  trans-68.8155168.729.40000113.3
21D38.1Very low44.9Very low145 Ų145141.3 Ų141.378%0.77578%0.776SS**  trans64.6118.5145.4-60.3-21.2000120.9
22S46.3Very low45.4Very low108 Ų108142.6 Ų142.676%0.75578%0.777SS**  trans-135.478.4150.8-163.60000109.6
23E42.5Very low45.3Very low172 Ų172146.7 Ų146.780%0.80478%0.776SS**  trans-73.1127.2155.3-78.2-173.2148.700108.8
24F44Very low45.4Very low164 Ų164144.1 Ų144.172%0.71977%0.769SS**  trans-117.486.9164.5-107.3-82.4000109.1Y26F24-Y26 AromaticContact CD1-CD2 3.85Å; F24-Y26 HydrophobicContact CD1-CD2 3.85Å; F24-Y26 AromaticContact CD1-CE2 3.73Å; F24-Y26 HydrophobicContact CD1-CE2 3.73Å; F24-Y26 HydrophobicContact CE1-CD2 4.2Å; F24-Y26 AromaticContact CE1-CE2 3.6Å; F24-Y26 HydrophobicContact CE1-CE2 3.6Å
25S41.4Very low45.6Very low104 Ų104147.4 Ų147.473%0.72776%0.764SS**  trans-102.9104.1162.1-61.40000108.2S27S25-S27 PolarHBondContact O-N 3.46Å
26Y54.1Low45.6Very low193 Ų193151.7 Ų151.776%0.75777%0.77SS**  trans-76.1118.2172.2-105.6-85.6000110.2F24 V28F24-Y26 AromaticContact CD1-CD2 3.85Å; F24-Y26 HydrophobicContact CD1-CD2 3.85Å; F24-Y26 AromaticContact CD1-CE2 3.73Å; F24-Y26 HydrophobicContact CD1-CE2 3.73Å; F24-Y26 HydrophobicContact CE1-CD2 4.2Å; F24-Y26 AromaticContact CE1-CE2 3.6Å; F24-Y26 HydrophobicContact CE1-CE2 3.6Å; Y26-V28 HydrophobicContact CD1-CG2 4.33Å
27S39.1Very low45.6Very low115 Ų115147.7 Ų147.780%0.80477%0.769SS**  trans-116.5124.4163.3-68.50000109.5S25S25-S27 PolarHBondContact O-N 3.46Å
28V53.4Low45.8Very low107 Ų107149.2 Ų149.265%0.64877%0.774SS**  trans-158.9125.1172.8176.60000103.5Y26Y26-V28 HydrophobicContact CD1-CG2 4.33Å
29D53.4Low45.8Very low134 Ų134147.6 Ų147.672%0.71777%0.771SS**  cis-157.8137.714.6-102.4-34.9000110
30K45.3Very low45.8Very low173 Ų173147.9 Ų147.975%0.75277%0.773SS**  trans31.7130130.1-70.5-176.5178.4178.10124
31D45.2Very low45.6Very low134 Ų134152.3 Ų152.372%0.71778%0.782SS**  trans73.6106.8134.8-56-28.7000120.9
32L50.1Low46.1Very low151 Ų151150.6 Ų150.679%0.79178%0.781SS**  -178.8117.7106.1-114.687.3000113.2
33K49.2Very low46.1Very low188 Ų188154 Ų15482%0.81778%0.783SS**  trans55.8112.4137.3-69.8176.8178.3175.10122.5
34S43.4Very low46.2Very low92 Ų92153.2 Ų153.264%0.64378%0.779SS**  trans-7.5145.9145.667.60000120.8
35Y50.3Low46.3Very low206 Ų206153.8 Ų153.881%0.80879%0.79SS**  -169.7121.5108.3-105.8-82000113.5
36K44.5Very low46.3Very low183 Ų183158.1 Ų158.180%0.79680%0.795SS**  trans22.6119.6147-64.5-176.1177.3-179.50123.1
37A40.5Very low45.8Very low101 Ų101151.8 Ų151.884%0.83579%0.789SS**  35.4125.2116.800000121.8
38S49.8Very low46.1Very low125 Ų125153.3 Ų153.387%0.87479%0.788SS**  -159.9143.4126.6-167.10000112.5
39K40Very low45.9Very low195 Ų195155.1 Ų155.185%0.84879%0.794SS**  trans-77149.9-179.8-65.9166.2173.3171.20110.8
40Q47.6Very low45.5Very low203 Ų203153.4 Ų153.495%0.94979%0.79SS**  trans-161.6135.1132.9-111.2171.93.500113.3
41K40.3Very low45.1Very low206 Ų206150.3 Ų150.390%0.89679%0.791SS**  trans-81.2151.1178.7-69.7171.6169.3176.70111.1
42S47.5Very low45Very low108 Ų108150.6 Ų150.676%0.75580%0.797SS**  trans-170104.3144.4-176.40000111.1
43K46.4Very low44.5Very low179 Ų179153.3 Ų153.378%0.77880%0.803SS**  64.4103.9117.4-74.5-178.9175.2178.20116.1
44Q44.6Very low44.1Very low157 Ų157149.1 Ų149.173%0.73480%0.797SS**  74.3109.493.8-85.4-173.4-33.400113.9
45N46.7Very low43.8Very low176 Ų176149.8 Ų149.894%0.94180%0.802SS**  -149129.8129.2-102.3-21.1000111.7
46K40.9Very low43.4Very low194 Ų194148.4 Ų148.484%0.84381%0.808SS**  trans-94.3151-177.3-99.6175.2168.8178.60109.9
47G44.2Very low43.5Very low61 Ų61148.5 Ų148.563%0.62981%0.808SS**  trans173.593.8156.600000108.6
48N44.7Very low43.6Very low147 Ų147151.8 Ų151.879%0.78681%0.811SS**  64.8124.994.6-65-3.4000110.1
49N48.5Very low43.6Very low144 Ų144151.8 Ų151.877%0.7780%0.801SS**  cis-176.2-165.629.5-1433.8000108.2
50P45.7Very low43.7Very low98 Ų98147 Ų14764%0.63679%0.791SS**  -120.4176.9-105.337.6-18.5000115.6
51S37.4Very low43.7Very low109 Ų109147.2 Ų147.276%0.76279%0.785SS**  trans-42.3141.4167.162.70000115.2
52T43Very low44Very low139 Ų139146 Ų14685%0.85378%0.78SS**  trans-136.8111.815324.80000111
53K39.6Very low44.1Very low208 Ų208146.7 Ų146.790%0.90479%0.785SS**  trans-65.2136.4159-68.1169.9173.2175.10109.1
54S41.4Very low44Very low100 Ų100147.1 Ų147.170%0.69979%0.786SS**  trans-170.5105.1151.3530000109.3
55S35.6Very low44Very low106 Ų106148.3 Ų148.374%0.74180%0.797SS**  71.175.299.968.60000115.3
56L42.4Very low44.1Very low178 Ų178144.7 Ų144.793%0.93279%0.785SS**  trans-102.889.7163.9-79.3166.7000111.1
57K47.4Very low44.5Very low185 Ų185143.5 Ų143.580%0.80478%0.783SS**  trans-0.3116.8155.6-64.5171.3179.9176.30117.6I59K57-I59 PolarHBondContact O-N 3.31Å
58N42.1Very low44.4Very low169 Ų169149.3 Ų149.390%0.90479%0.793SS**  trans-56.8115.9153.5-84.5-31000110.3S60N58-S60 PolarHBondContact O-N 3.23Å
59I49.3Very low44.5Very low126 Ų126150.1 Ų150.165%0.64680%0.797SS**  trans-9199168.8-62.1172.4000107.5K57 Y61K57-I59 PolarHBondContact O-N 3.31Å; I59-Y61 HydrophobicContact CB-CE2 4.47Å; I59-Y61 HydrophobicContact CG2-CD2 4.09Å; I59-Y61 HydrophobicContact CG2-CE1 4.37Å; I59-Y61 HydrophobicContact CG2-CE2 3.64Å; I59-Y61 PolarHBondContact O-N 3.16Å
60S41.4Very low44.4Very low94 Ų94148.2 Ų148.266%0.65779%0.793SS**  trans-79.4107.2170.4149.10000109.5N58 K62N58-S60 PolarHBondContact O-N 3.23Å; S60-K62 PolarHBondContact O-N 3.26Å; S60-K62 VanDerWaalsContact O-N 3.13Å
61Y49.4Very low44Very low208 Ų208149.1 Ų149.182%0.81680%0.797SS**  trans-78.487.2168.3-69.4-84.4000110.4I59I59-Y61 HydrophobicContact CB-CE2 4.47Å; I59-Y61 HydrophobicContact CG2-CD2 4.09Å; I59-Y61 HydrophobicContact CG2-CE1 4.37Å; I59-Y61 HydrophobicContact CG2-CE2 3.64Å; I59-Y61 PolarHBondContact O-N 3.16Å
62K45.7Very low44.7Very low180 Ų180152.2 Ų152.278%0.78380%0.803SS**  trans-94.695.3159.6-83.8-167.2174.7-1760108.4S60 K64S60-K62 PolarHBondContact O-N 3.26Å; S60-K62 VanDerWaalsContact O-N 3.13Å; K62-K64 PolarHBondContact O-N 2.97Å
63S49.4Very low44.9Very low123 Ų123154.4 Ų154.486%0.8680%0.801SS**  trans-75.3108.4167.4-165.20000108.6
64K45.4Very low45.1Very low187 Ų187150.7 Ų150.781%0.81380%0.798SS**  trans-81.6116.1168.9-75.3-174176.3-178.20107.9K62 S66K62-K64 PolarHBondContact O-N 2.97Å; K64-S66 PolarHBondContact O-N 3.45Å; K64-S66 VanDerWaalsContact O-N 3.1Å
65L43.9Very low45.5Very low182 Ų182151 Ų15195%0.95380%0.8SS**  trans-60.7104170.8-164.570.5000108.7
66S48.6Very low46Very low100 Ų100150.5 Ų150.570%0.69980%0.796SS**  trans-93.3115.4-179.8-1770000110.3K64K64-S66 PolarHBondContact O-N 3.45Å; K64-S66 VanDerWaalsContact O-N 3.1Å
67Q49.6Very low46.2Very low169 Ų169149.9 Ų149.979%0.7979%0.789SS**  trans47.4106.8138.1-59.2-168.8-13.100119.3
68H41.8Very low46.5Very low183 Ų183146.9 Ų146.985%0.84779%0.791SS**  22.8111.1128.2-82.1-82.8000118.1
69N46.4Very low46.7Very low164 Ų164148.3 Ų148.388%0.87778%0.784SS**  trans-109.3122.9144.6-87.3-29.7000108.3
70P46.3Very low46.6Very low105 Ų105151.4 Ų151.468%0.68279%0.793SS**  trans-86.1167.6165.334.7-28.1000110
71T38.1Very low46.7Very low116 Ų116153 Ų15371%0.71279%0.794SS**  trans97.785.3158.3-35.60000116.6
72I51.2Low46.5Very low174 Ų174151.8 Ų151.889%0.89280%0.796SS**  trans-133.1118138.6-58.9-176.9000107.6
73K47Very low46.7Very low186 Ų186150 Ų15081%0.80980%0.8SS**  trans-68.1147-176.2-65.1170.6174.2176.30112.2
74P44.5Very low46.5Very low130 Ų130148.5 Ų148.584%0.84479%0.789SS**  trans-96.4126.8155.133.7-23.4000110.6
75S49.4Very low46.5Very low106 Ų106144.4 Ų144.474%0.74178%0.784SS**  trans-114.4130.6157.1163.20000103
76S46.9Very low46.7Very low95 Ų95141.4 Ų141.466%0.66477%0.774SS**  -161.6132.252.1-38.60000107.4
77Q47.4Very low46.4Very low165 Ų165142 Ų14277%0.77178%0.777SS**  86.993.291.1-162159.4-900113.8
78S52.8Low46.4Very low123 Ų123138.9 Ų138.986%0.8677%0.774SS**  trans-152.5122.5147-177.20000110.5
79R45.9Very low46.5Very low199 Ų199136 Ų13675%0.75178%0.775SS**  trans-71.2147.9-175.4-62.7166.7-178.9165.1-0.9110.4
80F46.7Very low46.9Very low190 Ų190136.9 Ų136.983%0.83377%0.771SS**  -175100.3123.4-102.8-72.8000110.4
81D45Very low47Very low128 Ų128142 Ų14268%0.68478%0.782SS**  trans52.6108.4135-55.2-17.6000121.5
82H45.4Very low47.9Very low182 Ų182141.7 Ų141.784%0.84378%0.782SS**  trans-58.5131.1153-66.3-89.9000111.6
83V49.1Very low47.8Very low143 Ų143139.9 Ų139.987%0.86778%0.775SS**  trans-127.5100.5145.3-173.40000107.9
84S45.5Very low48.2Very low92 Ų92137.9 Ų137.964%0.64377%0.771SS**  trans-54.2145.6161.9-55.20000110.5
85S45.9Very low48.6Very low100 Ų100137.1 Ų137.170%0.69976%0.76SS**  165.2130.4112.2-73.70000113.3
86T47.8Very low48.8Very low120 Ų120139.8 Ų139.874%0.73677%0.766SS**  trans73.298.3134.259.50000120
87S42Very low49.2Very low111 Ų111144.8 Ų144.878%0.77678%0.776SS**  42.8107.3114.5650000118.1
88S49.6Very low49.6Very low104 Ų104143.8 Ų143.873%0.72778%0.775SS**  trans-161.6111.6144.4-175.80000109.7K90S88-K90 PolarHBondContact O-N 3.3Å
89S44.2Very low49.9Very low123 Ų123142.9 Ų142.986%0.8677%0.768SS**  trans-57.2100.5173.949.50000111.5
90K54.2Low50.8Low182 Ų182137.4 Ų137.479%0.79176%0.761SS**  trans-132.9109.9159.7-92.1178.5178172.20108.5S88 P92S88-K90 PolarHBondContact O-N 3.3Å; K90-P92 WeakPolarHBondContact O-CD 3.38Å
91K48.7Very low52.3Low213 Ų213129.9 Ų129.993%0.92674%0.737SS**  trans-46.3108.6165.6-75.4177.6173.9177.20108.3
92P56.8Low54.2Low109 Ų109131 Ų13171%0.70874%0.736SS**  trans-83.7126.4170.225.6-13000107.2K90 I94K90-P92 WeakPolarHBondContact O-CD 3.38Å; P92-I94 PolarHBondContact O-N 3.13Å
93N48.6Very low56.1Low137 Ų137126.7 Ų126.773%0.73372%0.719SS**  trans-45.9115.8171.5-166.7-6.4000110N95N93-N95 PolarHBondContact O-N 2.98Å
94I56.1Low57.9Low143 Ų143125.9 Ų125.973%0.73371%0.706SS**  trans-75.810.8-169.4-68.5172.1000112.2P92P92-I94 PolarHBondContact O-N 3.13Å
95N52.7Low60.1Low115 Ų115130.5 Ų130.562%0.61571%0.709SS**SBendtrans-114.6105.1-163.5-49.72.3000108.4N93N93-N95 PolarHBondContact O-N 2.98Å
96N54.4Low62.2Low162 Ų162132 Ų13287%0.86670%0.699SS**SBendtrans99.722.8158.7-54.1-11.8000120.9
97K55Low64.3Low200 Ų200131.3 Ų131.387%0.8769%0.688SS**SBendtrans-130.36.4170.2-114.3-179.4-178.1-176.30117.3
98L55.5Low66.8Low143 Ų143129.6 Ų129.675%0.74968%0.676SS**SBendtrans-84.4-5.4179.7-80.1159.1000114.4
99S58.6Low68.9Low104 Ų104129.9 Ų129.973%0.72767%0.669SS**Hα-helixtrans-83.8-27.6-168.9-151.60000115.2
100S64.4Low71.2Confident84 Ų84128 Ų12859%0.58765%0.647SS**Hα-helixtrans-81.8-42.5-176.370.20000113F102 L103 E104S100-F102 VanDerWaalsContact C-N 3.27Å; S100-F102 PolarHBondContact O-N 3.31Å; S100-L103 PolarHBondContact O-N 3.37Å; S100-E104 PolarHBondContact O-N 2.65Å
101G79.6Confident73Confident33 Ų33124.8 Ų124.834%0.3464%0.638SS.*Hα-helixtrans-70.6-20.2-179.500000114.4R105G101-R105 WeakPolarHBondContact O-CB 3.33Å; G101-R105 WeakPolarHBondContact O-CD 3.49Å; G101-R105 VanDerWaalsContact O-CG 3.23Å; G101-R105 WeakPolarHBondContact O-CG 3.49Å; G101-R105 PolarHBondContact O-N 3.36Å
102F83.7Confident75.1Confident151 Ų151117.3 Ų117.366%0.66262%0.615SS**Hα-helixtrans-74.7-40.8174-176.6-95.1000111.5S100 W106S100-F102 VanDerWaalsContact C-N 3.27Å; S100-F102 PolarHBondContact O-N 3.31Å; F102-W106 WeakPolarHBondContact O-CB 3.3Å; F102-W106 PolarHBondContact O-N 3.28Å
103L84.9Confident76.9Confident92 Ų92116.4 Ų116.448%0.48260%0.604SS.*Hα-helixtrans-68.4-47.8-179.8-172.365.5000111.6S100 R105 W106 E107S100-L103 PolarHBondContact O-N 3.37Å; L103-R105 VanDerWaalsContact C-N 3.3Å; L103-R105 PolarHBondContact O-N 3.34Å; L103-W106 HydrophobicContact CD1-CE3 4.27Å; L103-W106 CarbonylContact O-C 3.55Å; L103-W106 WeakPolarHBondContact O-CA 3.39Å; L103-W106 WeakPolarHBondContact O-CB 3.36Å; L103-W106 PolarHBondContact O-N 2.99Å; L103-E107 WeakPolarHBondContact O-CG 3.47Å; L103-E107 PolarHBondContact O-N 3.09Å
104E88Confident78.9Confident126 Ų126112.5 Ų112.559%0.58959%0.591SS**Hα-helixtrans-59.6-39.4177-72.2173.8-172.400112.3S100 S108S100-E104 PolarHBondContact O-N 2.65Å; E104-S108 WeakPolarHBondContact O-CB 3.29Å; E104-S108 PolarHBondContact O-N 2.86Å; E104-S108 PolarHBondContact O-OG 3.1Å
105R90.8Very high80.7Confident188 Ų188110.5 Ų110.571%0.70958%0.582SS**Hα-helixtrans-67.1-38.8174-78179.1176.8-136.9-1112.1G101 L103 N109G101-R105 WeakPolarHBondContact O-CB 3.33Å; G101-R105 WeakPolarHBondContact O-CD 3.49Å; G101-R105 VanDerWaalsContact O-CG 3.23Å; G101-R105 WeakPolarHBondContact O-CG 3.49Å; G101-R105 PolarHBondContact O-N 3.36Å; L103-R105 VanDerWaalsContact C-N 3.3Å; L103-R105 PolarHBondContact O-N 3.34Å; R105-N109 WeakPolarHBondContact O-CB 3.43Å; R105-N109 PolarHBondContact O-N 3.44Å; R105-N109 PolarHBondContact O-ND2 2.97Å
106W91.7Very high82.5Confident132 Ų132107.1 Ų107.150%0.557%0.57SS.*Hα-helixtrans-65.7-46.8176.5-17986.7000111.1F102 L103 N109 Q110F102-W106 WeakPolarHBondContact O-CB 3.3Å; F102-W106 PolarHBondContact O-N 3.28Å; L103-W106 HydrophobicContact CD1-CE3 4.27Å; L103-W106 CarbonylContact O-C 3.55Å; L103-W106 WeakPolarHBondContact O-CA 3.39Å; L103-W106 WeakPolarHBondContact O-CB 3.36Å; L103-W106 PolarHBondContact O-N 2.99Å; W106-N109 WeakPolarHBondContact O-CB 3.37Å; W106-N109 PolarHBondContact O-N 3.31Å; W106-Q110 HydrophobicContact CD2-CG 4.08Å; W106-Q110 HydrophobicContact CE3-CG 4.22Å; W106-Q110 HydrophobicContact CH2-CG 4.01Å; W106-Q110 HydrophobicContact CZ2-CG 3.87Å; W106-Q110 HydrophobicContact CZ3-CG 4.18Å; W106-Q110 WeakPolarHBondContact O-CG 3.43Å; W106-Q110 PolarHBondContact O-N 3.42Å
107E91.5Very high84.4Confident106 Ų106103.6 Ų103.650%0.49555%0.551SS.*Hα-helixtrans-61.1-45175.9-71.6178.2173.600112L103 N109 Q110 L111L103-E107 WeakPolarHBondContact O-CG 3.47Å; L103-E107 PolarHBondContact O-N 3.09Å; E107-N109 VanDerWaalsContact C-N 3.28Å; E107-N109 PolarHBondContact O-N 2.96Å; E107-Q110 PolarHBondContact O-N 3.12Å; E107-Q110 VanDerWaalsContact O-N 3.13Å; E107-L111 PolarHBondContact O-N 2.87Å
108S93.2Very high86.2Confident75 Ų7597.8 Ų97.852%0.52454%0.536SS..Hα-helixtrans-59.5-39.4175.1-60.60000112.1E104 A112E104-S108 WeakPolarHBondContact O-CB 3.29Å; E104-S108 PolarHBondContact O-N 2.86Å; E104-S108 PolarHBondContact O-OG 3.1Å; S108-A112 WeakPolarHBondContact O-CB 3.48Å; S108-A112 PolarHBondContact O-N 2.82Å
109N93.5Very high87.9Confident110 Ų11095.6 Ų95.659%0.58852%0.524SS*.Hα-helixtrans-69.1-36176-72.7-20.8000112.3R105 W106 E107 L113R105-N109 WeakPolarHBondContact O-CB 3.43Å; R105-N109 PolarHBondContact O-N 3.44Å; R105-N109 PolarHBondContact O-ND2 2.97Å; W106-N109 WeakPolarHBondContact O-CB 3.37Å; W106-N109 PolarHBondContact O-N 3.31Å; E107-N109 VanDerWaalsContact C-N 3.28Å; E107-N109 PolarHBondContact O-N 2.96Å; N109-L113 VanDerWaalsContact O-CB 3.28Å; N109-L113 WeakPolarHBondContact O-CB 3.29Å; N109-L113 PolarHBondContact O-N 3.42Å
110Q92.8Very high89.4Confident84 Ų8494.9 Ų94.939%0.39351%0.511SS..Hα-helixtrans-67.2-41.5175.3-67.9-59.5-22.800111.7W106 E107 L113 A114W106-Q110 HydrophobicContact CD2-CG 4.08Å; W106-Q110 HydrophobicContact CE3-CG 4.22Å; W106-Q110 HydrophobicContact CH2-CG 4.01Å; W106-Q110 HydrophobicContact CZ2-CG 3.87Å; W106-Q110 HydrophobicContact CZ3-CG 4.18Å; W106-Q110 WeakPolarHBondContact O-CG 3.43Å; W106-Q110 PolarHBondContact O-N 3.42Å; E107-Q110 PolarHBondContact O-N 3.12Å; E107-Q110 VanDerWaalsContact O-N 3.13Å; Q110-L113 PolarHBondContact O-N 3.26Å; Q110-A114 PolarHBondContact O-N 3.49Å
111L93.6Very high90.5Very high113 Ų11393.9 Ų93.959%0.59251%0.508SS*.Hα-helixtrans-63.3-47.1175.1-174.664.9000111.2E107 L113 A114 D115E107-L111 PolarHBondContact O-N 2.87Å; L111-L113 VanDerWaalsContact C-N 3.26Å; L111-L113 PolarHBondContact O-N 2.96Å; L111-A114 WeakPolarHBondContact O-CB 3.43Å; L111-A114 PolarHBondContact O-N 3.42Å; L111-A114 VanDerWaalsContact O-N 3.12Å; L111-D115 PolarHBondContact O-N 2.85Å
112A92.2Very high91.1Very high56 Ų5697.2 Ų97.246%0.46352%0.515SS..Hα-helixtrans-60.5-35.3175.600000112.6S108 A116S108-A112 WeakPolarHBondContact O-CB 3.48Å; S108-A112 PolarHBondContact O-N 2.82Å; A112-A116 VanDerWaalsContact O-CB 3.3Å; A112-A116 WeakPolarHBondContact O-CB 3.46Å; A112-A116 PolarHBondContact O-N 3.27Å
113L93.1Very high91.5Very high90 Ų9094.5 Ų94.547%0.47151%0.507SS..Hα-helixtrans-69.2-40.1174.6-176.764.2000111.9N109 Q110 L111 A116 N117N109-L113 VanDerWaalsContact O-CB 3.28Å; N109-L113 WeakPolarHBondContact O-CB 3.29Å; N109-L113 PolarHBondContact O-N 3.42Å; Q110-L113 PolarHBondContact O-N 3.26Å; L111-L113 VanDerWaalsContact C-N 3.26Å; L111-L113 PolarHBondContact O-N 2.96Å; L113-A116 PolarHBondContact O-N 3.41Å; L113-N117 WeakPolarHBondContact O-CB 3.16Å; L113-N117 VanDerWaalsContact O-CG 3.25Å; L113-N117 PolarHBondContact O-N 2.99Å; L113-N117 PolarHBondContact O-ND2 2.85Å
114A92.5Very high91.8Very high55 Ų5594 Ų9446%0.45551%0.505SS..Hα-helixtrans-63.7-44.4175.300000111.6Q110 L111 N117 S118Q110-A114 PolarHBondContact O-N 3.49Å; L111-A114 WeakPolarHBondContact O-CB 3.43Å; L111-A114 PolarHBondContact O-N 3.42Å; L111-A114 VanDerWaalsContact O-N 3.12Å; A114-N117 PolarHBondContact O-N 3.47Å; A114-S118 PolarHBondContact O-N 3.47Å
115D92.8Very high92Very high101 Ų10194.8 Ų94.854%0.5451%0.506SS..Hα-helixtrans-62.6-44175.6-73.1-18000111.6L111 N117 S118 L119L111-D115 PolarHBondContact O-N 2.85Å; D115-N117 VanDerWaalsContact C-N 3.34Å; D115-N117 PolarHBondContact O-N 3.46Å; D115-S118 WeakPolarHBondContact O-CB 3.48Å; D115-S118 PolarHBondContact O-N 3.1Å; D115-L119 PolarHBondContact O-N 3.16Å
116A90.8Very high92.1Very high44 Ų4490 Ų9036%0.36449%0.492SS..Hα-helixtrans-61.6-41.4175.300000112.1A112 L113 L119 I120A112-A116 VanDerWaalsContact O-CB 3.3Å; A112-A116 WeakPolarHBondContact O-CB 3.46Å; A112-A116 PolarHBondContact O-N 3.27Å; L113-A116 PolarHBondContact O-N 3.41Å; A116-L119 PolarHBondContact O-N 3.44Å; A116-I120 WeakPolarHBondContact O-CB 3.46Å; A116-I120 VanDerWaalsContact O-CG1 3.23Å; A116-I120 WeakPolarHBondContact O-CG1 3.49Å; A116-I120 PolarHBondContact O-N 3.04Å
117N93.3Very high92.1Very high88 Ų8887.9 Ų87.947%0.47149%0.49SS..Hα-helixtrans-67.2-38.2176.9-75.7-29.6000112.4L113 A114 D115 I120 A121L113-N117 WeakPolarHBondContact O-CB 3.16Å; L113-N117 VanDerWaalsContact O-CG 3.25Å; L113-N117 PolarHBondContact O-N 2.99Å; L113-N117 PolarHBondContact O-ND2 2.85Å; A114-N117 PolarHBondContact O-N 3.47Å; D115-N117 VanDerWaalsContact C-N 3.34Å; D115-N117 PolarHBondContact O-N 3.46Å; N117-I120 PolarHBondContact O-N 2.92Å; N117-A121 PolarHBondContact O-N 2.88Å
118S93.2Very high92.2Very high79 Ų7990 Ų9055%0.55250%0.498SS*.Hα-helixtrans-60.7-46.4173-175.10000111.2A114 D115 I120 A121 Q122A114-S118 PolarHBondContact O-N 3.47Å; D115-S118 WeakPolarHBondContact O-CB 3.48Å; D115-S118 PolarHBondContact O-N 3.1Å; S118-I120 PolarHBondContact O-N 2.99Å; S118-A121 WeakPolarHBondContact O-CB 3.49Å; S118-A121 PolarHBondContact O-N 3.27Å; S118-Q122 PolarHBondContact O-N 3.49Å
119L91.5Very high91.9Very high97 Ų9790.6 Ų90.651%0.50850%0.495SS..Hα-helixtrans-63.3-41.2175.9-176.463.2000112.2D115 A116 A121 Q122 L123D115-L119 PolarHBondContact O-N 3.16Å; A116-L119 PolarHBondContact O-N 3.44Å; L119-A121 VanDerWaalsContact C-N 3.31Å; L119-A121 PolarHBondContact O-N 3.42Å; L119-Q122 PolarHBondContact O-N 3.18Å; L119-L123 HydrophobicContact CD1-CD1 4.44Å; L119-L123 HydrophobicContact CD1-CG 4.37Å; L119-L123 HydrophobicContact CG-CD1 4.09Å; L119-L123 HydrophobicContact CG-CG 4.45Å; L119-L123 WeakPolarHBondContact O-CB 3.49Å; L119-L123 WeakPolarHBondContact O-CG 3.28Å; L119-L123 PolarHBondContact O-N 3.23Å
120I89.8Confident91.9Very high88 Ų8889 Ų8945%0.45149%0.491SS..Hα-helixtrans-61.3-40.7174.6-72.6165.3000110.8A116 N117 S118 N124A116-I120 WeakPolarHBondContact O-CB 3.46Å; A116-I120 VanDerWaalsContact O-CG1 3.23Å; A116-I120 WeakPolarHBondContact O-CG1 3.49Å; A116-I120 PolarHBondContact O-N 3.04Å; N117-I120 PolarHBondContact O-N 2.92Å; S118-I120 PolarHBondContact O-N 2.99Å; I120-N124 WeakPolarHBondContact CG2-ND2 3.33Å; I120-N124 WeakPolarHBondContact O-CB 3.29Å; I120-N124 PolarHBondContact O-N 3.33Å; I120-N124 PolarHBondContact O-ND2 3.49Å
121A88.9Confident91.9Very high63 Ų6390.8 Ų90.852%0.52150%0.498SS..Hα-helixtrans-64.8-42.5176.800000111.7N117 S118 L119 N124 K125N117-A121 PolarHBondContact O-N 2.88Å; S118-A121 WeakPolarHBondContact O-CB 3.49Å; S118-A121 PolarHBondContact O-N 3.27Å; L119-A121 VanDerWaalsContact C-N 3.31Å; L119-A121 PolarHBondContact O-N 3.42Å; A121-N124 PolarHBondContact O-N 3.09Å; A121-K125 PolarHBondContact O-N 3.3Å; A121-K125 VanDerWaalsContact O-N 3.07Å
122Q90.9Very high91.9Very high104 Ų10490.7 Ų90.749%0.48650%0.497SS..Hα-helixtrans-63.2-49.5175.4-176.8178.4-8.400112S118 L119 N124 K125 E126S118-Q122 PolarHBondContact O-N 3.49Å; L119-Q122 PolarHBondContact O-N 3.18Å; Q122-N124 VanDerWaalsContact C-N 3.28Å; Q122-N124 PolarHBondContact O-N 2.95Å; Q122-K125 WeakPolarHBondContact O-CA 3.13Å; Q122-K125 WeakPolarHBondContact O-CB 3.27Å; Q122-K125 PolarHBondContact O-N 3.21Å; Q122-E126 PolarHBondContact NE2-OE1 3.35Å; Q122-E126 PolarHBondContact O-N 2.98Å
123L92.7Very high91.9Very high93 Ų9393.7 Ų93.749%0.48750%0.502SS..Hα-helixtrans-61.5-35.8178.1-71.8172.7000112.2L119 K125 E126 L127L119-L123 HydrophobicContact CD1-CD1 4.44Å; L119-L123 HydrophobicContact CD1-CG 4.37Å; L119-L123 HydrophobicContact CG-CD1 4.09Å; L119-L123 HydrophobicContact CG-CG 4.45Å; L119-L123 WeakPolarHBondContact O-CB 3.49Å; L119-L123 WeakPolarHBondContact O-CG 3.28Å; L119-L123 PolarHBondContact O-N 3.23Å; L123-K125 VanDerWaalsContact C-N 3.34Å; L123-E126 PolarHBondContact O-N 3.36Å; L123-L127 VanDerWaalsContact O-CB 3.27Å; L123-L127 WeakPolarHBondContact O-CB 3.46Å; L123-L127 PolarHBondContact O-N 3Å
124N90.4Very high91.9Very high83 Ų8395 Ų9544%0.44451%0.508SS..Hα-helixtrans-67.1-34.1173.9-83.2-50.7000112.8I120 A121 Q122 K128I120-N124 WeakPolarHBondContact CG2-ND2 3.33Å; I120-N124 WeakPolarHBondContact O-CB 3.29Å; I120-N124 PolarHBondContact O-N 3.33Å; I120-N124 PolarHBondContact O-ND2 3.49Å; A121-N124 PolarHBondContact O-N 3.09Å; Q122-N124 VanDerWaalsContact C-N 3.28Å; Q122-N124 PolarHBondContact O-N 2.95Å; N124-K128 WeakPolarHBondContact O-CG 3.4Å; N124-K128 PolarHBondContact O-N 2.91Å; N124-K128 VanDerWaalsContact O-N 3.14Å
125K93.5Very high91.9Very high141 Ų14198.7 Ų98.761%0.61351%0.514SS*.Hα-helixtrans-66.6-50.6173-175.5-175.2174.3-172.70110.5A121 Q122 L123 L127 K128 D129A121-K125 PolarHBondContact O-N 3.3Å; A121-K125 VanDerWaalsContact O-N 3.07Å; Q122-K125 WeakPolarHBondContact O-CA 3.13Å; Q122-K125 WeakPolarHBondContact O-CB 3.27Å; Q122-K125 PolarHBondContact O-N 3.21Å; L123-K125 VanDerWaalsContact C-N 3.34Å; K125-L127 VanDerWaalsContact C-N 3.29Å; K125-L127 PolarHBondContact O-N 3.39Å; K125-K128 WeakPolarHBondContact O-CA 3.22Å; K125-K128 WeakPolarHBondContact O-CB 3.42Å; K125-K128 PolarHBondContact O-N 3.49Å; K125-D129 PolarHBondContact O-N 3.5Å
126E91.4Very high92Very high89 Ų8996.7 Ų96.742%0.41651%0.506SS..Hα-helixtrans-59.3-39.2177.1-69.7174.8-165.800112Q122 L123 K128 D129 C130Q122-E126 PolarHBondContact NE2-OE1 3.35Å; Q122-E126 PolarHBondContact O-N 2.98Å; L123-E126 PolarHBondContact O-N 3.36Å; E126-K128 VanDerWaalsContact C-N 3.33Å; E126-K128 PolarHBondContact O-N 3.26Å; E126-D129 PolarHBondContact O-N 3.48Å; E126-C130 WeakPolarHBondContact O-CB 3.44Å; E126-C130 PolarHBondContact O-N 2.89Å; E126-C130 PolarHBondContact O-SG 2.94Å; E126-C130 VanDerWaalsContact O-SG 3.42Å
127L91.8Very high91.9Very high87 Ų8798.9 Ų98.946%0.45551%0.511SS..Hα-helixtrans-64-36174.6-175.467.2000112.6L123 K125 K131L123-L127 VanDerWaalsContact O-CB 3.27Å; L123-L127 WeakPolarHBondContact O-CB 3.46Å; L123-L127 PolarHBondContact O-N 3Å; K125-L127 VanDerWaalsContact C-N 3.29Å; K125-L127 PolarHBondContact O-N 3.39Å; L127-K131 HydrophobicContact CG-CD 4.48Å; L127-K131 WeakPolarHBondContact O-CB 3.42Å; L127-K131 VanDerWaalsContact O-CG 3.25Å; L127-K131 WeakPolarHBondContact O-CG 3.46Å; L127-K131 PolarHBondContact O-N 3.32Å; L127-K131 VanDerWaalsContact O-N 3.11Å
128K93.5Very high91.8Very high151 Ų151100 Ų10066%0.65751%0.513SS*.Hα-helixtrans-68.6-42.3175.1-76.8175.1-179.3-179.90111N124 K125 E126 K131 L132N124-K128 WeakPolarHBondContact O-CG 3.4Å; N124-K128 PolarHBondContact O-N 2.91Å; N124-K128 VanDerWaalsContact O-N 3.14Å; K125-K128 WeakPolarHBondContact O-CA 3.22Å; K125-K128 WeakPolarHBondContact O-CB 3.42Å; K125-K128 PolarHBondContact O-N 3.49Å; E126-K128 VanDerWaalsContact C-N 3.33Å; E126-K128 PolarHBondContact O-N 3.26Å; K128-K131 PolarHBondContact O-N 3.28Å; K128-L132 PolarHBondContact O-N 2.88Å
129D88.8Confident91.7Very high87 Ų87104.3 Ų104.347%0.46552%0.518SS..Hα-helixtrans-64.9-47.2179-65.8-19.5000110.9K125 E126 K131 L132 E133K125-D129 PolarHBondContact O-N 3.5Å; E126-D129 PolarHBondContact O-N 3.48Å; D129-K131 VanDerWaalsContact C-N 3.32Å; D129-K131 PolarHBondContact O-N 2.99Å; D129-L132 WeakPolarHBondContact O-CB 3.42Å; D129-L132 PolarHBondContact O-N 3.37Å; D129-E133 PolarHBondContact O-N 3.45Å
130C92.3Very high91.7Very high76 Ų76105 Ų10551%0.51452%0.518SS..Hα-helixtrans-58.5-40173.4-76.20000112.8E126 L132 E133 L134E126-C130 WeakPolarHBondContact O-CB 3.44Å; E126-C130 PolarHBondContact O-N 2.89Å; E126-C130 PolarHBondContact O-SG 2.94Å; E126-C130 VanDerWaalsContact O-SG 3.42Å; C130-L132 VanDerWaalsContact C-N 3.33Å; C130-E133 PolarHBondContact O-N 3.19Å; C130-L134 WeakPolarHBondContact O-CB 3.49Å; C130-L134 PolarHBondContact O-N 2.99Å
131K92.2Very high91.7Very high122 Ų122108.9 Ų108.953%0.5353%0.528SS..Hα-helixtrans-66.4-35.2175.8-80.4174.5179.7175.30112.2L127 K128 D129 K135L127-K131 HydrophobicContact CG-CD 4.48Å; L127-K131 WeakPolarHBondContact O-CB 3.42Å; L127-K131 VanDerWaalsContact O-CG 3.25Å; L127-K131 WeakPolarHBondContact O-CG 3.46Å; L127-K131 PolarHBondContact O-N 3.32Å; L127-K131 VanDerWaalsContact O-N 3.11Å; K128-K131 PolarHBondContact O-N 3.28Å; D129-K131 VanDerWaalsContact C-N 3.32Å; D129-K131 PolarHBondContact O-N 2.99Å; K131-K135 WeakPolarHBondContact O-CG 3.28Å; K131-K135 PolarHBondContact O-N 2.98Å
132L94Very high91.7Very high111 Ų111111.8 Ų111.858%0.58153%0.529SS*.Hα-helixtrans-68.4-47.4175.5-175.865.2000110.2K128 D129 C130 L134 K135 T136K128-L132 PolarHBondContact O-N 2.88Å; D129-L132 WeakPolarHBondContact O-CB 3.42Å; D129-L132 PolarHBondContact O-N 3.37Å; C130-L132 VanDerWaalsContact C-N 3.33Å; L132-L134 PolarHBondContact O-N 2.96Å; L132-K135 WeakPolarHBondContact O-CB 3.47Å; L132-K135 PolarHBondContact O-N 3.3Å; L132-K135 VanDerWaalsContact O-N 3.16Å; L132-T136 WeakPolarHBondContact O-CG2 3.36Å; L132-T136 PolarHBondContact O-N 3.48Å
133E93.2Very high91.5Very high118 Ų118109.9 Ų109.955%0.55152%0.521SS*.Hα-helixtrans-58.1-47.5177.5-171.1176.6-17500111.6D129 C130 K135 T136 L137D129-E133 PolarHBondContact O-N 3.45Å; C130-E133 PolarHBondContact O-N 3.19Å; E133-K135 VanDerWaalsContact C-N 3.3Å; E133-K135 PolarHBondContact O-N 3.41Å; E133-T136 WeakPolarHBondContact CA-OG1 3.35Å; E133-T136 WeakPolarHBondContact O-CA 3.49Å; E133-T136 PolarHBondContact O-N 2.98Å; E133-T136 PolarHBondContact O-OG1 3.36Å; E133-L137 HydrophobicContact CG-CD1 4.42Å; E133-L137 PolarHBondContact O-N 2.88Å
134L92.5Very high91.2Very high118 Ų118110.8 Ų110.862%0.61852%0.523SS*.Hα-helixtrans-57.3-41.7176.3-178.563.1000112.5C130 L132 T136 L137 Q138C130-L134 WeakPolarHBondContact O-CB 3.49Å; C130-L134 PolarHBondContact O-N 2.99Å; L132-L134 PolarHBondContact O-N 2.96Å; L134-T136 VanDerWaalsContact C-N 3.34Å; L134-L137 PolarHBondContact O-N 3.34Å; L134-Q138 WeakPolarHBondContact O-CB 3.43Å; L134-Q138 PolarHBondContact O-N 3.4Å
135K93.3Very high90.8Very high132 Ų132109.1 Ų109.157%0.57452%0.521SS*.Hα-helixtrans-64.9-37.8175.6-76.2176.9179.1178.40111.8K131 L132 E133 R139K131-K135 WeakPolarHBondContact O-CG 3.28Å; K131-K135 PolarHBondContact O-N 2.98Å; L132-K135 WeakPolarHBondContact O-CB 3.47Å; L132-K135 PolarHBondContact O-N 3.3Å; L132-K135 VanDerWaalsContact O-N 3.16Å; E133-K135 VanDerWaalsContact C-N 3.3Å; E133-K135 PolarHBondContact O-N 3.41Å; K135-R139 WeakPolarHBondContact O-CG 3.47Å; K135-R139 PolarHBondContact O-N 3.5Å; K135-R139 VanDerWaalsContact O-N 3.11Å
136T93.2Very high90.4Very high60 Ų60106.8 Ų106.837%0.36852%0.518SS..Hα-helixtrans-67.3-43.6176.662.80000112L132 E133 L134 Q138 R139 Q140L132-T136 WeakPolarHBondContact O-CG2 3.36Å; L132-T136 PolarHBondContact O-N 3.48Å; E133-T136 WeakPolarHBondContact CA-OG1 3.35Å; E133-T136 WeakPolarHBondContact O-CA 3.49Å; E133-T136 PolarHBondContact O-N 2.98Å; E133-T136 PolarHBondContact O-OG1 3.36Å; L134-T136 VanDerWaalsContact C-N 3.34Å; T136-Q138 PolarHBondContact O-N 2.82Å; T136-R139 WeakPolarHBondContact O-CB 3.4Å; T136-R139 PolarHBondContact O-N 3.29Å; T136-Q140 WeakPolarHBondContact O-CG 3.43Å; T136-Q140 PolarHBondContact O-N 3.48Å
137L90.8Very high90.2Very high90 Ų90110.4 Ų110.447%0.47153%0.528SS..Hα-helixtrans-62-42.3175.1-73.1173.5000111.9E133 L134 R139 Q140 Y141E133-L137 HydrophobicContact CG-CD1 4.42Å; E133-L137 PolarHBondContact O-N 2.88Å; L134-L137 PolarHBondContact O-N 3.34Å; L137-R139 VanDerWaalsContact C-N 3.3Å; L137-R139 PolarHBondContact O-N 2.86Å; L137-Q140 PolarHBondContact O-N 2.75Å; L137-Y141 PolarHBondContact O-N 3.46Å
138Q90.6Very high89.8Confident111 Ų111111.8 Ų111.852%0.51954%0.535SS..Hα-helixtrans-62.1-37.6176.1-167.4-177.312.300112.1L134 T136 K142L134-Q138 WeakPolarHBondContact O-CB 3.43Å; L134-Q138 PolarHBondContact O-N 3.4Å; T136-Q138 PolarHBondContact O-N 2.82Å; Q138-K142 WeakPolarHBondContact O-CG 3.42Å; Q138-K142 PolarHBondContact O-N 2.9Å; Q138-K142 VanDerWaalsContact O-N 3.13Å
139R90.3Very high89.5Confident170 Ų170107.9 Ų107.964%0.64252%0.521SS*.Hα-helixtrans-65.7-44.7173.6-73.4173.2179.2-176.2-2.1111.4K135 T136 L137 K142 M143K135-R139 WeakPolarHBondContact O-CG 3.47Å; K135-R139 PolarHBondContact O-N 3.5Å; K135-R139 VanDerWaalsContact O-N 3.11Å; T136-R139 WeakPolarHBondContact O-CB 3.4Å; T136-R139 PolarHBondContact O-N 3.29Å; L137-R139 VanDerWaalsContact C-N 3.3Å; L137-R139 PolarHBondContact O-N 2.86Å; R139-K142 PolarHBondContact O-N 3.37Å; R139-M143 WeakPolarHBondContact O-CG 3.48Å; R139-M143 PolarHBondContact O-N 3.15Å
140Q91.6Very high89.4Confident110 Ų110110.6 Ų110.651%0.51453%0.529SS..Hα-helixtrans-61.6-43.5177.2-72.7-177.3-11.800112.1T136 L137 K142 M143 Q144T136-Q140 WeakPolarHBondContact O-CG 3.43Å; T136-Q140 PolarHBondContact O-N 3.48Å; L137-Q140 PolarHBondContact O-N 2.75Å; Q140-K142 PolarHBondContact O-N 2.92Å; Q140-M143 WeakPolarHBondContact O-CB 3.28Å; Q140-M143 PolarHBondContact O-N 3.49Å; Q140-Q144 WeakPolarHBondContact O-CG 3.23Å; Q140-Q144 PolarHBondContact O-N 3.39Å
141Y89.1Confident89.2Confident170 Ų170110.5 Ų110.567%0.66753%0.526SS*.Hα-helixtrans-61.3-45.2176.7-176-98000112.1L137 M143 Q144 A145L137-Y141 PolarHBondContact O-N 3.46Å; Y141-M143 VanDerWaalsContact C-N 3.32Å; Y141-M143 PolarHBondContact O-N 2.95Å; Y141-Q144 PolarHBondContact O-N 3.38Å; Y141-A145 WeakPolarHBondContact O-CB 3.35Å; Y141-A145 PolarHBondContact O-N 3.2Å
142K90.5Very high88.8Confident125 Ų125107.7 Ų107.754%0.54352%0.521SS..Hα-helixtrans-60.1-42.3175.2-74.8178.5179-177.60111.9Q138 R139 Q140 A145 V146Q138-K142 WeakPolarHBondContact O-CG 3.42Å; Q138-K142 PolarHBondContact O-N 2.9Å; Q138-K142 VanDerWaalsContact O-N 3.13Å; R139-K142 PolarHBondContact O-N 3.37Å; Q140-K142 PolarHBondContact O-N 2.92Å; K142-A145 PolarHBondContact O-N 2.9Å; K142-V146 WeakPolarHBondContact O-CG2 3.47Å; K142-V146 PolarHBondContact O-N 2.99Å; K142-V146 VanDerWaalsContact O-N 3.11Å
143M86Confident88.1Confident63 Ų63107.5 Ų107.531%0.3151%0.514SS..Hα-helixtrans-63.4-42.7176.3-78.7-65.4-65.600112.4R139 Q140 Y141 V146 R147 W569R139-M143 WeakPolarHBondContact O-CG 3.48Å; R139-M143 PolarHBondContact O-N 3.15Å; Q140-M143 WeakPolarHBondContact O-CB 3.28Å; Q140-M143 PolarHBondContact O-N 3.49Å; Y141-M143 VanDerWaalsContact C-N 3.32Å; Y141-M143 PolarHBondContact O-N 2.95Å; M143-V146 PolarHBondContact O-N 3.33Å; M143-R147 WeakPolarHBondContact O-CG 3.49Å; M143-R147 PolarHBondContact O-N 2.97Å; M143-W569 HydrophobicContact CE-CH2 4.14Å; M143-W569 HydrophobicContact CE-CZ2 4.2Å; M143-W569 HydrophobicContact SD-CH2 3.75Å; M143-W569 HydrophobicContact SD-CZ2 4.3Å
144Q86.4Confident87.9Confident113 Ų113105.3 Ų105.353%0.52851%0.505SS..Hα-helixtrans-65.9-41.4176.4-72.2-17720.100111.9Q140 Y141 V146 R147 L148Q140-Q144 WeakPolarHBondContact O-CG 3.23Å; Q140-Q144 PolarHBondContact O-N 3.39Å; Y141-Q144 PolarHBondContact O-N 3.38Å; Q144-V146 PolarHBondContact O-N 3.44Å; Q144-R147 PolarHBondContact O-N 3Å; Q144-L148 WeakPolarHBondContact O-CG 3.33Å; Q144-L148 PolarHBondContact O-N 2.94Å
145A82.9Confident87.6Confident48 Ų48108.1 Ų108.140%0.39751%0.507SS..Hα-helixtrans-59.3-43.7176.100000112.1Y141 K142 L148 D149Y141-A145 WeakPolarHBondContact O-CB 3.35Å; Y141-A145 PolarHBondContact O-N 3.2Å; K142-A145 PolarHBondContact O-N 2.9Å; A145-L148 PolarHBondContact O-N 2.98Å; A145-D149 WeakPolarHBondContact O-CB 3.38Å; A145-D149 PolarHBondContact O-N 3.25Å
146V85.3Confident87.2Confident91 Ų91107.5 Ų107.555%0.55251%0.505SS*.Hα-helixtrans-64.8-39.9175.8173.20000111.7K142 M143 Q144 D149 K150K142-V146 WeakPolarHBondContact O-CG2 3.47Å; K142-V146 PolarHBondContact O-N 2.99Å; K142-V146 VanDerWaalsContact O-N 3.11Å; M143-V146 PolarHBondContact O-N 3.33Å; Q144-V146 PolarHBondContact O-N 3.44Å; V146-D149 PolarHBondContact O-N 3.38Å; V146-K150 PolarHBondContact O-N 3.31Å
147R85.2Confident86.8Confident166 Ų166108.3 Ų108.363%0.62651%0.507SS*.Hα-helixtrans-64.4-44.5176.4-74.1175.9179.2177.1-0111.8M143 Q144 D149 K150 V151M143-R147 WeakPolarHBondContact O-CG 3.49Å; M143-R147 PolarHBondContact O-N 2.97Å; Q144-R147 PolarHBondContact O-N 3Å; R147-D149 VanDerWaalsContact C-N 3.34Å; R147-D149 PolarHBondContact O-N 3.33Å; R147-K150 PolarHBondContact O-N 2.9Å; R147-V151 VanDerWaalsContact O-CG2 3.31Å; R147-V151 WeakPolarHBondContact O-CG2 3.49Å; R147-V151 PolarHBondContact O-N 3.43Å
148L84.4Confident86.6Confident115 Ų115110.8 Ų110.860%0.60251%0.513SS*.Hα-helixtrans-64.6-37.9178.2-73.4173.5000112.3Q144 A145 V151 S152Q144-L148 WeakPolarHBondContact O-CG 3.33Å; Q144-L148 PolarHBondContact O-N 2.94Å; A145-L148 PolarHBondContact O-N 2.98Å; L148-V151 PolarHBondContact O-N 2.9Å; L148-S152 WeakPolarHBondContact O-CB 3.38Å; L148-S152 PolarHBondContact O-N 2.92Å; L148-S152 PolarHBondContact O-OG 3.43Å
149D86.3Confident86.2Confident70 Ų70113.5 Ų113.537%0.37452%0.519SS..Hα-helixtrans-67-42.6176.1-167.553.7000111.7A145 V146 R147 V151 S152 Y153 R288A145-D149 WeakPolarHBondContact O-CB 3.38Å; A145-D149 PolarHBondContact O-N 3.25Å; V146-D149 PolarHBondContact O-N 3.38Å; R147-D149 VanDerWaalsContact C-N 3.34Å; R147-D149 PolarHBondContact O-N 3.33Å; D149-V151 PolarHBondContact O-N 3.5Å; D149-S152 PolarHBondContact O-N 3.42Å; D149-Y153 WeakPolarHBondContact O-CB 3.39Å; D149-Y153 PolarHBondContact O-N 3.25Å; D149-R288 IonicContact OD2-CZ 3.16Å; D149-R288 IonicContact OD2-NH1 2.64Å; D149-R288 PolarHBondContact OD2-NH1 3.42Å; D149-R288 IonicContact OD2-NH2 2.77Å; D149-R288 PolarHBondContact OD2-NH2 3.41Å
150K87.2Confident85.7Confident144 Ų144110.5 Ų110.563%0.62651%0.512SS*.Hα-helixtrans-61.4-42.2173.6-171.3176-179.1179.40111.9V146 R147 Y153 I154V146-K150 PolarHBondContact O-N 3.31Å; R147-K150 PolarHBondContact O-N 2.9Å; K150-Y153 PolarHBondContact O-N 2.93Å; K150-I154 HydrophobicContact CG-CD1 3.93Å; K150-I154 WeakPolarHBondContact O-CB 3.48Å; K150-I154 WeakPolarHBondContact O-CG1 3.35Å; K150-I154 PolarHBondContact O-N 3.4Å
151V87.4Confident85.1Confident73 Ų73111.1 Ų111.144%0.44252%0.515SS..Hα-helixtrans-66-40.4176.6170.80000111.3R147 L148 D149 I154 R155R147-V151 VanDerWaalsContact O-CG2 3.31Å; R147-V151 WeakPolarHBondContact O-CG2 3.49Å; R147-V151 PolarHBondContact O-N 3.43Å; L148-V151 PolarHBondContact O-N 2.9Å; D149-V151 PolarHBondContact O-N 3.5Å; V151-I154 PolarHBondContact O-N 3.49Å; V151-R155 WeakPolarHBondContact O-CB 3.26Å; V151-R155 PolarHBondContact O-N 2.96Å
152S84Confident84.7Confident63 Ų63106.4 Ų106.444%0.44151%0.512SS..Hα-helixtrans-63.9-44.1177.3-60.30000111.3L148 D149 R155 F156L148-S152 WeakPolarHBondContact O-CB 3.38Å; L148-S152 PolarHBondContact O-N 2.92Å; L148-S152 PolarHBondContact O-OG 3.43Å; D149-S152 PolarHBondContact O-N 3.42Å; S152-R155 PolarHBondContact O-N 3.14Å; S152-F156 PolarHBondContact O-N 2.91Å
153Y81Confident84.5Confident107 Ų107103.4 Ų103.442%0.4250%0.501SS..Hα-helixtrans-62.8-46.3174.5-176.7-102.9000112.3D149 K150 R155 F156 L157D149-Y153 WeakPolarHBondContact O-CB 3.39Å; D149-Y153 PolarHBondContact O-N 3.25Å; K150-Y153 PolarHBondContact O-N 2.93Å; Y153-R155 VanDerWaalsContact C-N 3.31Å; Y153-R155 PolarHBondContact O-N 3.01Å; Y153-F156 WeakPolarHBondContact O-CB 3.45Å; Y153-F156 PolarHBondContact O-N 3.07Å; Y153-L157 HydrophobicContact CD1-CD1 3.9Å; Y153-L157 HydrophobicContact CD1-CG 4.37Å; Y153-L157 HydrophobicContact CE1-CD1 3.31Å; Y153-L157 HydrophobicContact CE1-CG 3.98Å; Y153-L157 PolarHBondContact O-N 3.06Å
154I86.9Confident84.3Confident73 Ų73105.5 Ų105.537%0.37451%0.512SS..Hα-helixtrans-61.6-40.4176.1-70.2166.9000111K150 V151 F156 L157 K158K150-I154 HydrophobicContact CG-CD1 3.93Å; K150-I154 WeakPolarHBondContact O-CB 3.48Å; K150-I154 WeakPolarHBondContact O-CG1 3.35Å; K150-I154 PolarHBondContact O-N 3.4Å; V151-I154 PolarHBondContact O-N 3.49Å; I154-F156 VanDerWaalsContact C-N 3.34Å; I154-L157 PolarHBondContact O-N 3.34Å; I154-K158 HydrophobicContact CG2-CD 4.29Å; I154-K158 HydrophobicContact CG2-CG 4.44Å; I154-K158 WeakPolarHBondContact O-CB 3.48Å; I154-K158 WeakPolarHBondContact O-CG 3.48Å; I154-K158 PolarHBondContact O-N 3.36Å
155R88.1Confident84.4Confident176 Ų176103.7 Ų103.766%0.66451%0.51SS*.Hα-helixtrans-64.2-40.1176.4-173.2-174.4-67.1159.8-1.9111.5V151 S152 Y153 R159V151-R155 WeakPolarHBondContact O-CB 3.26Å; V151-R155 PolarHBondContact O-N 2.96Å; S152-R155 PolarHBondContact O-N 3.14Å; Y153-R155 VanDerWaalsContact C-N 3.31Å; Y153-R155 PolarHBondContact O-N 3.01Å; R155-R159 WeakPolarHBondContact O-CB 3.38Å; R155-R159 PolarHBondContact O-N 3.07Å
156F84.9Confident84.6Confident119 Ų119108.2 Ų108.252%0.52252%0.523SS..Hα-helixtrans-62.5-47.4174.7177.7-96.5000111.6S152 Y153 I154 K158 R159 Q160S152-F156 PolarHBondContact O-N 2.91Å; Y153-F156 WeakPolarHBondContact O-CB 3.45Å; Y153-F156 PolarHBondContact O-N 3.07Å; I154-F156 VanDerWaalsContact C-N 3.34Å; F156-K158 PolarHBondContact O-N 3.41Å; F156-R159 WeakPolarHBondContact O-CB 3.31Å; F156-R159 PolarHBondContact O-N 3.25Å; F156-Q160 HydrophobicContact CD1-CG 4.4Å; F156-Q160 HydrophobicContact CE1-CG 3.95Å; F156-Q160 HydrophobicContact CE2-CG 4.45Å; F156-Q160 HydrophobicContact CZ-CG 3.98Å; F156-Q160 WeakPolarHBondContact O-CG 3.43Å; F156-Q160 PolarHBondContact O-N 2.94Å
157L84.9Confident84.6Confident77 Ų77107.7 Ų107.740%0.40352%0.516SS..Hα-helixtrans-60.7-45.3176.4-71.9-179000112.2Y153 I154 R159 Q160 E161Y153-L157 HydrophobicContact CD1-CD1 3.9Å; Y153-L157 HydrophobicContact CD1-CG 4.37Å; Y153-L157 HydrophobicContact CE1-CD1 3.31Å; Y153-L157 HydrophobicContact CE1-CG 3.98Å; Y153-L157 PolarHBondContact O-N 3.06Å; I154-L157 PolarHBondContact O-N 3.34Å; L157-R159 VanDerWaalsContact C-N 3.25Å; L157-R159 PolarHBondContact O-N 3.06Å; L157-Q160 PolarHBondContact O-N 2.91Å; L157-E161 WeakPolarHBondContact O-CB 3.47Å; L157-E161 PolarHBondContact O-N 3.42Å
158K85.2Confident84.7Confident142 Ų142102.9 Ų102.962%0.61751%0.505SS*.Hα-helixtrans-62-32.4176.4-76.1-173.1175.4-167.70113I154 F156 A162I154-K158 HydrophobicContact CG2-CD 4.29Å; I154-K158 HydrophobicContact CG2-CG 4.44Å; I154-K158 WeakPolarHBondContact O-CB 3.48Å; I154-K158 WeakPolarHBondContact O-CG 3.48Å; I154-K158 PolarHBondContact O-N 3.36Å; F156-K158 PolarHBondContact O-N 3.41Å; K158-A162 VanDerWaalsContact O-CB 3.3Å; K158-A162 WeakPolarHBondContact O-CB 3.37Å; K158-A162 PolarHBondContact O-N 3.04Å
159R82.7Confident85Confident168 Ų168102.7 Ų102.763%0.63450%0.504SS*.Hα-helixtrans-69.6-45175.4-170.9176.1-176.8-1710.6111.3R155 F156 L157 E161 A162 D163R155-R159 WeakPolarHBondContact O-CB 3.38Å; R155-R159 PolarHBondContact O-N 3.07Å; F156-R159 WeakPolarHBondContact O-CB 3.31Å; F156-R159 PolarHBondContact O-N 3.25Å; L157-R159 VanDerWaalsContact C-N 3.25Å; L157-R159 PolarHBondContact O-N 3.06Å; R159-E161 VanDerWaalsContact C-N 3.31Å; R159-E161 PolarHBondContact O-N 3.38Å; R159-A162 PolarHBondContact O-N 3.03Å; R159-D163 PolarHBondContact O-N 3.46Å; R159-D163 VanDerWaalsContact O-N 3.17Å
160Q80.5Confident85.3Confident108 Ų108106.8 Ų106.851%0.50552%0.515SS..Hα-helixtrans-62.9-39.2175.3-67.5-7476.500111.8F156 L157 D163 M164F156-Q160 HydrophobicContact CD1-CG 4.4Å; F156-Q160 HydrophobicContact CE1-CG 3.95Å; F156-Q160 HydrophobicContact CE2-CG 4.45Å; F156-Q160 HydrophobicContact CZ-CG 3.98Å; F156-Q160 WeakPolarHBondContact O-CG 3.43Å; F156-Q160 PolarHBondContact O-N 2.94Å; L157-Q160 PolarHBondContact O-N 2.91Å; Q160-D163 PolarHBondContact O-N 3.29Å; Q160-M164 PolarHBondContact O-N 3.3Å
161E79.2Confident85.5Confident123 Ų123103.8 Ų103.858%0.57551%0.505SS*.Hα-helixtrans-67.8-34.6176.3-167.2173.8-168.300111.9L157 R159 D163 M164 P165L157-E161 WeakPolarHBondContact O-CB 3.47Å; L157-E161 PolarHBondContact O-N 3.42Å; R159-E161 VanDerWaalsContact C-N 3.31Å; R159-E161 PolarHBondContact O-N 3.38Å; E161-D163 VanDerWaalsContact C-N 3.33Å; E161-D163 PolarHBondContact O-N 3.48Å; E161-M164 HydrophobicContact CG-CE 4.26Å; E161-M164 WeakPolarHBondContact O-CB 3.49Å; E161-M164 PolarHBondContact O-N 3.48Å; E161-P165 VanDerWaalsContact O-CD 3.3Å; E161-P165 WeakPolarHBondContact O-CD 3.33Å
162A80.7Confident85.6Confident71 Ų71103.6 Ų103.659%0.58750%0.502SS*.Hα-helixtrans-68.4-28.7174.700000113.5K158 R159 P165K158-A162 VanDerWaalsContact O-CB 3.3Å; K158-A162 WeakPolarHBondContact O-CB 3.37Å; K158-A162 PolarHBondContact O-N 3.04Å; R159-A162 PolarHBondContact O-N 3.03Å; A162-P165 WeakPolarHBondContact O-CD 3.49Å
163D85.7Confident86Confident61 Ų61103.7 Ų103.733%0.32650%0.502SS..Hα-helixtrans-81.5-18.3177.5-66.2-21.1000112.3R159 Q160 E161 Q166 I167R159-D163 PolarHBondContact O-N 3.46Å; R159-D163 VanDerWaalsContact O-N 3.17Å; Q160-D163 PolarHBondContact O-N 3.29Å; E161-D163 VanDerWaalsContact C-N 3.33Å; E161-D163 PolarHBondContact O-N 3.48Å; D163-Q166 PolarHBondContact O-N 3Å; D163-I167 HydrophobicContact CB-CD1 4.49Å; D163-I167 WeakPolarHBondContact O-CG1 3.41Å; D163-I167 PolarHBondContact O-N 3.36Å; D163-I167 VanDerWaalsContact O-N 3.1Å
164M80.9Confident86.5Confident108 Ų108103.8 Ų103.853%0.53251%0.506SS..Hα-helixtrans-61.5-44.6-175.9-173.9168.459.900113.8Q160 E161 Q166 I167 V168Q160-M164 PolarHBondContact O-N 3.3Å; E161-M164 HydrophobicContact CG-CE 4.26Å; E161-M164 WeakPolarHBondContact O-CB 3.49Å; E161-M164 PolarHBondContact O-N 3.48Å; M164-Q166 VanDerWaalsContact C-N 3.33Å; M164-Q166 PolarHBondContact O-N 3.03Å; M164-I167 PolarHBondContact O-N 3.35Å; M164-V168 HydrophobicContact CG-CG2 4.42Å; M164-V168 VanDerWaalsContact O-CG2 3.31Å; M164-V168 WeakPolarHBondContact O-CG2 3.46Å; M164-V168 PolarHBondContact O-N 2.99Å
165P88Confident86.5Confident75 Ų75104.3 Ų104.349%0.48751%0.509SS..Hα-helixtrans-57.3-42.5174.4-26.135000113.2E161 A162 I167 V168 D169E161-P165 VanDerWaalsContact O-CD 3.3Å; E161-P165 WeakPolarHBondContact O-CD 3.33Å; A162-P165 WeakPolarHBondContact O-CD 3.49Å; P165-I167 VanDerWaalsContact C-N 3.34Å; P165-I167 PolarHBondContact O-N 3.22Å; P165-V168 PolarHBondContact O-N 3.45Å; P165-D169 WeakPolarHBondContact O-CB 3.5Å; P165-D169 PolarHBondContact O-N 3.32Å
166Q88Confident86.6Confident143 Ų143104.2 Ų104.267%0.66851%0.509SS*.Hα-helixtrans-65.9-38179.2-169.7179.916.700111.9D163 M164 R170D163-Q166 PolarHBondContact O-N 3Å; M164-Q166 VanDerWaalsContact C-N 3.33Å; M164-Q166 PolarHBondContact O-N 3.03Å; Q166-R170 WeakPolarHBondContact O-CB 3.47Å; Q166-R170 PolarHBondContact O-N 3.5Å
167I86.2Confident86.8Confident79 Ų79102 Ų10241%0.40551%0.505SS..Hα-helixtrans-65.4-43.7174.6-66166.3000110.4D163 M164 P165 R170 L171D163-I167 HydrophobicContact CB-CD1 4.49Å; D163-I167 WeakPolarHBondContact O-CG1 3.41Å; D163-I167 PolarHBondContact O-N 3.36Å; D163-I167 VanDerWaalsContact O-N 3.1Å; M164-I167 PolarHBondContact O-N 3.35Å; P165-I167 VanDerWaalsContact C-N 3.34Å; P165-I167 PolarHBondContact O-N 3.22Å; I167-R170 PolarHBondContact O-N 3Å; I167-L171 HydrophobicContact CG2-CD1 4.08Å; I167-L171 WeakPolarHBondContact O-CG 3.26Å; I167-L171 PolarHBondContact O-N 2.87Å
168V86.5Confident86.9Confident66 Ų66102.5 Ų102.540%0.451%0.508SS..Hα-helixtrans-62.5-45.8177.4169.60000111M164 P165 R170 L171 N172M164-V168 HydrophobicContact CG-CG2 4.42Å; M164-V168 VanDerWaalsContact O-CG2 3.31Å; M164-V168 WeakPolarHBondContact O-CG2 3.46Å; M164-V168 PolarHBondContact O-N 2.99Å; P165-V168 PolarHBondContact O-N 3.45Å; V168-R170 VanDerWaalsContact C-N 3.34Å; V168-R170 PolarHBondContact O-N 2.66Å; V168-L171 PolarHBondContact O-N 3.45Å; V168-N172 WeakPolarHBondContact CG1-ND2 3.33Å; V168-N172 WeakPolarHBondContact O-CB 3.35Å; V168-N172 PolarHBondContact O-N 3.4Å; V168-N172 PolarHBondContact O-ND2 3.49Å
169D90.2Very high87Confident110 Ų110100.2 Ų100.259%0.58850%0.499SS*.Hα-helixtrans-61.5-42.5177.3-74.6-19.6000111.9P165 N172 S173P165-D169 WeakPolarHBondContact O-CB 3.5Å; P165-D169 PolarHBondContact O-N 3.32Å; D169-N172 PolarHBondContact O-N 2.89Å; D169-S173 PolarHBondContact O-N 3.49Å
170R92.9Very high87.4Confident157 Ų15796.6 Ų96.659%0.59249%0.491SS*.Hα-helixtrans-60.1-49.4174.6-170.1-175.776.6-161.81.9111.3Q166 I167 V168 N172 S173 E174Q166-R170 WeakPolarHBondContact O-CB 3.47Å; Q166-R170 PolarHBondContact O-N 3.5Å; I167-R170 PolarHBondContact O-N 3Å; V168-R170 VanDerWaalsContact C-N 3.34Å; V168-R170 PolarHBondContact O-N 2.66Å; R170-N172 VanDerWaalsContact C-N 3.34Å; R170-N172 PolarHBondContact O-N 2.91Å; R170-S173 PolarHBondContact O-N 3.21Å; R170-S173 PolarHBondContact O-OG 3.43Å; R170-E174 PolarHBondContact O-N 3.06Å; R170-E174 VanDerWaalsContact O-N 3.08Å
171L91.9Very high87.7Confident80 Ų8098.2 Ų98.242%0.41949%0.493SS..Hα-helixtrans-62.6-40.6178.9-72.1172.5000111.8I167 V168 S173 E174 I175I167-L171 HydrophobicContact CG2-CD1 4.08Å; I167-L171 WeakPolarHBondContact O-CG 3.26Å; I167-L171 PolarHBondContact O-N 2.87Å; V168-L171 PolarHBondContact O-N 3.45Å; L171-S173 VanDerWaalsContact C-N 3.32Å; L171-S173 PolarHBondContact O-N 2.96Å; L171-E174 PolarHBondContact O-N 3.49Å; L171-I175 WeakPolarHBondContact O-CG1 3.47Å; L171-I175 PolarHBondContact O-N 3.2Å
172N89.8Confident87.9Confident70 Ų7098 Ų9837%0.37450%0.495SS..Hα-helixtrans-62.2-39.1175.4-78.1-29.7000112.1V168 D169 R170 I175 R176V168-N172 WeakPolarHBondContact CG1-ND2 3.33Å; V168-N172 WeakPolarHBondContact O-CB 3.35Å; V168-N172 PolarHBondContact O-N 3.4Å; V168-N172 PolarHBondContact O-ND2 3.49Å; D169-N172 PolarHBondContact O-N 2.89Å; R170-N172 VanDerWaalsContact C-N 3.34Å; R170-N172 PolarHBondContact O-N 2.91Å; N172-I175 PolarHBondContact O-N 3.31Å; N172-R176 WeakPolarHBondContact O-CG 3.31Å; N172-R176 PolarHBondContact O-N 3.45Å
173S92.3Very high88.3Confident64 Ų64101.9 Ų101.945%0.44850%0.495SS..Hα-helixtrans-65.4-37.8175.478.10000112.6D169 R170 L171 R176 T177D169-S173 PolarHBondContact O-N 3.49Å; R170-S173 PolarHBondContact O-N 3.21Å; R170-S173 PolarHBondContact O-OG 3.43Å; L171-S173 VanDerWaalsContact C-N 3.32Å; L171-S173 PolarHBondContact O-N 2.96Å; S173-R176 PolarHBondContact O-N 3.47Å; S173-T177 PolarHBondContact O-N 2.88Å; S173-T177 PolarHBondContact O-OG1 3.28Å
174E91Very high88.3Confident109 Ų109103.6 Ų103.651%0.50950%0.504SS..Hα-helixtrans-68.8-42.7177.3-171.1171.6-176.900111.2R170 L171 R176 T177 L178R170-E174 PolarHBondContact O-N 3.06Å; R170-E174 VanDerWaalsContact O-N 3.08Å; L171-E174 PolarHBondContact O-N 3.49Å; E174-R176 PolarHBondContact O-N 2.9Å; E174-T177 WeakPolarHBondContact O-CB 3.38Å; E174-T177 PolarHBondContact O-N 3.22Å; E174-L178 HydrophobicContact CG-CD1 4.32Å; E174-L178 WeakPolarHBondContact O-CG 3.42Å; E174-L178 PolarHBondContact O-N 3.39Å
175I87.2Confident88.7Confident85 Ų85105.3 Ų105.344%0.43651%0.508SS..Hα-helixtrans-58.1-47.6173.8-70.7167.4000110.8L171 N172 T177 L178 Q179L171-I175 WeakPolarHBondContact O-CG1 3.47Å; L171-I175 PolarHBondContact O-N 3.2Å; N172-I175 PolarHBondContact O-N 3.31Å; I175-T177 VanDerWaalsContact C-N 3.3Å; I175-T177 PolarHBondContact O-N 3.08Å; I175-L178 PolarHBondContact O-N 3.05Å; I175-Q179 HydrophobicContact CG2-CG 4.4Å; I175-Q179 WeakPolarHBondContact O-CB 3.48Å; I175-Q179 VanDerWaalsContact O-CG 3.31Å; I175-Q179 WeakPolarHBondContact O-CG 3.28Å; I175-Q179 PolarHBondContact O-N 3.46Å
176R89.3Confident88.5Confident173 Ų173106 Ų10665%0.65351%0.511SS*.Hα-helixtrans-59.9-42177.1-71.3179.4-164175.85.9111.7N172 S173 E174 Q179 I180N172-R176 WeakPolarHBondContact O-CG 3.31Å; N172-R176 PolarHBondContact O-N 3.45Å; S173-R176 PolarHBondContact O-N 3.47Å; E174-R176 PolarHBondContact O-N 2.9Å; R176-Q179 PolarHBondContact O-N 3.26Å; R176-I180 WeakPolarHBondContact O-CG1 3.47Å; R176-I180 PolarHBondContact O-N 2.92Å
177T89.1Confident88.5Confident74 Ų74104.8 Ų104.845%0.45451%0.509SS..Hα-helixtrans-63.4-43.6177.7-57.40000111.7S173 E174 I175 I180 R181S173-T177 PolarHBondContact O-N 2.88Å; S173-T177 PolarHBondContact O-OG1 3.28Å; E174-T177 WeakPolarHBondContact O-CB 3.38Å; E174-T177 PolarHBondContact O-N 3.22Å; I175-T177 VanDerWaalsContact C-N 3.3Å; I175-T177 PolarHBondContact O-N 3.08Å; T177-I180 PolarHBondContact O-N 3.09Å; T177-R181 PolarHBondContact O-N 3.14Å
178L88.6Confident88.5Confident87 Ų87106 Ų10646%0.45551%0.512SS..Hα-helixtrans-65.5-39.4176.8-72172.5000112.1E174 I175 R181 L182E174-L178 HydrophobicContact CG-CD1 4.32Å; E174-L178 WeakPolarHBondContact O-CG 3.42Å; E174-L178 PolarHBondContact O-N 3.39Å; I175-L178 PolarHBondContact O-N 3.05Å; L178-R181 PolarHBondContact O-N 3.49Å; L178-L182 WeakPolarHBondContact O-CB 3.31Å; L178-L182 PolarHBondContact O-N 3.39Å
179Q87Confident88.4Confident94 Ų94106.4 Ų106.444%0.43952%0.518SS..Hα-helixtrans-63.5-42.9175.8-74.7174.7-19.800112.4I175 R176 L182 R183I175-Q179 HydrophobicContact CG2-CG 4.4Å; I175-Q179 WeakPolarHBondContact O-CB 3.48Å; I175-Q179 VanDerWaalsContact O-CG 3.31Å; I175-Q179 WeakPolarHBondContact O-CG 3.28Å; I175-Q179 PolarHBondContact O-N 3.46Å; R176-Q179 PolarHBondContact O-N 3.26Å; Q179-L182 PolarHBondContact O-N 2.75Å; Q179-R183 WeakPolarHBondContact O-CG 3.4Å; Q179-R183 PolarHBondContact O-N 3.27Å
180I89.6Confident88.1Confident91 Ų91104.1 Ų104.147%0.46751%0.511SS..Hα-helixtrans-60.7-50.8174.9-67.8165.5000109.8R176 T177 L182 R183 D184R176-I180 WeakPolarHBondContact O-CG1 3.47Å; R176-I180 PolarHBondContact O-N 2.92Å; T177-I180 PolarHBondContact O-N 3.09Å; I180-L182 VanDerWaalsContact C-N 3.26Å; I180-L182 PolarHBondContact O-N 3.41Å; I180-R183 WeakPolarHBondContact O-CB 3.41Å; I180-R183 PolarHBondContact O-N 3.39Å; I180-D184 PolarHBondContact O-N 3.46Å
181R87Confident87.6Confident142 Ų14298.4 Ų98.454%0.53650%0.497SS..Hα-helixtrans-58.8-37.7179.2-170.9-176.7-64.2151.11.3112.4T177 L178 K185T177-R181 PolarHBondContact O-N 3.14Å; L178-R181 PolarHBondContact O-N 3.49Å; R181-K185 WeakPolarHBondContact O-CB 3.4Å; R181-K185 WeakPolarHBondContact O-CG 3.36Å; R181-K185 PolarHBondContact O-N 3.42Å
182L85.1Confident87.4Confident118 Ų11898.1 Ų98.162%0.61850%0.496SS*.Hα-helixtrans-64.8-44.5176-176.364.5000111.4L178 Q179 I180 K185 T186L178-L182 WeakPolarHBondContact O-CB 3.31Å; L178-L182 PolarHBondContact O-N 3.39Å; Q179-L182 PolarHBondContact O-N 2.75Å; I180-L182 VanDerWaalsContact C-N 3.26Å; I180-L182 PolarHBondContact O-N 3.41Å; L182-K185 PolarHBondContact O-N 3.36Å; L182-T186 PolarHBondContact O-N 3.27Å; L182-T186 PolarHBondContact O-OG1 3.04Å
183R88.6Confident87Confident154 Ų154100 Ų10058%0.58150%0.502SS*.Hα-helixtrans-60.5-45.5175.9-71.1-177.5-171.3120.10.1111.8Q179 I180 K185 T186 L187Q179-R183 WeakPolarHBondContact O-CG 3.4Å; Q179-R183 PolarHBondContact O-N 3.27Å; I180-R183 WeakPolarHBondContact O-CB 3.41Å; I180-R183 PolarHBondContact O-N 3.39Å; R183-K185 VanDerWaalsContact C-N 3.33Å; R183-K185 PolarHBondContact O-N 3.14Å; R183-T186 PolarHBondContact O-N 3.28Å; R183-L187 WeakPolarHBondContact O-CG 3.31Å; R183-L187 PolarHBondContact O-N 3.35Å
184D86Confident86.8Confident96 Ų96105 Ų10551%0.51351%0.511SS..Hα-helixtrans-60.9-42.9178.4-64.8-19.8000111.5I180 L187 Q188I180-D184 PolarHBondContact O-N 3.46Å; D184-L187 PolarHBondContact O-N 2.95Å; D184-Q188 WeakPolarHBondContact O-CB 3.47Å; D184-Q188 PolarHBondContact O-N 2.92Å
185K88.2Confident86.8Confident145 Ų145106.1 Ų106.163%0.6352%0.515SS*.Hα-helixtrans-66.5-36.7176.4-73-66.8-176.3-176.30112.7R181 L182 R183 Q188 S189R181-K185 WeakPolarHBondContact O-CB 3.4Å; R181-K185 WeakPolarHBondContact O-CG 3.36Å; R181-K185 PolarHBondContact O-N 3.42Å; L182-K185 PolarHBondContact O-N 3.36Å; R183-K185 VanDerWaalsContact C-N 3.33Å; R183-K185 PolarHBondContact O-N 3.14Å; K185-Q188 PolarHBondContact O-N 3.01Å; K185-S189 WeakPolarHBondContact O-CB 3.5Å; K185-S189 PolarHBondContact O-N 3.27Å
186T84.4Confident86.7Confident88 Ų88105.9 Ų105.954%0.5451%0.514SS..Hα-helixtrans-66.7-42.8174.4-61.30000111.7L182 R183 S189 S190L182-T186 PolarHBondContact O-N 3.27Å; L182-T186 PolarHBondContact O-OG1 3.04Å; R183-T186 PolarHBondContact O-N 3.28Å; T186-S189 PolarHBondContact O-N 2.94Å; T186-S190 PolarHBondContact O-N 3.36Å
187L87.9Confident86.6Confident119 Ų119100.3 Ų100.362%0.62350%0.501SS*.Hα-helixtrans-62.7-42.7175.2-73173.3000111.6R183 D184 S190 A191R183-L187 WeakPolarHBondContact O-CG 3.31Å; R183-L187 PolarHBondContact O-N 3.35Å; D184-L187 PolarHBondContact O-N 2.95Å; L187-S190 PolarHBondContact O-N 3.38Å; L187-A191 PolarHBondContact O-N 3.16Å
188Q85.6Confident86.7Confident104 Ų104101.2 Ų101.249%0.48650%0.5SS..Hα-helixtrans-60.5-47.2174.8-174.260.948.800111.4D184 K185 S190 A191 D192D184-Q188 WeakPolarHBondContact O-CB 3.47Å; D184-Q188 PolarHBondContact O-N 2.92Å; K185-Q188 PolarHBondContact O-N 3.01Å; Q188-S190 VanDerWaalsContact C-N 3.32Å; Q188-S190 PolarHBondContact O-N 2.72Å; Q188-A191 WeakPolarHBondContact O-CB 3Å; Q188-A191 PolarHBondContact O-N 3.05Å; Q188-A191 VanDerWaalsContact O-N 3.15Å; Q188-D192 PolarHBondContact NE2-OD1 3.44Å; Q188-D192 PolarHBondContact NE2-OD2 3.46Å; Q188-D192 VanDerWaalsContact O-CG 3.27Å; Q188-D192 PolarHBondContact O-N 2.85Å
189S84.5Confident86.8Confident75 Ų75101.1 Ų101.152%0.52450%0.5SS..Hα-helixtrans-58.4-42.1176.8-177.10000112.3K185 T186 D192 Q193K185-S189 WeakPolarHBondContact O-CB 3.5Å; K185-S189 PolarHBondContact O-N 3.27Å; T186-S189 PolarHBondContact O-N 2.94Å; S189-D192 PolarHBondContact O-N 3.24Å; S189-Q193 WeakPolarHBondContact O-CB 3.42Å; S189-Q193 PolarHBondContact O-N 3.38Å
190S84.1Confident86.9Confident62 Ų62102.3 Ų102.343%0.43451%0.505SS..Hα-helixtrans-65.6-37.4175.6179.40000113.1T186 L187 Q188 R194T186-S190 PolarHBondContact O-N 3.36Å; L187-S190 PolarHBondContact O-N 3.38Å; Q188-S190 VanDerWaalsContact C-N 3.32Å; Q188-S190 PolarHBondContact O-N 2.72Å; S190-R194 PolarHBondContact O-N 3.02Å
191A83.3Confident87.1Confident36 Ų36104 Ų10430%0.29851%0.511SS..Hα-helixtrans-66.7-43.5174.200000111.7L187 Q188 R194 K195L187-A191 PolarHBondContact O-N 3.16Å; Q188-A191 WeakPolarHBondContact O-CB 3Å; Q188-A191 PolarHBondContact O-N 3.05Å; Q188-A191 VanDerWaalsContact O-N 3.15Å; A191-R194 PolarHBondContact O-N 3.44Å; A191-K195 PolarHBondContact O-N 3.38Å; A191-K195 VanDerWaalsContact O-N 3.09Å
192D86.8Confident87.3Confident75 Ų75103.9 Ų103.940%0.40151%0.511SS..Hα-helixtrans-64.2-41.4177.7-66.3-21.7000111.2Q188 S189 R194 K195 I196Q188-D192 PolarHBondContact NE2-OD1 3.44Å; Q188-D192 PolarHBondContact NE2-OD2 3.46Å; Q188-D192 VanDerWaalsContact O-CG 3.27Å; Q188-D192 PolarHBondContact O-N 2.85Å; S189-D192 PolarHBondContact O-N 3.24Å; D192-R194 PolarHBondContact O-N 2.91Å; D192-K195 WeakPolarHBondContact O-CB 3.47Å; D192-K195 PolarHBondContact O-N 3.32Å; D192-I196 WeakPolarHBondContact O-CG1 3.3Å; D192-I196 PolarHBondContact O-N 3.33Å
193Q82.1Confident87.5Confident108 Ų108101.7 Ų101.751%0.50550%0.499SS..Hα-helixtrans-61-42.4176-173.161.238.100112.1S189 K195 I196 S197S189-Q193 WeakPolarHBondContact O-CB 3.42Å; S189-Q193 PolarHBondContact O-N 3.38Å; Q193-K195 VanDerWaalsContact C-N 3.35Å; Q193-K195 PolarHBondContact O-N 2.94Å; Q193-I196 PolarHBondContact O-N 2.72Å; Q193-S197 PolarHBondContact O-N 3.38Å; Q193-S197 PolarHBondContact O-OG 2.85Å
194R87.9Confident87.7Confident169 Ų169101.3 Ų101.364%0.63850%0.498SS*.Hα-helixtrans-61.8-42.7175-77-175.1-73.8162.1-3.8111.9S190 A191 D192 I196 S197 E198S190-R194 PolarHBondContact O-N 3.02Å; A191-R194 PolarHBondContact O-N 3.44Å; D192-R194 PolarHBondContact O-N 2.91Å; R194-I196 VanDerWaalsContact C-N 3.34Å; R194-I196 PolarHBondContact O-N 3.06Å; R194-S197 PolarHBondContact O-N 3.27Å; R194-E198 PolarHBondContact O-N 2.97Å
195K90.6Very high88.1Confident134 Ų134101.2 Ų101.258%0.58350%0.498SS*.Hα-helixtrans-63.6-39.3176.8-171.4176.4-178.6178.80111.9A191 D192 Q193 E198 L199A191-K195 PolarHBondContact O-N 3.38Å; A191-K195 VanDerWaalsContact O-N 3.09Å; D192-K195 WeakPolarHBondContact O-CB 3.47Å; D192-K195 PolarHBondContact O-N 3.32Å; Q193-K195 VanDerWaalsContact C-N 3.35Å; Q193-K195 PolarHBondContact O-N 2.94Å; K195-E198 PolarHBondContact O-N 2.95Å; K195-L199 HydrophobicContact CG-CD1 4.36Å; K195-L199 WeakPolarHBondContact O-CB 3.32Å; K195-L199 VanDerWaalsContact O-CG 3.28Å; K195-L199 WeakPolarHBondContact O-CG 3.48Å; K195-L199 PolarHBondContact O-N 3.08Å
196I84.6Confident88.3Confident80 Ų8099.9 Ų99.941%0.4150%0.497SS..Hα-helixtrans-62.7-47.8174.7-70.6167000110.5D192 Q193 R194 E198 L199 Q200D192-I196 WeakPolarHBondContact O-CG1 3.3Å; D192-I196 PolarHBondContact O-N 3.33Å; Q193-I196 PolarHBondContact O-N 2.72Å; R194-I196 VanDerWaalsContact C-N 3.34Å; R194-I196 PolarHBondContact O-N 3.06Å; I196-E198 PolarHBondContact O-N 3.05Å; I196-L199 PolarHBondContact O-N 3.19Å; I196-Q200 HydrophobicContact CG2-CG 4.41Å; I196-Q200 WeakPolarHBondContact O-CG 3.37Å; I196-Q200 PolarHBondContact O-N 3.05Å
197S88.6Confident88.5Confident56 Ų56101 Ų10139%0.39250%0.496SS..Hα-helixtrans-62.7-39.4178.1-63.90000112.8Q193 R194 Q200 Q201Q193-S197 PolarHBondContact O-N 3.38Å; Q193-S197 PolarHBondContact O-OG 2.85Å; R194-S197 PolarHBondContact O-N 3.27Å; S197-Q200 PolarHBondContact O-N 3.2Å; S197-Q201 PolarHBondContact O-N 2.91Å
198E89.3Confident88.6Confident92 Ų92100.3 Ų100.343%0.4349%0.488SS..Hα-helixtrans-63.5-43.7174.4-172.5-173.5171.400111.8R194 K195 I196 Q201 R202R194-E198 PolarHBondContact O-N 2.97Å; K195-E198 PolarHBondContact O-N 2.95Å; I196-E198 PolarHBondContact O-N 3.05Å; E198-Q201 PolarHBondContact O-N 3.32Å; E198-R202 WeakPolarHBondContact O-CG 3.44Å; E198-R202 PolarHBondContact O-N 3.35Å; E198-R202 IonicContact OE1-CZ 3.31Å; E198-R202 VanDerWaalsContact OE1-CZ 3.31Å; E198-R202 IonicContact OE1-NE 3.36Å; E198-R202 PolarHBondContact OE1-NE 3.17Å; E198-R202 IonicContact OE1-NH2 2.65Å; E198-R202 PolarHBondContact OE1-NH2 3.1Å
199L92Very high88.8Confident86 Ų8698.3 Ų98.345%0.4548%0.483SS..Hα-helixtrans-64.3-40.6176.1-72.9172.7000111.8K195 I196 Q201 R202 I203K195-L199 HydrophobicContact CG-CD1 4.36Å; K195-L199 WeakPolarHBondContact O-CB 3.32Å; K195-L199 VanDerWaalsContact O-CG 3.28Å; K195-L199 WeakPolarHBondContact O-CG 3.48Å; K195-L199 PolarHBondContact O-N 3.08Å; I196-L199 PolarHBondContact O-N 3.19Å; L199-Q201 PolarHBondContact O-N 3.34Å; L199-R202 PolarHBondContact O-N 2.93Å; L199-I203 VanDerWaalsContact O-CG1 3.29Å; L199-I203 WeakPolarHBondContact O-CG1 3.3Å; L199-I203 PolarHBondContact O-N 3.46Å
200Q88.8Confident88.6Confident119 Ų11998.5 Ų98.556%0.55647%0.474SS*.Hα-helixtrans-60.8-43.3174.7-75174.3-32.100111.7I196 S197 I203 Y204I196-Q200 HydrophobicContact CG2-CG 4.41Å; I196-Q200 WeakPolarHBondContact O-CG 3.37Å; I196-Q200 PolarHBondContact O-N 3.05Å; S197-Q200 PolarHBondContact O-N 3.2Å; Q200-I203 PolarHBondContact O-N 3.06Å; Q200-Y204 WeakPolarHBondContact O-CB 3.43Å; Q200-Y204 PolarHBondContact O-N 3.44Å
201Q93.4Very high88.5Confident126 Ų126100.2 Ų100.259%0.58948%0.479SS*.Hα-helixtrans-63.7-41.1176-172.6179.210.500112S197 E198 L199 Y204 L205S197-Q201 PolarHBondContact O-N 2.91Å; E198-Q201 PolarHBondContact O-N 3.32Å; L199-Q201 PolarHBondContact O-N 3.34Å; Q201-Y204 PolarHBondContact O-N 3Å; Q201-L205 WeakPolarHBondContact O-CG 3.37Å; Q201-L205 PolarHBondContact O-N 3.3Å
202R91.1Very high88.4Confident140 Ų140103.8 Ų103.853%0.52849%0.489SS..Hα-helixtrans-64.1-42.6175.5-71.6176.3-175.5-156.82.2111.9E198 L199 L205 L206E198-R202 WeakPolarHBondContact O-CG 3.44Å; E198-R202 PolarHBondContact O-N 3.35Å; E198-R202 IonicContact OE1-CZ 3.31Å; E198-R202 VanDerWaalsContact OE1-CZ 3.31Å; E198-R202 IonicContact OE1-NE 3.36Å; E198-R202 PolarHBondContact OE1-NE 3.17Å; E198-R202 IonicContact OE1-NH2 2.65Å; E198-R202 PolarHBondContact OE1-NH2 3.1Å; L199-R202 PolarHBondContact O-N 2.93Å; R202-L205 PolarHBondContact O-N 3.44Å; R202-L206 WeakPolarHBondContact O-CB 3.5Å; R202-L206 VanDerWaalsContact O-CG 3.29Å; R202-L206 WeakPolarHBondContact O-CG 3.35Å; R202-L206 PolarHBondContact O-N 3.06Å
203I90.6Very high88.1Confident71 Ų71107.2 Ų107.236%0.36450%0.5SS..Hα-helixtrans-60.7-48.4175.8-70.9165.9000110L199 Q200 L205 L206 E207L199-I203 VanDerWaalsContact O-CG1 3.29Å; L199-I203 WeakPolarHBondContact O-CG1 3.3Å; L199-I203 PolarHBondContact O-N 3.46Å; Q200-I203 PolarHBondContact O-N 3.06Å; I203-L205 PolarHBondContact O-N 3.43Å; I203-L206 WeakPolarHBondContact O-CB 3.43Å; I203-L206 PolarHBondContact O-N 3.06Å; I203-L206 VanDerWaalsContact O-N 3.1Å; I203-E207 HydrophobicContact CG2-CG 4.25Å; I203-E207 WeakPolarHBondContact O-CG 3.35Å; I203-E207 PolarHBondContact O-N 3.2Å
204Y92.2Very high87.5Confident146 Ų146106.4 Ų106.457%0.57350%0.5SS*.Hα-helixtrans-58.1-43.6178174.6-100.6000113Q200 Q201 E207 K208Q200-Y204 WeakPolarHBondContact O-CB 3.43Å; Q200-Y204 PolarHBondContact O-N 3.44Å; Q201-Y204 PolarHBondContact O-N 3Å; Y204-E207 PolarHBondContact O-N 3.28Å; Y204-K208 WeakPolarHBondContact O-CB 3.28Å; Y204-K208 PolarHBondContact O-N 3.37Å
205L93.7Very high86.4Confident95 Ų95104.9 Ų104.950%0.49750%0.504SS..Hα-helixtrans-64.5-40.5175.5-72.6173.1000111.9Q201 R202 I203 K208 T209Q201-L205 WeakPolarHBondContact O-CG 3.37Å; Q201-L205 PolarHBondContact O-N 3.3Å; R202-L205 PolarHBondContact O-N 3.44Å; I203-L205 PolarHBondContact O-N 3.43Å; L205-K208 PolarHBondContact O-N 3.03Å; L205-T209 WeakPolarHBondContact O-CG2 3.35Å; L205-T209 PolarHBondContact O-N 3.44Å; L205-T209 PolarHBondContact O-OG1 3.14Å
206L93Very high84.9Confident116 Ų116107 Ų10761%0.60752%0.516SS*.Hα-helixtrans-64.9-45.3177-73.3170.7000111.7R202 I203 K208 T209 F210R202-L206 WeakPolarHBondContact O-CB 3.5Å; R202-L206 VanDerWaalsContact O-CG 3.29Å; R202-L206 WeakPolarHBondContact O-CG 3.35Å; R202-L206 PolarHBondContact O-N 3.06Å; I203-L206 WeakPolarHBondContact O-CB 3.43Å; I203-L206 PolarHBondContact O-N 3.06Å; I203-L206 VanDerWaalsContact O-N 3.1Å; L206-K208 VanDerWaalsContact C-N 3.34Å; L206-K208 PolarHBondContact O-N 2.92Å; L206-T209 WeakPolarHBondContact CA-OG1 3.45Å; L206-T209 PolarHBondContact O-N 3.34Å; L206-T209 PolarHBondContact O-OG1 3.38Å; L206-F210 WeakPolarHBondContact O-CB 3.47Å; L206-F210 PolarHBondContact O-N 3.47Å
207E89Confident83.4Confident111 Ų111105.6 Ų105.652%0.51951%0.514SS..Hα-helixtrans-57-47.8174.5-72.7173.7159.500110.7I203 Y204 T209 F210 D211I203-E207 HydrophobicContact CG2-CG 4.25Å; I203-E207 WeakPolarHBondContact O-CG 3.35Å; I203-E207 PolarHBondContact O-N 3.2Å; Y204-E207 PolarHBondContact O-N 3.28Å; E207-T209 PolarHBondContact O-N 2.82Å; E207-F210 WeakPolarHBondContact O-CB 3.49Å; E207-F210 PolarHBondContact O-N 3.07Å; E207-F210 VanDerWaalsContact O-N 3.12Å; E207-D211 PolarHBondContact O-N 3.49Å
208K90.4Very high81.5Confident105 Ų105110.6 Ų110.646%0.45753%0.531SS..Hα-helixtrans-58.9-46176.1-173.7179.7177.3-176.20112.7Y204 L205 L206 F210 D211 E212Y204-K208 WeakPolarHBondContact O-CB 3.28Å; Y204-K208 PolarHBondContact O-N 3.37Å; L205-K208 PolarHBondContact O-N 3.03Å; L206-K208 VanDerWaalsContact C-N 3.34Å; L206-K208 PolarHBondContact O-N 2.92Å; K208-F210 VanDerWaalsContact C-N 3.27Å; K208-F210 PolarHBondContact O-N 3.13Å; K208-D211 PolarHBondContact O-N 3.45Å; K208-E212 VanDerWaalsContact CE-OE1 3.3Å; K208-E212 WeakPolarHBondContact CE-OE1 3.36Å; K208-E212 WeakPolarHBondContact O-CG 3.37Å; K208-E212 PolarHBondContact O-N 3.46Å; K208-E212 VanDerWaalsContact O-N 3.1Å
209T88.7Confident79.8Confident62 Ų62116.8 Ų116.838%0.3855%0.552SS.*Hα-helixtrans-68.2-27.9177.559.60000112.9L205 L206 E207 K213L205-T209 WeakPolarHBondContact O-CG2 3.35Å; L205-T209 PolarHBondContact O-N 3.44Å; L205-T209 PolarHBondContact O-OG1 3.14Å; L206-T209 WeakPolarHBondContact CA-OG1 3.45Å; L206-T209 PolarHBondContact O-N 3.34Å; L206-T209 PolarHBondContact O-OG1 3.38Å; E207-T209 PolarHBondContact O-N 2.82Å; T209-K213 WeakPolarHBondContact O-CG 3.31Å; T209-K213 PolarHBondContact O-N 3.07Å; T209-K213 VanDerWaalsContact O-N 3.16Å
210F80.9Confident78Confident80 Ų80116.7 Ų116.735%0.35156%0.555SS.*Hα-helixtrans-70.9-45176-174-94000110.6L206 E207 K208 E212 K213 N214 L230L206-F210 WeakPolarHBondContact O-CB 3.47Å; L206-F210 PolarHBondContact O-N 3.47Å; E207-F210 WeakPolarHBondContact O-CB 3.49Å; E207-F210 PolarHBondContact O-N 3.07Å; E207-F210 VanDerWaalsContact O-N 3.12Å; K208-F210 VanDerWaalsContact C-N 3.27Å; K208-F210 PolarHBondContact O-N 3.13Å; F210-E212 VanDerWaalsContact C-N 3.35Å; F210-E212 PolarHBondContact O-N 3.42Å; F210-K213 PolarHBondContact O-N 2.95Å; F210-N214 HydrophobicContact CE1-CB 4.44Å; F210-N214 VanDerWaalsContact O-CB 3.29Å; F210-N214 WeakPolarHBondContact O-CB 3.46Å; F210-N214 PolarHBondContact O-N 3.45Å; F210-L230 HydrophobicContact CD1-CD2 4.14Å; F210-L230 HydrophobicContact CD2-CD2 4.27Å; F210-L230 HydrophobicContact CE1-CD2 3.52Å; F210-L230 HydrophobicContact CE2-CD2 3.69Å; F210-L230 HydrophobicContact CG-CD2 4.49Å; F210-L230 HydrophobicContact CZ-CD2 3.28Å
211D82Confident76.6Confident98 Ų98117.8 Ų117.852%0.52456%0.564SS.*Hα-helixtrans-62-40.9176.1-69.5-23000112E207 K208 N214 N215E207-D211 PolarHBondContact O-N 3.49Å; K208-D211 PolarHBondContact O-N 3.45Å; D211-N214 PolarHBondContact O-N 3.33Å; D211-N215 PolarHBondContact O-N 3.12Å; D211-N215 PolarHBondContact O-ND2 3.36Å; D211-N215 VanDerWaalsContact O-ND2 3.16Å
212E81.8Confident75.3Confident110 Ų110118.5 Ų118.551%0.51457%0.568SS.*Hα-helixtrans-62.3-42.1175.3-73.7171.1-171.600112.4K208 F210K208-E212 VanDerWaalsContact CE-OE1 3.3Å; K208-E212 WeakPolarHBondContact CE-OE1 3.36Å; K208-E212 WeakPolarHBondContact O-CG 3.37Å; K208-E212 PolarHBondContact O-N 3.46Å; K208-E212 VanDerWaalsContact O-N 3.1Å; F210-E212 VanDerWaalsContact C-N 3.35Å; F210-E212 PolarHBondContact O-N 3.42Å
213K80.2Confident74.3Confident148 Ų148113.1 Ų113.164%0.64356%0.556SS**Hα-helixtrans-73.1-37.8177.8-75.5-176.9178.5-177.80113T209 F210 N215 Q216 S217T209-K213 WeakPolarHBondContact O-CG 3.31Å; T209-K213 PolarHBondContact O-N 3.07Å; T209-K213 VanDerWaalsContact O-N 3.16Å; F210-K213 PolarHBondContact O-N 2.95Å; K213-N215 PolarHBondContact O-N 3.25Å; K213-Q216 PolarHBondContact O-N 3.35Å; K213-S217 PolarHBondContact O-N 3.35Å
214N69.2Low73.4Confident91 Ų91113.4 Ų113.449%0.48756%0.564SS.*Hα-helixtrans-64.5-27.9-179.8-164.733.8000111.8F210 D211 Q216F210-N214 HydrophobicContact CE1-CB 4.44Å; F210-N214 VanDerWaalsContact O-CB 3.29Å; F210-N214 WeakPolarHBondContact O-CB 3.46Å; F210-N214 PolarHBondContact O-N 3.45Å; D211-N214 PolarHBondContact O-N 3.33Å; N214-Q216 VanDerWaalsContact C-N 3.29Å; N214-Q216 PolarHBondContact O-N 3.17Å
215N64.9Low72.8Confident137 Ų137112.8 Ų112.873%0.73357%0.567SS**THydrogen-bonded Turntrans-72.6-16.2172.3-70.2-31.2000114.1D211 K213D211-N215 PolarHBondContact O-N 3.12Å; D211-N215 PolarHBondContact O-ND2 3.36Å; D211-N215 VanDerWaalsContact O-ND2 3.16Å; K213-N215 PolarHBondContact O-N 3.25Å
216Q58.6Low72.2Confident177 Ų177113.2 Ų113.283%0.82757%0.569SS**THydrogen-bonded Turntrans-101.3-21.6179.1-92.9179.3-500114.4K213 N214K213-Q216 PolarHBondContact O-N 3.35Å; N214-Q216 VanDerWaalsContact C-N 3.29Å; N214-Q216 PolarHBondContact O-N 3.17Å
217S53Low71.6Confident52 Ų52114.2 Ų114.236%0.36457%0.568SS.*  trans-100.423.3-168.669.70000115.5K213 Y219K213-S217 PolarHBondContact O-N 3.35Å; S217-Y219 PolarHBondContact O-N 3.49Å
218Q48.9Very low71.3Confident161 Ų161114.3 Ų114.375%0.75257%0.568SS**THydrogen-bonded Turntrans-69.517.6-171.6-141.4179.917.500116.2
219Y52.6Low71.2Confident221 Ų221114.6 Ų114.687%0.86757%0.571SS**THydrogen-bonded Turntrans-14220.2-177.4-74.6-73.3000116.9S217S217-Y219 PolarHBondContact O-N 3.49Å
220T55.1Low71.2Confident85 Ų85114.5 Ų114.552%0.52157%0.568SS.*  trans-132.4139.617760.20000113.1E222 G223T220-E222 PolarHBondContact O-N 3.48Å; T220-E222 VanDerWaalsContact O-N 3.13Å; T220-G223 PolarHBondContact O-N 3.29Å
221D59.5Low71.6Confident141 Ų141114.2 Ų114.275%0.75457%0.57SS**THydrogen-bonded Turntrans-60-20.2-179.5-158.610.5000112.7G223 S224D221-G223 PolarHBondContact O-N 3.1Å; D221-S224 WeakPolarHBondContact O-CB 3.45Å; D221-S224 PolarHBondContact O-N 3.23Å
222E65.9Low72Confident142 Ų142114 Ų11466%0.66457%0.568SS**Hα-helixtrans-60.5-26.6171.3-61.5-169.9171.600113.1T220 S224 Q225 L226T220-E222 PolarHBondContact O-N 3.48Å; T220-E222 VanDerWaalsContact O-N 3.13Å; E222-S224 VanDerWaalsContact C-N 3.28Å; E222-S224 PolarHBondContact O-N 3.39Å; E222-Q225 PolarHBondContact O-N 2.92Å; E222-L226 PolarHBondContact O-N 3.47Å; E222-L226 VanDerWaalsContact O-N 3.09Å
223G69.6Low72.6Confident27 Ų27114.3 Ų114.328%0.27857%0.573SS.*Hα-helixtrans-62.3-34.1176.400000113T220 D221 K227T220-G223 PolarHBondContact O-N 3.29Å; D221-G223 PolarHBondContact O-N 3.1Å; G223-K227 WeakPolarHBondContact O-CB 3.36Å; G223-K227 PolarHBondContact O-N 2.94Å
224S72.3Confident73.1Confident76 Ų76111 Ų11153%0.53157%0.565SS.*Hα-helixtrans-67.2-41.8178.3-54.80000111.5D221 E222 H228D221-S224 WeakPolarHBondContact O-CB 3.45Å; D221-S224 PolarHBondContact O-N 3.23Å; E222-S224 VanDerWaalsContact C-N 3.28Å; E222-S224 PolarHBondContact O-N 3.39Å; S224-H228 WeakPolarHBondContact O-CB 3.48Å; S224-H228 PolarHBondContact O-N 3.03Å
225Q79.7Confident74.3Confident134 Ų134113.6 Ų113.663%0.62657%0.572SS**Hα-helixtrans-71.2-42180-168.2174.99.800111.7E222 H228 Q229E222-Q225 PolarHBondContact O-N 2.92Å; Q225-H228 PolarHBondContact O-N 3.39Å; Q225-Q229 WeakPolarHBondContact O-CG 3.47Å; Q225-Q229 PolarHBondContact O-N 3.49Å
226L81.1Confident75.7Confident103 Ų103110.3 Ų110.354%0.53956%0.56SS.*Hα-helixtrans-64.4-41.1174.7-76.2168.7000111.8E222 H228 Q229 L230E222-L226 PolarHBondContact O-N 3.47Å; E222-L226 VanDerWaalsContact O-N 3.09Å; L226-H228 PolarHBondContact O-N 3.42Å; L226-Q229 PolarHBondContact O-N 3.25Å; L226-L230 WeakPolarHBondContact O-CB 3.4Å; L226-L230 PolarHBondContact O-N 2.88Å
227K80.4Confident77.3Confident137 Ų137106.1 Ų106.160%0.59654%0.54SS*.Hα-helixtrans-60.5-45.3174.6-174.8176.9-179.7-179.20111.5G223 Q229 L230 D231G223-K227 WeakPolarHBondContact O-CB 3.36Å; G223-K227 PolarHBondContact O-N 2.94Å; K227-Q229 PolarHBondContact O-N 2.95Å; K227-L230 PolarHBondContact O-N 3.4Å; K227-D231 WeakPolarHBondContact O-CB 3.47Å; K227-D231 PolarHBondContact O-N 3Å
228H82.5Confident79.2Confident114 Ų114110.2 Ų110.253%0.52855%0.552SS.*Hα-helixtrans-63.4-40.7176-178.2-91.6000112.6S224 Q225 L226 D231 L232S224-H228 WeakPolarHBondContact O-CB 3.48Å; S224-H228 PolarHBondContact O-N 3.03Å; Q225-H228 PolarHBondContact O-N 3.39Å; L226-H228 PolarHBondContact O-N 3.42Å; H228-D231 PolarHBondContact O-N 3.26Å; H228-L232 VanDerWaalsContact CE1-CD1 3.42Å; H228-L232 WeakPolarHBondContact CE1-CD1 3.41Å; H228-L232 WeakPolarHBondContact O-CG 3.35Å; H228-L232 PolarHBondContact O-N 3.35Å
229Q87.8Confident81.4Confident111 Ų111108.5 Ų108.552%0.51954%0.543SS..Hα-helixtrans-63.9-40.2175-75.7-175.6200112.3Q225 L226 K227 L232 L233Q225-Q229 WeakPolarHBondContact O-CG 3.47Å; Q225-Q229 PolarHBondContact O-N 3.49Å; L226-Q229 PolarHBondContact O-N 3.25Å; K227-Q229 PolarHBondContact O-N 2.95Å; Q229-L232 PolarHBondContact O-N 3.19Å; Q229-L233 WeakPolarHBondContact O-CB 3.37Å; Q229-L233 PolarHBondContact O-N 3.47Å
230L88.7Confident83.2Confident59 Ų59102.8 Ų102.831%0.30953%0.525SS..Hα-helixtrans-65.6-40.9175.1-173.768.3000111.6F210 L226 K227 L232 L233 T234F210-L230 HydrophobicContact CD1-CD2 4.14Å; F210-L230 HydrophobicContact CD2-CD2 4.27Å; F210-L230 HydrophobicContact CE1-CD2 3.52Å; F210-L230 HydrophobicContact CE2-CD2 3.69Å; F210-L230 HydrophobicContact CG-CD2 4.49Å; F210-L230 HydrophobicContact CZ-CD2 3.28Å; L226-L230 WeakPolarHBondContact O-CB 3.4Å; L226-L230 PolarHBondContact O-N 2.88Å; K227-L230 PolarHBondContact O-N 3.4Å; L230-L232 VanDerWaalsContact C-N 3.35Å; L230-L232 PolarHBondContact O-N 3.39Å; L230-L233 PolarHBondContact O-N 3.15Å; L230-T234 VanDerWaalsContact O-CB 3.28Å; L230-T234 WeakPolarHBondContact O-CB 3.3Å; L230-T234 PolarHBondContact O-N 3.41Å; L230-T234 PolarHBondContact O-OG1 3.14Å
231D89.6Confident85Confident75 Ų75102.2 Ų102.240%0.40152%0.518SS..Hα-helixtrans-62.7-41.6176.4-78.2-17.4000111.4K227 H228 T234 K235K227-D231 WeakPolarHBondContact O-CB 3.47Å; K227-D231 PolarHBondContact O-N 3Å; H228-D231 PolarHBondContact O-N 3.26Å; D231-T234 PolarHBondContact O-N 3.39Å; D231-K235 WeakPolarHBondContact O-CB 3.44Å; D231-K235 VanDerWaalsContact O-CG 3.23Å; D231-K235 WeakPolarHBondContact O-CG 3.35Å; D231-K235 PolarHBondContact O-N 3.36Å
232L91.5Very high86.6Confident92 Ų9299.9 Ų99.948%0.48251%0.505SS..Hα-helixtrans-63.7-45.1174.5-75.4177.6000112.1H228 Q229 L230 K235 S236H228-L232 VanDerWaalsContact CE1-CD1 3.42Å; H228-L232 WeakPolarHBondContact CE1-CD1 3.41Å; H228-L232 WeakPolarHBondContact O-CG 3.35Å; H228-L232 PolarHBondContact O-N 3.35Å; Q229-L232 PolarHBondContact O-N 3.19Å; L230-L232 VanDerWaalsContact C-N 3.35Å; L230-L232 PolarHBondContact O-N 3.39Å; L232-K235 PolarHBondContact O-N 2.92Å; L232-S236 WeakPolarHBondContact O-CB 3.46Å; L232-S236 PolarHBondContact O-N 2.92Å
233L93.3Very high88Confident117 Ų11797.9 Ų97.961%0.61350%0.497SS*.Hα-helixtrans-64.3-41.7178.4-171.567.1000111.3Q229 L230 S236 H237Q229-L233 WeakPolarHBondContact O-CB 3.37Å; Q229-L233 PolarHBondContact O-N 3.47Å; L230-L233 PolarHBondContact O-N 3.15Å; L233-S236 PolarHBondContact O-N 3.24Å; L233-H237 WeakPolarHBondContact O-CB 3.28Å; L233-H237 PolarHBondContact O-N 3.1Å
234T91.9Very high89.1Confident79 Ų79100.5 Ų100.549%0.48551%0.505SS..Hα-helixtrans-64.9-43.3177.3-57.70000111.1L230 D231 H237 K238L230-T234 VanDerWaalsContact O-CB 3.28Å; L230-T234 WeakPolarHBondContact O-CB 3.3Å; L230-T234 PolarHBondContact O-N 3.41Å; L230-T234 PolarHBondContact O-OG1 3.14Å; D231-T234 PolarHBondContact O-N 3.39Å; T234-H237 PolarHBondContact O-N 3.17Å; T234-K238 VanDerWaalsContact O-CB 3.28Å; T234-K238 WeakPolarHBondContact O-CB 3.35Å; T234-K238 PolarHBondContact O-N 3.44Å
235K93.7Very high90.2Very high146 Ų146100.5 Ų100.564%0.63550%0.499SS*.Hα-helixtrans-60.4-45.3173.6-76.8172.6-177.4176.40111.4D231 L232 K238 Q239D231-K235 WeakPolarHBondContact O-CB 3.44Å; D231-K235 VanDerWaalsContact O-CG 3.23Å; D231-K235 WeakPolarHBondContact O-CG 3.35Å; D231-K235 PolarHBondContact O-N 3.36Å; L232-K235 PolarHBondContact O-N 2.92Å; K235-K238 PolarHBondContact O-N 2.92Å; K235-Q239 WeakPolarHBondContact O-CB 3.34Å; K235-Q239 PolarHBondContact O-N 3.09Å
236S93.2Very high90.8Very high67 Ų6798.7 Ų98.747%0.46949%0.49SS..Hα-helixtrans-62.5-46.6177.5-175.40000112.1L232 L233 K238 Q239 Q240L232-S236 WeakPolarHBondContact O-CB 3.46Å; L232-S236 PolarHBondContact O-N 2.92Å; L233-S236 PolarHBondContact O-N 3.24Å; S236-K238 PolarHBondContact O-N 3.38Å; S236-Q239 WeakPolarHBondContact O-CB 3.44Å; S236-Q239 PolarHBondContact O-N 3Å; S236-Q240 PolarHBondContact O-N 2.99Å
237H92.3Very high91.6Very high89 Ų89100.2 Ų100.241%0.41249%0.493SS..Hα-helixtrans-64.6-42.4179.1-168.562.5000112.1L233 T234 Q239 Q240 I241L233-H237 WeakPolarHBondContact O-CB 3.28Å; L233-H237 PolarHBondContact O-N 3.1Å; T234-H237 PolarHBondContact O-N 3.17Å; H237-Q239 VanDerWaalsContact C-N 3.32Å; H237-Q239 PolarHBondContact O-N 3.06Å; H237-Q240 WeakPolarHBondContact O-CB 3.42Å; H237-Q240 PolarHBondContact O-N 3.06Å; H237-Q240 VanDerWaalsContact O-N 3.14Å; H237-I241 WeakPolarHBondContact O-CG1 3.43Å; H237-I241 PolarHBondContact O-N 2.9Å
238K93.9Very high92.2Very high139 Ų13998.1 Ų98.160%0.60449%0.487SS*.Hα-helixtrans-60.5-41.2174.6-172.1175.2-177.3176.90111.8T234 K235 S236 Q240 I241 N242T234-K238 VanDerWaalsContact O-CB 3.28Å; T234-K238 WeakPolarHBondContact O-CB 3.35Å; T234-K238 PolarHBondContact O-N 3.44Å; K235-K238 PolarHBondContact O-N 2.92Å; S236-K238 PolarHBondContact O-N 3.38Å; K238-Q240 VanDerWaalsContact C-N 3.35Å; K238-I241 PolarHBondContact O-N 3.26Å; K238-N242 VanDerWaalsContact O-CG 3.26Å; K238-N242 PolarHBondContact O-N 3.37Å; K238-N242 PolarHBondContact O-ND2 3.03Å
239Q94Very high92.7Very high124 Ų12499.4 Ų99.458%0.57949%0.487SS*.Hα-helixtrans-63.1-41.1174.3-171.9178.12.600111.6K235 S236 H237 N242 M243K235-Q239 WeakPolarHBondContact O-CB 3.34Å; K235-Q239 PolarHBondContact O-N 3.09Å; S236-Q239 WeakPolarHBondContact O-CB 3.44Å; S236-Q239 PolarHBondContact O-N 3Å; H237-Q239 VanDerWaalsContact C-N 3.32Å; H237-Q239 PolarHBondContact O-N 3.06Å; Q239-N242 PolarHBondContact O-N 3.28Å; Q239-M243 WeakPolarHBondContact O-CG 3.49Å; Q239-M243 PolarHBondContact O-N 3.47Å
240Q92.1Very high93Very high102 Ų10296.9 Ų96.948%0.47748%0.482SS..Hα-helixtrans-64.8-42.4176.8-167.8175.520.400112.7S236 H237 K238 N242 M243 N244S236-Q240 PolarHBondContact O-N 2.99Å; H237-Q240 WeakPolarHBondContact O-CB 3.42Å; H237-Q240 PolarHBondContact O-N 3.06Å; H237-Q240 VanDerWaalsContact O-N 3.14Å; K238-Q240 VanDerWaalsContact C-N 3.35Å; Q240-N242 VanDerWaalsContact C-N 3.34Å; Q240-N242 PolarHBondContact O-N 3.43Å; Q240-M243 HydrophobicContact CB-CE 4.45Å; Q240-M243 PolarHBondContact O-N 2.91Å; Q240-N244 PolarHBondContact O-N 3.18Å
241I92.3Very high93.2Very high72 Ų7299.2 Ų99.237%0.36949%0.494SS..Hα-helixtrans-59.4-45.8173.4-70169.3000110.3H237 K238 M243 N244 N245H237-I241 WeakPolarHBondContact O-CG1 3.43Å; H237-I241 PolarHBondContact O-N 2.9Å; K238-I241 PolarHBondContact O-N 3.26Å; I241-M243 PolarHBondContact O-N 3.48Å; I241-N244 PolarHBondContact O-N 3.03Å; I241-N245 WeakPolarHBondContact O-CB 3.49Å; I241-N245 PolarHBondContact O-N 3.46Å; I241-N245 PolarHBondContact O-ND2 3.34Å
242N93.7Very high93.4Very high92 Ų92100.8 Ų100.849%0.49250%0.499SS..Hα-helixtrans-61.1-43.4178.5-72.8-14.2000112.2K238 Q239 Q240 N244 N245 E246K238-N242 VanDerWaalsContact O-CG 3.26Å; K238-N242 PolarHBondContact O-N 3.37Å; K238-N242 PolarHBondContact O-ND2 3.03Å; Q239-N242 PolarHBondContact O-N 3.28Å; Q240-N242 VanDerWaalsContact C-N 3.34Å; Q240-N242 PolarHBondContact O-N 3.43Å; N242-N244 PolarHBondContact O-N 3.31Å; N242-N245 PolarHBondContact O-N 3.45Å; N242-E246 PolarHBondContact O-N 2.95Å
243M93.9Very high93.6Very high101 Ų101102.9 Ų102.950%0.49851%0.507SS..Hα-helixtrans-63.1-39.9175.4-71.5-171.1-64.300112.5Q239 Q240 I241 E246 K247Q239-M243 WeakPolarHBondContact O-CG 3.49Å; Q239-M243 PolarHBondContact O-N 3.47Å; Q240-M243 HydrophobicContact CB-CE 4.45Å; Q240-M243 PolarHBondContact O-N 2.91Å; I241-M243 PolarHBondContact O-N 3.48Å; M243-E246 PolarHBondContact O-N 3.03Å; M243-K247 WeakPolarHBondContact O-CG 3.34Å; M243-K247 PolarHBondContact O-N 3.41Å
244N93.9Very high93.6Very high81 Ų81103.4 Ų103.443%0.43351%0.506SS..Hα-helixtrans-68.6-39.5178.1-73.5-15.1000111.9Q240 I241 N242 E246 K247 L248Q240-N244 PolarHBondContact O-N 3.18Å; I241-N244 PolarHBondContact O-N 3.03Å; N242-N244 PolarHBondContact O-N 3.31Å; N244-E246 VanDerWaalsContact C-N 3.29Å; N244-E246 PolarHBondContact O-N 3.04Å; N244-K247 PolarHBondContact O-N 3.21Å; N244-L248 WeakPolarHBondContact O-CB 3.44Å; N244-L248 PolarHBondContact O-N 3.23Å
245N94.5Very high93.8Very high77 Ų77106.8 Ų106.841%0.41251%0.511SS..Hα-helixtrans-63.5-36173.9-73.1-19.3000111.7I241 N242 L248 R249I241-N245 WeakPolarHBondContact O-CB 3.49Å; I241-N245 PolarHBondContact O-N 3.46Å; I241-N245 PolarHBondContact O-ND2 3.34Å; N242-N245 PolarHBondContact O-N 3.45Å; N245-L248 PolarHBondContact O-N 2.99Å; N245-R249 WeakPolarHBondContact O-CG 3.48Å; N245-R249 PolarHBondContact O-N 3.15Å
246E93.8Very high93.9Very high95 Ų95104.7 Ų104.744%0.44450%0.503SS..Hα-helixtrans-67-44.4174.7-161.158.3-155.600112.1N242 M243 N244 L248 R249 S250N242-E246 PolarHBondContact O-N 2.95Å; M243-E246 PolarHBondContact O-N 3.03Å; N244-E246 VanDerWaalsContact C-N 3.29Å; N244-E246 PolarHBondContact O-N 3.04Å; E246-L248 VanDerWaalsContact C-N 3.28Å; E246-L248 PolarHBondContact O-N 3.31Å; E246-R249 WeakPolarHBondContact O-CB 3.42Å; E246-R249 PolarHBondContact O-N 2.97Å; E246-R249 VanDerWaalsContact O-N 3.14Å; E246-R249 IonicContact OE2-CZ 3.2Å; E246-R249 IonicContact OE2-NE 3.05Å; E246-R249 PolarHBondContact OE2-NE 2.95Å; E246-R249 IonicContact OE2-NH2 2.72Å; E246-R249 PolarHBondContact OE2-NH2 2.86Å; E246-S250 PolarHBondContact O-N 2.98Å; E246-S250 PolarHBondContact O-OG 3.46Å
247K95.9Very high94Very high136 Ų136106.7 Ų106.759%0.59151%0.505SS*.Hα-helixtrans-58.1-41.3172.4-71.8176.4-179.4177.80112.1M243 N244 S250 L251M243-K247 WeakPolarHBondContact O-CG 3.34Å; M243-K247 PolarHBondContact O-N 3.41Å; N244-K247 PolarHBondContact O-N 3.21Å; K247-S250 PolarHBondContact O-N 3.38Å; K247-L251 WeakPolarHBondContact O-CB 3.33Å; K247-L251 PolarHBondContact O-N 3.19Å
248L93.9Very high94.2Very high92 Ų92108 Ų10848%0.48251%0.514SS..Hα-helixtrans-63.3-42.4176.4-176.164.4000111.3N244 N245 E246 L251 Q252N244-L248 WeakPolarHBondContact O-CB 3.44Å; N244-L248 PolarHBondContact O-N 3.23Å; N245-L248 PolarHBondContact O-N 2.99Å; E246-L248 VanDerWaalsContact C-N 3.28Å; E246-L248 PolarHBondContact O-N 3.31Å; L248-L251 PolarHBondContact O-N 2.95Å; L248-Q252 WeakPolarHBondContact O-CB 3.4Å; L248-Q252 VanDerWaalsContact O-CG 3.28Å; L248-Q252 WeakPolarHBondContact O-CG 3.39Å; L248-Q252 PolarHBondContact O-N 3.02Å
249R93Very high94.2Very high141 Ų141107 Ų10753%0.53251%0.51SS..Hα-helixtrans-61.8-44.2174.2-77.6-168.7-79.1-155.1-2.7112N245 E246 Q252 Q253N245-R249 WeakPolarHBondContact O-CG 3.48Å; N245-R249 PolarHBondContact O-N 3.15Å; E246-R249 WeakPolarHBondContact O-CB 3.42Å; E246-R249 PolarHBondContact O-N 2.97Å; E246-R249 VanDerWaalsContact O-N 3.14Å; E246-R249 IonicContact OE2-CZ 3.2Å; E246-R249 IonicContact OE2-NE 3.05Å; E246-R249 PolarHBondContact OE2-NE 2.95Å; E246-R249 IonicContact OE2-NH2 2.72Å; E246-R249 PolarHBondContact OE2-NH2 2.86Å; R249-Q252 PolarHBondContact O-N 3.46Å; R249-Q253 WeakPolarHBondContact O-CG 3.45Å; R249-Q253 PolarHBondContact O-N 2.96Å
250S94.1Very high94.2Very high59 Ų59104.6 Ų104.641%0.41351%0.507SS..Hα-helixtrans-62.2-44.5176-53.80000112.4E246 K247 Q252 Q253 E254E246-S250 PolarHBondContact O-N 2.98Å; E246-S250 PolarHBondContact O-OG 3.46Å; K247-S250 PolarHBondContact O-N 3.38Å; S250-Q252 VanDerWaalsContact C-N 3.34Å; S250-Q252 PolarHBondContact O-N 2.75Å; S250-Q253 PolarHBondContact O-N 3.45Å; S250-E254 PolarHBondContact O-N 2.92Å
251L93.8Very high94.4Very high107 Ų107104.8 Ų104.856%0.5651%0.507SS*.Hα-helixtrans-62-39.7176.1-84.7157.3000112.3K247 L248 E254 Y255K247-L251 WeakPolarHBondContact O-CB 3.33Å; K247-L251 PolarHBondContact O-N 3.19Å; L248-L251 PolarHBondContact O-N 2.95Å; L251-E254 PolarHBondContact O-N 3.48Å; L251-Y255 WeakPolarHBondContact O-CB 3.43Å; L251-Y255 PolarHBondContact O-N 3.27Å
252Q92.7Very high94.6Very high109 Ų109107.1 Ų107.151%0.50952%0.519SS..Hα-helixtrans-64.8-41.5175.3-75.6174.9-1100111.9L248 R249 S250 Y255 Q256L248-Q252 WeakPolarHBondContact O-CB 3.4Å; L248-Q252 VanDerWaalsContact O-CG 3.28Å; L248-Q252 WeakPolarHBondContact O-CG 3.39Å; L248-Q252 PolarHBondContact O-N 3.02Å; R249-Q252 PolarHBondContact O-N 3.46Å; S250-Q252 VanDerWaalsContact C-N 3.34Å; S250-Q252 PolarHBondContact O-N 2.75Å; Q252-Y255 PolarHBondContact O-N 3.34Å; Q252-Q256 WeakPolarHBondContact O-CG 3.38Å; Q252-Q256 PolarHBondContact O-N 2.97Å
253Q95.2Very high94.6Very high136 Ų136110.6 Ų110.664%0.63653%0.527SS*.Hα-helixtrans-62.6-44.6174.9-72.2173.6-7.700111.5R249 S250 Y255 Q256 H257R249-Q253 WeakPolarHBondContact O-CG 3.45Å; R249-Q253 PolarHBondContact O-N 2.96Å; S250-Q253 PolarHBondContact O-N 3.45Å; Q253-Y255 PolarHBondContact O-N 3.37Å; Q253-Q256 PolarHBondContact O-N 3.29Å; Q253-H257 PolarHBondContact O-N 2.9Å
254E94.7Very high94.7Very high128 Ų128110.8 Ų110.860%0.59853%0.526SS*.Hα-helixtrans-61.5-43.4176.6-170.7-177.4176.300111.8S250 L251 Q256 H257 L258S250-E254 PolarHBondContact O-N 2.92Å; L251-E254 PolarHBondContact O-N 3.48Å; E254-Q256 PolarHBondContact O-N 3.04Å; E254-H257 WeakPolarHBondContact O-CB 3.48Å; E254-H257 PolarHBondContact O-N 3.01Å; E254-L258 WeakPolarHBondContact O-CB 3.46Å; E254-L258 PolarHBondContact O-N 3.37Å
255Y95.5Very high94.8Very high149 Ų149113.3 Ų113.358%0.58453%0.533SS*.Hα-helixtrans-59.9-44.4175.3175.1-98.8000112.3L251 Q252 Q253 L258 K259L251-Y255 WeakPolarHBondContact O-CB 3.43Å; L251-Y255 PolarHBondContact O-N 3.27Å; Q252-Y255 PolarHBondContact O-N 3.34Å; Q253-Y255 PolarHBondContact O-N 3.37Å; Y255-L258 PolarHBondContact O-N 3.01Å; Y255-K259 VanDerWaalsContact O-CB 3.32Å; Y255-K259 WeakPolarHBondContact O-CB 3.36Å; Y255-K259 PolarHBondContact O-N 2.73Å
256Q95.4Very high94.7Very high102 Ų102112.8 Ų112.848%0.47753%0.533SS..Hα-helixtrans-65.3-39.4176.7-66.1-62.9-9.100111.8Q252 Q253 E254 K259 S260Q252-Q256 WeakPolarHBondContact O-CG 3.38Å; Q252-Q256 PolarHBondContact O-N 2.97Å; Q253-Q256 PolarHBondContact O-N 3.29Å; E254-Q256 PolarHBondContact O-N 3.04Å; Q256-K259 PolarHBondContact O-N 2.98Å; Q256-S260 PolarHBondContact O-N 3.43Å; Q256-S260 PolarHBondContact O-OG 3.02Å
257H95.4Very high94.8Very high110 Ų110112.2 Ų112.251%0.50953%0.53SS..Hα-helixtrans-61.7-46.1174.8-174.650.1000112.1Q253 E254 K259 S260 K261Q253-H257 PolarHBondContact O-N 2.9Å; E254-H257 WeakPolarHBondContact O-CB 3.48Å; E254-H257 PolarHBondContact O-N 3.01Å; H257-K259 VanDerWaalsContact C-N 3.34Å; H257-K259 PolarHBondContact O-N 3.3Å; H257-S260 PolarHBondContact O-N 3.01Å; H257-K261 VanDerWaalsContact NE2-CE 3.31Å; H257-K261 WeakPolarHBondContact NE2-CE 3.43Å; H257-K261 PolarHBondContact NE2-NZ 2.91Å; H257-K261 PolarHBondContact O-N 3.42Å
258L96.4Very high94.7Very high115 Ų115109.4 Ų109.460%0.60252%0.519SS*.Hα-helixtrans-64.9-39178.4-170.762.3000111.6E254 Y255 K261 L262E254-L258 WeakPolarHBondContact O-CB 3.46Å; E254-L258 PolarHBondContact O-N 3.37Å; Y255-L258 PolarHBondContact O-N 3.01Å; L258-K261 PolarHBondContact O-N 3.2Å; L258-L262 WeakPolarHBondContact O-CB 3.31Å; L258-L262 PolarHBondContact O-N 2.86Å
259K93.9Very high94.8Very high118 Ų118110.5 Ų110.551%0.51353%0.525SS..Hα-helixtrans-61.4-44.8174.2-174.2-178.5178.1-173.50112Y255 Q256 H257 L262 Y263Y255-K259 VanDerWaalsContact O-CB 3.32Å; Y255-K259 WeakPolarHBondContact O-CB 3.36Å; Y255-K259 PolarHBondContact O-N 2.73Å; Q256-K259 PolarHBondContact O-N 2.98Å; H257-K259 VanDerWaalsContact C-N 3.34Å; H257-K259 PolarHBondContact O-N 3.3Å; K259-L262 PolarHBondContact O-N 2.87Å; K259-Y263 PolarHBondContact O-N 3.32Å
260S95.1Very high94.8Very high75 Ų75109.2 Ų109.252%0.52453%0.525SS..Hα-helixtrans-62.9-43.4175.8-64.70000112.1Q256 H257 L262 Y263 E264Q256-S260 PolarHBondContact O-N 3.43Å; Q256-S260 PolarHBondContact O-OG 3.02Å; H257-S260 PolarHBondContact O-N 3.01Å; S260-L262 VanDerWaalsContact C-N 3.35Å; S260-L262 PolarHBondContact O-N 3.43Å; S260-Y263 PolarHBondContact O-N 3.48Å; S260-E264 PolarHBondContact O-N 3.22Å
261K96Very high94.8Very high106 Ų106111 Ų11146%0.46153%0.527SS..Hα-helixtrans-60.4-41.8174.5-78.3-179.4173.2176.40112.7H257 L258 E264 K265H257-K261 VanDerWaalsContact NE2-CE 3.31Å; H257-K261 WeakPolarHBondContact NE2-CE 3.43Å; H257-K261 PolarHBondContact NE2-NZ 2.91Å; H257-K261 PolarHBondContact O-N 3.42Å; L258-K261 PolarHBondContact O-N 3.2Å; K261-E264 PolarHBondContact O-N 2.91Å; K261-K265 WeakPolarHBondContact O-CB 3.47Å; K261-K265 WeakPolarHBondContact O-CG 3.22Å; K261-K265 PolarHBondContact O-N 3.41Å
262L94.9Very high94.9Very high120 Ų120112.3 Ų112.363%0.62853%0.528SS*.Hα-helixtrans-64.3-41.9177.7-175.767000111.2L258 K259 S260 K265 T266L258-L262 WeakPolarHBondContact O-CB 3.31Å; L258-L262 PolarHBondContact O-N 2.86Å; K259-L262 PolarHBondContact O-N 2.87Å; S260-L262 VanDerWaalsContact C-N 3.35Å; S260-L262 PolarHBondContact O-N 3.43Å; L262-K265 PolarHBondContact O-N 3.27Å; L262-T266 WeakPolarHBondContact O-CB 3.47Å; L262-T266 PolarHBondContact O-N 3.2Å; L262-T266 PolarHBondContact O-OG1 3.38Å
263Y94.6Very high95Very high166 Ų166110.2 Ų110.265%0.65152%0.522SS*.Hα-helixtrans-61.9-48175.7-177.2-94.4000111.8K259 S260 K265 T266 Q267K259-Y263 PolarHBondContact O-N 3.32Å; S260-Y263 PolarHBondContact O-N 3.48Å; Y263-K265 PolarHBondContact O-N 2.94Å; Y263-T266 WeakPolarHBondContact O-CB 3.37Å; Y263-T266 PolarHBondContact O-N 2.86Å; Y263-Q267 PolarHBondContact O-N 2.94Å
264E95.2Very high95Very high104 Ų104110 Ų11049%0.48652%0.519SS..Hα-helixtrans-59.3-44.8176.9-170.1-169.4163.600111.9S260 K261 T266 Q267 Q268S260-E264 PolarHBondContact O-N 3.22Å; K261-E264 PolarHBondContact O-N 2.91Å; E264-T266 VanDerWaalsContact C-N 3.33Å; E264-T266 PolarHBondContact O-N 3.4Å; E264-Q267 PolarHBondContact O-N 3.34Å; E264-Q268 WeakPolarHBondContact O-CG 3.38Å; E264-Q268 PolarHBondContact O-N 2.91Å; E264-Q268 PolarHBondContact OE1-NE2 3.31Å
265K96.1Very high95Very high135 Ų135109.4 Ų109.459%0.58752%0.52SS*.Hα-helixtrans-64-38.1176.8-75.3-72168.9-1580112.7K261 L262 Y263 Q268 L269K261-K265 WeakPolarHBondContact O-CB 3.47Å; K261-K265 WeakPolarHBondContact O-CG 3.22Å; K261-K265 PolarHBondContact O-N 3.41Å; L262-K265 PolarHBondContact O-N 3.27Å; Y263-K265 PolarHBondContact O-N 2.94Å; K265-Q268 PolarHBondContact O-N 3.32Å; K265-L269 WeakPolarHBondContact O-CB 3.5Å; K265-L269 PolarHBondContact O-N 2.95Å
266T93.6Very high94.9Very high65 Ų65106.3 Ų106.340%0.39951%0.513SS..Hα-helixtrans-64.8-42.7175.8-570000110.7L262 Y263 E264 L269 Q270L262-T266 WeakPolarHBondContact O-CB 3.47Å; L262-T266 PolarHBondContact O-N 3.2Å; L262-T266 PolarHBondContact O-OG1 3.38Å; Y263-T266 WeakPolarHBondContact O-CB 3.37Å; Y263-T266 PolarHBondContact O-N 2.86Å; E264-T266 VanDerWaalsContact C-N 3.33Å; E264-T266 PolarHBondContact O-N 3.4Å; T266-L269 PolarHBondContact O-N 3.49Å; T266-Q270 WeakPolarHBondContact O-CG 3.43Å; T266-Q270 PolarHBondContact O-N 2.91Å
267Q94.5Very high94.7Very high83 Ų83106.9 Ų106.939%0.38852%0.516SS..Hα-helixtrans-63.6-46.9175.8-174.1179.4-9.500111.9Y263 E264 L269 Q270 E271Y263-Q267 PolarHBondContact O-N 2.94Å; E264-Q267 PolarHBondContact O-N 3.34Å; Q267-L269 VanDerWaalsContact C-N 3.26Å; Q267-L269 PolarHBondContact O-N 2.9Å; Q267-Q270 PolarHBondContact O-N 3.43Å; Q267-Q270 VanDerWaalsContact O-N 3.16Å; Q267-E271 WeakPolarHBondContact CG-OE1 3.38Å; Q267-E271 PolarHBondContact NE2-OE1 3.48Å; Q267-E271 WeakPolarHBondContact O-CG 3.41Å; Q267-E271 PolarHBondContact O-N 3.02Å
268Q94.3Very high94.6Very high78 Ų78106 Ų10636%0.36451%0.514SS..Hα-helixtrans-56.6-40.5174.8-74.1174.4500111.9E264 K265 K272E264-Q268 WeakPolarHBondContact O-CG 3.38Å; E264-Q268 PolarHBondContact O-N 2.91Å; E264-Q268 PolarHBondContact OE1-NE2 3.31Å; K265-Q268 PolarHBondContact O-N 3.32Å; Q268-K272 WeakPolarHBondContact O-CB 3.41Å; Q268-K272 PolarHBondContact O-N 3Å
269L96.1Very high94.2Very high114 Ų114106 Ų10660%0.59751%0.511SS*.Hα-helixtrans-66.5-44177.6-172.165.7000111.5K265 T266 Q267 K272 T273K265-L269 WeakPolarHBondContact O-CB 3.5Å; K265-L269 PolarHBondContact O-N 2.95Å; T266-L269 PolarHBondContact O-N 3.49Å; Q267-L269 VanDerWaalsContact C-N 3.26Å; Q267-L269 PolarHBondContact O-N 2.9Å; L269-K272 PolarHBondContact O-N 3.27Å; L269-T273 PolarHBondContact O-N 2.93Å; L269-T273 PolarHBondContact O-OG1 2.99Å
270Q93.9Very high93.8Very high115 Ų115104.2 Ų104.254%0.53751%0.507SS..Hα-helixtrans-62.2-42.8175.8-73.3178.1-1300112.4T266 Q267 T273 K274T266-Q270 WeakPolarHBondContact O-CG 3.43Å; T266-Q270 PolarHBondContact O-N 2.91Å; Q267-Q270 PolarHBondContact O-N 3.43Å; Q267-Q270 VanDerWaalsContact O-N 3.16Å; Q270-T273 PolarHBondContact O-N 2.91Å; Q270-K274 WeakPolarHBondContact O-CG 3.35Å; Q270-K274 PolarHBondContact O-N 3.36Å
271E93.8Very high93.4Very high96 Ų96104 Ų10445%0.44950%0.503SS..Hα-helixtrans-63.6-42.8175.7-72.3173.5-168.500111.5Q267 T273 K274 L275Q267-E271 WeakPolarHBondContact CG-OE1 3.38Å; Q267-E271 PolarHBondContact NE2-OE1 3.48Å; Q267-E271 WeakPolarHBondContact O-CG 3.41Å; Q267-E271 PolarHBondContact O-N 3.02Å; E271-T273 PolarHBondContact O-N 3.2Å; E271-K274 PolarHBondContact O-N 3.25Å; E271-L275 WeakPolarHBondContact O-CG 3.24Å; E271-L275 PolarHBondContact O-N 3.21Å
272K95.6Very high92.7Very high134 Ų134106 Ų10658%0.58351%0.508SS*.Hα-helixtrans-63-40.3175.2-171.7176.7-179.9-179.90112.1Q268 L269 L275 L276Q268-K272 WeakPolarHBondContact O-CB 3.41Å; Q268-K272 PolarHBondContact O-N 3Å; L269-K272 PolarHBondContact O-N 3.27Å; K272-L275 PolarHBondContact O-N 2.99Å; K272-L276 HydrophobicContact CG-CD1 4.43Å; K272-L276 WeakPolarHBondContact O-CG 3.17Å; K272-L276 PolarHBondContact O-N 3.16Å
273T94.2Very high92Very high65 Ų65103.9 Ų103.940%0.39950%0.503SS..Hα-helixtrans-61.6-46.2174.2-60.50000111L269 Q270 E271 L275 L276 E277L269-T273 PolarHBondContact O-N 2.93Å; L269-T273 PolarHBondContact O-OG1 2.99Å; Q270-T273 PolarHBondContact O-N 2.91Å; E271-T273 PolarHBondContact O-N 3.2Å; T273-L275 VanDerWaalsContact C-N 3.34Å; T273-L275 PolarHBondContact O-N 3.42Å; T273-L276 PolarHBondContact O-N 3.22Å; T273-E277 WeakPolarHBondContact O-CG 3.34Å; T273-E277 PolarHBondContact O-N 3.2Å
274K95.7Very high91.1Very high131 Ų131102.7 Ų102.757%0.5750%0.503SS*.Hα-helixtrans-60.4-40.3174.9-71.2174.9-178.7178.90112.7Q270 E271 E277 L278Q270-K274 WeakPolarHBondContact O-CG 3.35Å; Q270-K274 PolarHBondContact O-N 3.36Å; E271-K274 PolarHBondContact O-N 3.25Å; K274-E277 PolarHBondContact O-N 2.8Å; K274-L278 WeakPolarHBondContact O-CG 3.46Å; K274-L278 PolarHBondContact O-N 3.13Å
275L95.2Very high90Very high116 Ų116107.1 Ų107.161%0.60752%0.516SS*.Hα-helixtrans-65.2-39.8176.1-74173.8000112.2E271 K272 T273 L278 Q279E271-L275 WeakPolarHBondContact O-CG 3.24Å; E271-L275 PolarHBondContact O-N 3.21Å; K272-L275 PolarHBondContact O-N 2.99Å; T273-L275 VanDerWaalsContact C-N 3.34Å; T273-L275 PolarHBondContact O-N 3.42Å; L275-L278 PolarHBondContact O-N 2.92Å; L275-Q279 WeakPolarHBondContact O-CB 3.45Å; L275-Q279 PolarHBondContact O-N 3.18Å
276L93.2Very high88.5Confident84 Ų84106 Ų10644%0.4452%0.515SS..Hα-helixtrans-65.6-40.7174.9-73.7169.1000111.7K272 T273 Q279 N280K272-L276 HydrophobicContact CG-CD1 4.43Å; K272-L276 WeakPolarHBondContact O-CG 3.17Å; K272-L276 PolarHBondContact O-N 3.16Å; T273-L276 PolarHBondContact O-N 3.22Å; L276-Q279 PolarHBondContact O-N 3.34Å; L276-N280 WeakPolarHBondContact O-CB 3.48Å; L276-N280 PolarHBondContact O-N 3.43Å; L276-N280 PolarHBondContact O-ND2 3.4Å
277E91.6Very high86.9Confident115 Ų115107.4 Ų107.454%0.53753%0.525SS..Hα-helixtrans-61.7-46173.6-73.3172.4-17500111.8T273 K274 Q279 N280 V281T273-E277 WeakPolarHBondContact O-CG 3.34Å; T273-E277 PolarHBondContact O-N 3.2Å; K274-E277 PolarHBondContact O-N 2.8Å; E277-Q279 PolarHBondContact O-N 3.26Å; E277-N280 WeakPolarHBondContact O-CB 3.46Å; E277-N280 PolarHBondContact O-N 3.41Å; E277-V281 WeakPolarHBondContact O-CG2 3.46Å; E277-V281 PolarHBondContact O-N 3.33Å
278L91.9Very high85.5Confident90 Ų90112.2 Ų112.247%0.47154%0.54SS..Hα-helixtrans-61.3-44.5174.7-74.6171.9000111.5K274 L275 N280 V281 Y282K274-L278 WeakPolarHBondContact O-CG 3.46Å; K274-L278 PolarHBondContact O-N 3.13Å; L275-L278 PolarHBondContact O-N 2.92Å; L278-N280 VanDerWaalsContact C-N 3.27Å; L278-N280 PolarHBondContact O-N 3.45Å; L278-V281 PolarHBondContact O-N 2.95Å; L278-V281 VanDerWaalsContact O-N 3.17Å; L278-Y282 WeakPolarHBondContact O-CD2 3.4Å; L278-Y282 PolarHBondContact O-N 3.48Å
279Q87.8Confident83.7Confident116 Ų116113.7 Ų113.754%0.54255%0.545SS..Hα-helixtrans-59.9-39.1176.5-174.4178.82.500111.5L275 L276 E277 Y282 S283L275-Q279 WeakPolarHBondContact O-CB 3.45Å; L275-Q279 PolarHBondContact O-N 3.18Å; L276-Q279 PolarHBondContact O-N 3.34Å; E277-Q279 PolarHBondContact O-N 3.26Å; Q279-Y282 PolarHBondContact O-N 2.87Å; Q279-S283 VanDerWaalsContact O-CB 3.24Å; Q279-S283 WeakPolarHBondContact O-CB 3.44Å; Q279-S283 PolarHBondContact O-N 2.89Å; Q279-S283 PolarHBondContact O-OG 2.97Å
280N85.5Confident81.8Confident81 Ų81115.1 Ų115.143%0.43355%0.553SS.*Hα-helixtrans-65.1-43.2175.1-71.3-21.7000111.6L276 E277 L278 S283 H284L276-N280 WeakPolarHBondContact O-CB 3.48Å; L276-N280 PolarHBondContact O-N 3.43Å; L276-N280 PolarHBondContact O-ND2 3.4Å; E277-N280 WeakPolarHBondContact O-CB 3.46Å; E277-N280 PolarHBondContact O-N 3.41Å; L278-N280 VanDerWaalsContact C-N 3.27Å; L278-N280 PolarHBondContact O-N 3.45Å; N280-S283 PolarHBondContact O-N 3.34Å; N280-H284 PolarHBondContact O-N 3.31Å; N280-H284 VanDerWaalsContact O-N 3.15Å
281V87.4Confident80Confident70 Ų70117 Ų11742%0.42457%0.565SS.*Hα-helixtrans-62.8-44.8175.51740000111.5E277 L278 H284 R285E277-V281 WeakPolarHBondContact O-CG2 3.46Å; E277-V281 PolarHBondContact O-N 3.33Å; L278-V281 PolarHBondContact O-N 2.95Å; L278-V281 VanDerWaalsContact O-N 3.17Å; V281-H284 PolarHBondContact O-N 2.91Å; V281-R285 WeakPolarHBondContact O-CG 3.48Å; V281-R285 PolarHBondContact O-N 2.92Å; V281-R285 VanDerWaalsContact O-N 3.09Å
282Y82.2Confident77.9Confident149 Ų149119.6 Ų119.658%0.58458%0.581SS**Hα-helixtrans-67.2-41177.7-81.3-68.7000112.3L278 Q279 H284 R285 I286L278-Y282 WeakPolarHBondContact O-CD2 3.4Å; L278-Y282 PolarHBondContact O-N 3.48Å; Q279-Y282 PolarHBondContact O-N 2.87Å; Y282-H284 PolarHBondContact O-N 3.35Å; Y282-R285 PolarHBondContact O-N 3.39Å; Y282-I286 WeakPolarHBondContact O-CG1 3.05Å; Y282-I286 PolarHBondContact O-N 2.94Å
283S79.8Confident75.6Confident74 Ų74120.8 Ų120.852%0.51759%0.593SS.*Hα-helixtrans-62.8-26.2177.5-60.50000112.4Q279 N280Q279-S283 VanDerWaalsContact O-CB 3.24Å; Q279-S283 WeakPolarHBondContact O-CB 3.44Å; Q279-S283 PolarHBondContact O-N 2.89Å; Q279-S283 PolarHBondContact O-OG 2.97Å; N280-S283 PolarHBondContact O-N 3.34Å
284H75.7Confident73.4Confident142 Ų142119.2 Ų119.266%0.65759%0.59SS**Hα-helixtrans-86.2-23.7173.5-67.9-13.7000113.9N280 V281 Y282N280-H284 PolarHBondContact O-N 3.31Å; N280-H284 VanDerWaalsContact O-N 3.15Å; V281-H284 PolarHBondContact O-N 2.91Å; Y282-H284 PolarHBondContact O-N 3.35Å
285R72.3Confident71Confident196 Ų196122 Ų12274%0.7460%0.604SS**Hα-helixtrans-94-23.9-177.5-74.7-172.7-174.6-160.23.1115V281 Y282 P287V281-R285 WeakPolarHBondContact O-CG 3.48Å; V281-R285 PolarHBondContact O-N 2.92Å; V281-R285 VanDerWaalsContact O-N 3.09Å; Y282-R285 PolarHBondContact O-N 3.39Å; R285-P287 WeakPolarHBondContact O-CD 3.39Å; R285-P287 VanDerWaalsContact O-N 3.17Å
286I64.1Low68.6Low113 Ų113124.3 Ų124.358%0.57962%0.616SS**SBendtrans-72.4108.7179.9-63.5166.3000108.8Y282 R288Y282-I286 WeakPolarHBondContact O-CG1 3.05Å; Y282-I286 PolarHBondContact O-N 2.94Å; I286-R288 PolarHBondContact O-N 3.21Å; I286-R288 VanDerWaalsContact O-N 3.15Å
287P60.5Low66.6Low94 Ų94125.2 Ų125.261%0.6163%0.627SS**  trans-66.4119.4173.2-10.328.8000106.2R285 K289R285-P287 WeakPolarHBondContact O-CD 3.39Å; R285-P287 VanDerWaalsContact O-N 3.17Å; P287-K289 HydrophobicContact CB-CG 4.45Å; P287-K289 PolarHBondContact O-N 3.41Å
288R64.4Low64.4Low184 Ų184126 Ų12669%0.69464%0.64SS**  trans-65.120.8-180-65.9-179.3175179.3-4.9114.4D149 I286 N290D149-R288 IonicContact OD2-CZ 3.16Å; D149-R288 IonicContact OD2-NH1 2.64Å; D149-R288 PolarHBondContact OD2-NH1 3.42Å; D149-R288 IonicContact OD2-NH2 2.77Å; D149-R288 PolarHBondContact OD2-NH2 3.41Å; I286-R288 PolarHBondContact O-N 3.21Å; I286-R288 VanDerWaalsContact O-N 3.15Å; R288-N290 PolarHBondContact O-N 2.93Å
289K57.7Low62.2Low108 Ų108129.3 Ų129.347%0.4766%0.657SS.*THydrogen-bonded Turntrans-82.5106.6175.7-59.8178.4177.6178.60107P287 D571 L572P287-K289 HydrophobicContact CB-CG 4.45Å; P287-K289 PolarHBondContact O-N 3.41Å; K289-D571 PolarHBondContact NZ-O 3.07Å; K289-D571 VanDerWaalsContact NZ-O 3.08Å; K289-L572 VanDerWaalsContact CE-CG 3.42Å
290N55.3Low59.9Low144 Ų144128.5 Ų128.577%0.7767%0.665SS**THydrogen-bonded Turntrans119.729.4168.6-55.5-17000118.1R288 I292R288-N290 PolarHBondContact O-N 2.93Å; N290-I292 PolarHBondContact O-N 2.91Å
291I55.3Low57.8Low155 Ų155129.2 Ų129.280%0.79568%0.676SS**  trans-81.672.9152.1-53.1178.3000107.7L293I291-L293 HydrophobicContact CG2-CB 4.1Å; I291-L293 PolarHBondContact O-N 3.28Å
292I51.2Low55.6Low150 Ų150132.3 Ų132.377%0.76970%0.695SS**  trans-86.775.8156-57.3174.2000104.4N290N290-I292 PolarHBondContact O-N 2.91Å
293L47.1Very low53.4Low159 Ų159130.5 Ų130.583%0.83270%0.703SS**  trans-99.995.4162.2-157.372.9000106.5I291I291-L293 HydrophobicContact CG2-CB 4.1Å; I291-L293 PolarHBondContact O-N 3.28Å
294G47.5Very low51.6Low33 Ų33131.2 Ų131.234%0.3471%0.708SS.*  trans-59.1135175.600000111.6L296G294-L296 PolarHBondContact O-N 3.06Å
295H45.7Very low50Low190 Ų190130.9 Ų130.988%0.8872%0.716SS**  trans51.361.9131.7-21.7-62.2000115.5
296L44.5Very low49Very low163 Ų163127.5 Ų127.585%0.85371%0.713SS**  trans-91.9118.8150.1-134.980.3000107.2G294 T298G294-L296 PolarHBondContact O-N 3.06Å; L296-T298 PolarHBondContact O-N 2.96Å
297P51.4Low48.2Very low104 Ų104129.9 Ų129.968%0.67573%0.727SS**  trans-64.2123.1175.925.4-28.6000107.9L299P297-L299 PolarHBondContact O-N 3.49Å
298T45.1Very low47.9Very low132 Ų132132.2 Ų132.281%0.8173%0.733SS**  trans-54.896.9159.5-48.90000106.6L296 S300L296-T298 PolarHBondContact O-N 2.96Å; T298-S300 PolarHBondContact O-N 3.12Å
299L44.8Very low47.3Very low158 Ų158131.1 Ų131.183%0.82774%0.741SS**  trans-63.693.5159.4-76.1169.9000105.3P297 S301P297-L299 PolarHBondContact O-N 3.49Å; L299-S301 PolarHBondContact O-N 2.8Å
300S40.9Very low47.2Very low99 Ų99133.2 Ų133.269%0.69276%0.757SS**  trans-58.681.4154.1570000107.1T298 T302T298-S300 PolarHBondContact O-N 3.12Å; S300-T302 PolarHBondContact O-N 3.46Å
301S41.5Very low46.9Very low97 Ų97136.8 Ų136.868%0.67876%0.761SS**  trans-71.585.2162162.60000106.6L299 C303L299-S301 PolarHBondContact O-N 2.8Å; S301-C303 PolarHBondContact O-N 2.76Å
302T39.6Very low46.8Very low135 Ų135135.6 Ų135.683%0.82876%0.755SS**  trans-60.780.9149.548.50000107.1S300 S304S300-T302 PolarHBondContact O-N 3.46Å; T302-S304 PolarHBondContact O-N 2.87Å
303C37.2Very low46.8Very low110 Ų110135.2 Ų135.274%0.74376%0.755SS**  trans-80.9105163.4-1450000105.5S301 T305S301-C303 PolarHBondContact O-N 2.76Å; C303-T305 PolarHBondContact O-N 3.42Å; C303-T305 VanDerWaalsContact O-N 3.1Å
304S42.3Very low47.2Very low90 Ų90134.4 Ų134.463%0.62975%0.751SS**  trans-43.6112.7171.5175.80000109.9T302 N306T302-S304 PolarHBondContact O-N 2.87Å; S304-N306 PolarHBondContact O-N 3.36Å
305T41.6Very low47.5Very low134 Ų134139.7 Ų139.782%0.82277%0.772SS**SBendtrans-64.687.5158.134.50000107.8C303C303-T305 PolarHBondContact O-N 3.42Å; C303-T305 VanDerWaalsContact O-N 3.1Å
306N50.3Low47.8Very low126 Ų126139 Ų13967%0.67477%0.766SS**  trans-164.7128.2157.3-76.3-36.4000104.8S304S304-N306 PolarHBondContact O-N 3.36Å
307D48.4Very low48Very low162 Ų162139.6 Ų139.687%0.86676%0.764SS**SBendtrans109.820.6173.3-51.6-21.7000119.2
308I53.1Low47.9Very low143 Ų143138.4 Ų138.473%0.73376%0.763SS**  trans-120.249.5167.7-43.6179000111.6
309D52.6Low47.9Very low162 Ų162139 Ų13987%0.86676%0.76SS**SBendtrans-108.411.4172.1-84.9-28.4000113.6
310N55.2Low48.2Very low152 Ų152140 Ų14081%0.81376%0.761SS**SBendtrans-132.617.5-170.8-96.4-23000118
311Y48.9Very low48.6Very low218 Ų218144.1 Ų144.186%0.85577%0.766SS**SBendtrans-136.415.1175.8-90.2-83.9000115.6
312I53Low48.7Very low131 Ų131144.1 Ų144.167%0.67277%0.766SS**SBendtrans-105.355.5176.6-49.6176.6000109.8
313N52.5Low49Very low141 Ų141145.8 Ų145.875%0.75477%0.77SS**SBendtrans-135.1-5174.5-116.5-2.7000116.8
314D54.6Low49.2Very low143 Ų143145.3 Ų145.377%0.76577%0.768SS**SBendtrans-108.34.9-173-69.3-15.1000115.9
315N53.3Low49.2Very low144 Ų144150.1 Ų150.177%0.7778%0.78SS**SBendtrans-121.612.6-178.6-80.2-26.2000115.3
316K52.9Low49.1Very low176 Ų176152 Ų15277%0.76578%0.784SS**SBendtrans-90.9-3.2176.1-85.6-176.8176.41750114.9
317E49.1Very low48.7Very low174 Ų174154.3 Ų154.381%0.81379%0.793SS**SBendtrans-101.9-4.3-175-140.4176.7175.300115.1
318A48.1Very low48.4Very low79 Ų79154 Ų15465%0.65379%0.791SS**SBendtrans-101.7-8.7-174.400000115.7
319I46.4Very low48Very low145 Ų145156.1 Ų156.174%0.74480%0.798SS**SBendtrans-107.70.2-171.9-60.3176.4000113
320Q50.6Low47.7Very low179 Ų179156.7 Ų156.784%0.83680%0.801SS**SBendtrans-95.59.2175.4-96.3179.3-900115.3
321K48.6Very low47.1Very low186 Ų186159 Ų15981%0.80980%0.804SS**SBendtrans-116.67.4-171.4-87.3178.9177.8170.40117.5
322S45.1Very low46.6Very low97 Ų97153.9 Ų153.968%0.67880%0.799SS**SBendtrans-125.811.1-172.553.90000117.5
323N45Very low46.3Very low169 Ų169156 Ų15690%0.90481%0.812SS**SBendtrans-126.326.3-178.4-94.7-14.8000115.8
324S41.6Very low45.9Very low100 Ų100154.8 Ų154.870%0.69982%0.815SS**SBendtrans-143.573.4176.146.80000110.8
325Q42.1Very low45.4Very low191 Ų191151.3 Ų151.389%0.89381%0.812SS**  trans-171.468.7166.9-111.9175.417.200110.5
326L39.7Very low45.3Very low174 Ų174152.5 Ų152.591%0.91182%0.819SS**SBendtrans-168.657.6163.1-114.4147.7000111.8
327M41.2Very low45.2Very low175 Ų175152.5 Ų152.586%0.86282%0.819SS**SBendtrans-154.7140160-94.7-72-131.700104.8
328D42.2Very low45.3Very low154 Ų154152.7 Ų152.782%0.82482%0.819SS**  trans89.172.5-176.6-55.2-20.3000117.4
329Q45.1Very low45Very low189 Ų189154.2 Ų154.288%0.88383%0.825SS**  trans-137.668.1144.3-71.1-162.52.300110.6
330N47.2Very low44.9Very low173 Ų173152 Ų15293%0.92582%0.822SS**  trans-126.776.4155.5-82.6-24.5000106.6
331K42Very low44.6Very low200 Ų200151.6 Ų151.687%0.8782%0.823SS**  trans-115.2128.1176.5-147.3168.9-174.6179.10109
332C38.7Very low44.6Very low112 Ų112151 Ų15176%0.75783%0.827SS**  trans-43.7131.8-175.8-48.90000114.1
333N46.2Very low44.7Very low174 Ų174151.5 Ų151.593%0.9383%0.828SS**  trans-117.196.6147.9-90.7-10.8000107.7
334S45.4Very low44.5Very low117 Ų117152.8 Ų152.882%0.81883%0.829SS**  trans-84.5131.8161.853.10000108.8
335G44Very low44.9Very low69 Ų69156.3 Ų156.371%0.71184%0.838SS**  trans129.890.4164.300000112.2
336D49.3Very low44.7Very low169 Ų169152.1 Ų152.190%0.90483%0.83SS**  -154138.6120.8-107.5-27.6000112
337K51.7Low45Very low177 Ų177148.3 Ų148.377%0.7782%0.824SS**  trans-81.3152.4-173.4-62.9169.8178.1174.50109.1
338H51.7Low45.3Very low177 Ų177146.3 Ų146.382%0.81982%0.816SS**  156.2125.9126.7-82.3-68.9000111.5
339S41.1Very low45.5Very low112 Ų112144.8 Ų144.878%0.78381%0.808SS**  trans60.3139.5150.3-76.70000119.5
340S45.3Very low45.6Very low97 Ų97145.6 Ų145.668%0.67881%0.805SS**  cis-176.3142.60.942.40000107.6
341M43Very low45.8Very low172 Ų172144 Ų14485%0.84780%0.796SS**  trans57116.2146.9-65.9-164.475.900120.1
342L48.8Very low46.1Very low173 Ų173142.3 Ų142.391%0.90679%0.791SS**  -157.4145122.1-96.1171.1000109.3
343P48.6Very low47Very low108 Ų108145.2 Ų145.270%0.70180%0.799SS**  trans-93.8157.7-164.83.417.5000115.1
344Q40Very low47.2Very low196 Ų196145.1 Ų145.192%0.91679%0.79SS**  trans-66.5150.3171.9-71.8178.5-37.400113.7
345I49.6Very low47.6Very low174 Ų174147.2 Ų147.289%0.89279%0.791SS**  trans-127.8124.1156.2-50.3176.3000107.3
346S38.4Very low47.8Very low103 Ų103150 Ų15072%0.7279%0.789SS**  trans-92.3148.4175.964.40000111.9
347A45.7Very low48.2Very low94 Ų94148.7 Ų148.778%0.77779%0.787SS**  trans-160.1108.314800000110.5
348N48.3Very low47.8Very low132 Ų132146.8 Ų146.871%0.70679%0.785SS**  17.3150.7121.9-6933.7000117.9
349D46Very low47.6Very low123 Ų123144 Ų14466%0.65878%0.78SS**  cis-171.8178.52.7-97.5-33.7000105.8
350Y46.7Very low47.9Very low206 Ų206143.6 Ų143.681%0.80878%0.778SS**  trans94.290.5159.4-78.6-87.8000120.2
351N52.5Low47.6Very low138 Ų138144.1 Ų144.174%0.73878%0.781SS**  128.3134.790.6-142.5-0.7000115.6
352H47.6Very low47.6Very low166 Ų166142.3 Ų142.377%0.76978%0.78SS**  trans-78.7148.9-173-70.1-79.7000113.4
353N57.9Low47.2Very low173 Ų173138.7 Ų138.793%0.92577%0.769SS**  trans-151.4124.9132.7-112.3-16.6000110.7
354K49Very low46.7Very low171 Ų171139.1 Ų139.174%0.74378%0.775SS**  trans-118.5123.7-171.1-153.8-176.7-170.1-173.50106.5
355I55.2Low46.8Very low162 Ų162135.7 Ų135.783%0.83177%0.773SS**  trans-121.4109.2165-66177.6000106.9
356N47.3Very low46.4Very low127 Ų127132.9 Ų132.968%0.67977%0.768SS**  trans-81.5133166-90.9-2.7000108.4
357V58.3Low46.5Very low142 Ų142137.1 Ų137.186%0.86178%0.777SS**  trans-130.6134.8147.6178.20000106.9
358D43Very low46.3Very low136 Ų136140.6 Ų140.673%0.72778%0.782SS**  trans-116.2174.8-154-158.4-2.9000108.8
359V46.8Very low46.1Very low118 Ų118140.6 Ų140.672%0.71579%0.787SS**  trans91.5102.3155-176.40000118.8
360S47.2Very low46Very low105 Ų105141.9 Ų141.973%0.73479%0.794SS**  121100.4128.1-720000118.9
361S39.3Very low45.9Very low107 Ų107144 Ų14475%0.74880%0.8SS**  trans-41.8141.1151.243.80000116.7
362T42.7Very low45.7Very low134 Ų134143.2 Ų143.282%0.82280%0.804SS**  -167.2111129.826.50000111.3
363S41Very low45.8Very low98 Ų98143.1 Ų143.169%0.68581%0.809SS**  trans43.6117133.4540000122.3
364S38.4Very low45.3Very low117 Ų117146.2 Ų146.282%0.81881%0.808SS**  67.8113122.8-40.30000120.2
365S41.6Very low45Very low124 Ų124146.1 Ų146.187%0.86782%0.815SS**  166.3129.4114.4-175.40000111.2
366S41.2Very low44.7Very low114 Ų114147 Ų14780%0.79782%0.815SS**  trans-76.4124.3-177.2-40.50000112.2
367Q40.7Very low44.7Very low193 Ų193150.3 Ų150.390%0.90283%0.827SS**  trans-144.4105.1150.5-76.3-166.5-3100109.7
368N41.5Very low44.1Very low166 Ų166151 Ų15189%0.88883%0.825SS**  trans-71.9125.7158-84.8-43.5000107.7
369V43.5Very low44.6Very low133 Ų133149.5 Ų149.581%0.80682%0.822SS**  trans166.1103.9142.7171.30000104.7
370D44.8Very low44.5Very low150 Ų150151.1 Ų151.180%0.80283%0.827SS**  trans170.8106.2149.5-97-17.6000110.2
371R44.5Very low44.4Very low249 Ų249153.7 Ų153.794%0.9483%0.831SS**  trans-16862.5160.5-111.1173.5-168.8-1744.1111.1
372C47.9Very low44.6Very low122 Ų122155 Ų15582%0.82483%0.825SS**SBendtrans-133.9-6.9167.4-88.50000117.2
373D49.4Very low44.7Very low164 Ų164154 Ų15488%0.87782%0.815SS**SBendtrans-111.443.8-169.7-71.8-20.5000116.4
374R47.5Very low45Very low239 Ų239155.9 Ų155.990%0.90282%0.817SS**  trans-134.621.4179-123.9-179.2-179.7-146-0.1118.4
375L44.2Very low45.5Very low168 Ų168158.6 Ų158.688%0.8882%0.819SS**  trans-105.360.9170.5-65.6176.7000111.7
376Q48.9Very low45.8Very low180 Ų180160.4 Ų160.484%0.84181%0.814SS**  trans-122.5133.9153.1-76.4-176.49.400106.6
377Q45.7Very low46.3Very low198 Ų198157.9 Ų157.993%0.92580%0.796SS**  trans90.781.5-172.7-53.7175.235.800114.6
378L47Very low46.5Very low157 Ų157153.9 Ų153.982%0.82278%0.781SS**  trans-117.5145147.4-82.9170.7000108.9
379P53.6Low46.9Very low104 Ų104152.1 Ų152.168%0.67577%0.771SS**  trans-71.7147.4-169.3-9.726.3000111.7I381P379-I381 PolarHBondContact O-N 3.5Å
380N43.1Very low47.3Very low151 Ų151153 Ų15381%0.80777%0.766SS**  trans-64.194.3171.5-140.59000109.2
381I45.9Very low47.7Very low160 Ų160149.3 Ų149.382%0.82175%0.749SS**  trans-99.483.2167-56.9176.4000106.1P379P379-I381 PolarHBondContact O-N 3.5Å
382Q44.1Very low47.7Very low134 Ų134142.9 Ų142.963%0.62673%0.733SS**  trans-81.4113.6175.7-170.894.5-6.600108.5
383N43.5Very low48Very low112 Ų112143.5 Ų143.560%0.59972%0.724SS**  trans52.786.2144.6-53.3-13.2000119.7
384D47.3Very low47.7Very low139 Ų139141 Ų14174%0.74371%0.71SS**SBendtrans-13512.3161-90.4-28.2000114.4
385M50.1Low47.6Very low174 Ų174135.5 Ų135.586%0.85770%0.697SS**SBendtrans-109.2-8.2179.8-73.8-164.2-69.700115.7
386E48.3Very low47.8Very low161 Ų161135.2 Ų135.275%0.75269%0.693SS**SBendtrans-85.7-13.5175.5-85.1176.5162.800113.7
387S50.6Low47.8Very low62 Ų62133.8 Ų133.843%0.43469%0.688SS.*Hα-helixtrans-79.7-20.7178.660.70000114.3V391S387-V391 WeakPolarHBondContact O-CG2 3.45Å
388N46.1Very low47.9Very low109 Ų109130.5 Ų130.558%0.58368%0.677SS**Hα-helixtrans-90.8-10.1-174.2-75.4-40.8000114.8N392N388-N392 PolarHBondContact O-ND2 3.43Å
389L49.1Very low47.8Very low129 Ų129126.6 Ų126.668%0.67568%0.675SS**Hα-helixtrans-93.7-28.5175.6-155.572.5000112.5
390E51.8Low47.5Very low151 Ų151131.6 Ų131.671%0.70669%0.686SS**Hα-helixtrans-79.9-32.9174.5-74-171.7154.100112.7N392 Q393 L394E390-N392 VanDerWaalsContact C-N 3.32Å; E390-N392 PolarHBondContact O-N 3.06Å; E390-Q393 PolarHBondContact O-N 3.03Å; E390-L394 WeakPolarHBondContact O-CB 3.36Å; E390-L394 PolarHBondContact O-N 3.48Å
391V52.5Low47.4Very low73 Ų73130.8 Ų130.844%0.44269%0.687SS.*Hα-helixtrans-64.8-34.8178.1170.90000112.1S387 I395S387-V391 WeakPolarHBondContact O-CG2 3.45Å; V391-I395 HydrophobicContact CG1-CD1 3.9Å; V391-I395 VanDerWaalsContact O-CD1 3.27Å; V391-I395 WeakPolarHBondContact O-CD1 3.39Å; V391-I395 WeakPolarHBondContact O-CG1 3.45Å; V391-I395 PolarHBondContact O-N 3.19Å
392N46.1Very low47.3Very low114 Ų114134.9 Ų134.961%0.6169%0.692SS**Hα-helixtrans-80.1-15.1178.1-74.1-36.8000114.4N388 E390N388-N392 PolarHBondContact O-ND2 3.43Å; E390-N392 VanDerWaalsContact C-N 3.32Å; E390-N392 PolarHBondContact O-N 3.06Å
393Q53.6Low47.2Very low134 Ų134137.4 Ų137.463%0.62670%0.701SS**Hα-helixtrans-95.2-23.1171.7-76.5-178.241.700113.1E390E390-Q393 PolarHBondContact O-N 3.03Å
394L42.8Very low47.5Very low112 Ų112140 Ų14059%0.58671%0.714SS**Hα-helixtrans-82.2-20.1178.2-15273.8000113.4E390 M396 N398E390-L394 WeakPolarHBondContact O-CB 3.36Å; E390-L394 PolarHBondContact O-N 3.48Å; L394-M396 VanDerWaalsContact C-N 3.34Å; L394-N398 PolarHBondContact O-ND2 2.77Å
395I45.7Very low47.5Very low123 Ų123137.7 Ų137.763%0.63171%0.709SS**THydrogen-bonded Turntrans-75.1-20.9177.5-71.1167.3000112.5V391V391-I395 HydrophobicContact CG1-CD1 3.9Å; V391-I395 VanDerWaalsContact O-CD1 3.27Å; V391-I395 WeakPolarHBondContact O-CD1 3.39Å; V391-I395 WeakPolarHBondContact O-CG1 3.45Å; V391-I395 PolarHBondContact O-N 3.19Å
396M47.9Very low47Very low162 Ų162136.6 Ų136.680%0.79871%0.706SS**THydrogen-bonded Turntrans-87-1.5178.1-66-157.9-64.300114.9L394L394-M396 VanDerWaalsContact C-N 3.34Å
397M49.8Very low46.6Very low150 Ų150136.7 Ų136.774%0.73971%0.706SS**SBendtrans-124.19.8-174.9-74.8-161.7-74.800115.8
398N46.5Very low46.2Very low129 Ų129140.3 Ų140.369%0.6972%0.716SS**  trans-117.765179.3-74.3-40.6000112.9L394 K400L394-N398 PolarHBondContact O-ND2 2.77Å; N398-K400 PolarHBondContact O-N 2.64Å
399G46.2Very low46Very low76 Ų76144.7 Ų144.778%0.78473%0.726SS**  trans-83.298166.800000111.8
400K47.7Very low45.5Very low208 Ų208145.3 Ų145.390%0.90473%0.725SS**  trans10108.8159.6-80.1171.9173.7171.70118N398N398-K400 PolarHBondContact O-N 2.64Å
401V39.4Very low45.1Very low134 Ų134145.1 Ų145.181%0.81273%0.729SS**  trans-116.2106.8146178.80000107.3
402R44.9Very low44.5Very low247 Ų247146.6 Ų146.693%0.93274%0.743SS**  trans-135.6119.9159.3-147.1-177.8-71.6-175.9-0.4109.3
403K41.8Very low44.2Very low186 Ų186146 Ų14681%0.80975%0.748SS**  trans-73.7140.4-174.3-63.7170.7173.2179.60111.5
404L49.1Very low43.5Very low168 Ų168147.7 Ų147.788%0.8876%0.756SS**  trans-139.991.2156.2-67.4173.9000104.5
405S47Very low43.2Very low90 Ų90150 Ų15063%0.62976%0.763SS**  57.2111.698.479.60000116.2
406N40.1Very low43.2Very low151 Ų151151.1 Ų151.181%0.80778%0.776SS**  trans64126147.9-46.1-11.1000116.2
407H41.1Very low42.8Very low162 Ų162150.6 Ų150.675%0.7577%0.774SS**  -164.7156.951.9-136-64.1000110.4
408E41Very low42.4Very low138 Ų138151.2 Ų151.265%0.64578%0.776SS**  trans-49.5144.8174.6-57.3144.2153.100115.4
409Y42.8Very low42.2Very low201 Ų201150.7 Ų150.779%0.78877%0.772SS**  179.9158.998.9-114.7-87.8000111.9
410E38.7Very low42Very low142 Ų142155.4 Ų155.466%0.66477%0.774SS**  trans-76177-160.8-60.1164.8128.400117.1
411N42.5Very low41.5Very low148 Ų148153.6 Ų153.679%0.79177%0.769SS**  trans83.1142.7154-62.1-27.8000116.1
412S39.8Very low41.3Very low104 Ų104152.7 Ų152.773%0.72776%0.764SS**  cis-170.4155.7-6.5165.40000105.4
413S39Very low41.4Very low101 Ų101148.7 Ų148.771%0.70676%0.761SS**  trans-48.8170.8179-49.60000117.8
414Q40Very low41.1Very low170 Ų170148.8 Ų148.879%0.79476%0.764SS**  trans102.2104.7156.6-70.7168.7-48.700116
415E37Very low40.8Very low161 Ų161145.7 Ų145.775%0.75276%0.757SS**  90.2101.474.8-172180-134.400110.7
416V45.7Very low40.5Very low146 Ų146148.1 Ų148.189%0.88576%0.763SS**  trans-149.3105151.2-177.30000109.3
417I38.6Very low40.5Very low150 Ų150149.2 Ų149.277%0.76977%0.767SS**  trans-95.7131.5158.6-66.9168.5000106.1
418Q41.6Very low40.5Very low164 Ų164149.8 Ų149.877%0.76677%0.77SS**  trans174.2148133.4-104.8177.7-4.600114.4
419N41.4Very low40.4Very low117 Ų117147.8 Ų147.863%0.62677%0.772SS**  trans90.4126.2156.6-60.7-15.7000116.7
420H42.9Very low40.4Very low175 Ų175145.4 Ų145.481%0.8177%0.772SS**  cis-153.8146.39.9-98.7-56.5000110.8
421Q36.4Very low40.6Very low171 Ų171147.5 Ų147.580%0.79978%0.779SS**  trans-104.8159.4170.6-129.11734.500109.8
422T36.6Very low40.5Very low115 Ų115145.8 Ų145.871%0.70677%0.774SS**  trans73.3120.5153.747.10000120.2
423N46.4Very low40.7Very low162 Ų162147.6 Ų147.687%0.86678%0.776SS**  -165.1110.8109-86.3-20.3000111.5
424E35.7Very low40.9Very low188 Ų188149 Ų14988%0.87978%0.775SS**  trans-82.3143.1154.9-69.7-178.1152.300108.8
425S42.2Very low41.2Very low104 Ų104148.3 Ų148.373%0.72778%0.777SS**  164.9141.3122.752.20000113.5
426N41.1Very low41.5Very low141 Ų141147.9 Ų147.975%0.75478%0.78SS**  trans75.7107.6148.1-63.3-20.7000119.9
427L41.2Very low41.7Very low173 Ų173148.5 Ų148.591%0.90678%0.778SS**  -177.5139.593.2-101.2144000113.3
428Q39.7Very low42.4Very low175 Ų175147.9 Ų147.982%0.81878%0.782SS**  trans-76.1161.3-177.8-85.8158.7-55.600114.9
429S40.1Very low42.6Very low96 Ų96148.7 Ų148.767%0.67179%0.785SS**  trans80.9110.3146.374.50000118.3
430N42.3Very low43Very low150 Ų150148.4 Ų148.480%0.80279%0.788SS**  177.2127.483.1-95-36.7000112.9
431K41.8Very low43.5Very low187 Ų187148.9 Ų148.981%0.81379%0.787SS**  trans15.4129.9143.9-84.8-175.6170.8176.70121.7
432V40.3Very low44.3Very low111 Ų111147.6 Ų147.667%0.67379%0.785SS**  80.2102.2125.1178.30000117.1
433N45Very low44.9Very low143 Ų143149.4 Ų149.477%0.76579%0.787SS**  172.6146.3100.2-107.3-22.9000113.1
434N42.6Very low45.2Very low130 Ų130148 Ų14870%0.69578%0.78SS**  trans-35.3143.9174-54.9-26.3000116.7
435N47.8Very low45.8Very low156 Ų156146.9 Ų146.983%0.83478%0.775SS**  179.9132110.6-84.5-17.3000112.3
436N43.4Very low46.1Very low152 Ų152149.8 Ų149.881%0.81378%0.781SS**  trans-57132.4167.6-55.5-38.2000110.1
437D49.9Very low46.4Very low158 Ų158148.7 Ų148.785%0.84578%0.78SS**  trans-17520.7158.8-98.7-18.8000116.4
438T51.3Low46.6Very low138 Ų138143.6 Ų143.685%0.84777%0.769SS**SBendtrans-107.70.9-175.641.70000116.2
439E46Very low47Very low181 Ų181144.9 Ų144.985%0.84677%0.772SS**SBendtrans-107.71.4-170.9-144.4167.6-170.400115.5
440V51.5Low47.1Very low111 Ų111148.9 Ų148.967%0.67379%0.785SS**SBendtrans-101.1-6.8179.3-179.10000112.9
441K51.7Low47.3Very low185 Ų185150.3 Ų150.380%0.80479%0.787SS**SBendtrans-90.8-5.9-171.3-143171.5-176.2177.80115.5
442L53.3Low47.3Very low144 Ų144146.7 Ų146.775%0.75478%0.78SS**SBendtrans-104.2-8.8177.3-83.8161.4000114.2
443M49.3Very low47.7Very low152 Ų152149.2 Ų149.275%0.74979%0.79SS**SBendtrans-97.5-5.9-177.1-80.7-76.9-78.800114.8
444N53.8Low47.5Very low132 Ų132149.7 Ų149.771%0.70679%0.793SS**SBendtrans-1062.1-179.4-78.9-22.7000114.6
445E47.7Very low47.9Very low166 Ų166151.3 Ų151.378%0.77680%0.8SS**SBendtrans-100.32.4-176.5-147.4164.7-166.500113.6
446L49.5Very low47.4Very low164 Ų164149.3 Ų149.386%0.85980%0.799SS**SBendtrans-115.53-178.9-86.7160.9000115.1
447T47.3Very low47.7Very low119 Ų119149.8 Ų149.873%0.7380%0.799SS**SBendtrans-112.914.3-169.2-10.90000115
448G43.8Very low47.6Very low66 Ų66149.7 Ų149.768%0.6880%0.799SS**  trans-126.671.1-175.100000113.4
449K48.5Very low47.1Very low201 Ų201151.7 Ų151.787%0.87480%0.798SS**  trans-179.799.4161.7-98.7151.7-168.7-176.40108.6
450L43.3Very low47.1Very low181 Ų181150.6 Ų150.695%0.94880%0.799SS**  trans164.687.7146.5-87.3161.7000108.2
451Q45.1Very low46.8Very low180 Ų180154 Ų15484%0.84181%0.807SS**  trans-107.8130.2165.2-106.3178.8-19.100109
452T42.2Very low46.3Very low110 Ų110154.1 Ų154.168%0.67581%0.813SS**  trans62.2114.2144.963.30000119.2
453N48.9Very low45.8Very low164 Ų164151.8 Ų151.888%0.87781%0.808SS**  -154.5122.6120.5-87.1-29000109.8
454D41.6Very low45.4Very low154 Ų154153.3 Ų153.382%0.82481%0.811SS**  trans-59.6140.4173.2-63.2-57.9000111.9
455L49.4Very low44.8Very low163 Ų163155.6 Ų155.685%0.85382%0.817SS**  trans-162.4113.3151.2-103.5150.6000109.8
456S38.7Very low44.4Very low115 Ų115155.4 Ų155.480%0.80482%0.821SS**  trans-75.5120.3173.743.20000110.7
457I48.6Very low44.2Very low161 Ų161155.6 Ų155.683%0.82682%0.817SS**  trans-137.2130.6162.7-60.7-176.6000110.7
458N47.7Very low43.6Very low156 Ų156155.2 Ų155.283%0.83482%0.82SS**  trans-53.6143.7-171.1-123.8-25.1000116.4
459H40.7Very low43.6Very low180 Ų180158.2 Ų158.283%0.83382%0.819SS**  trans-70.3122.1158.7-84-76.4000110.4
460N46.2Very low42.9Very low159 Ų159158 Ų15885%0.8582%0.821SS**  trans-169.5154139-119.3-14000112.4
461E45.3Very low42.9Very low183 Ų183156 Ų15686%0.85581%0.81SS**  trans95.990.8166.4-54.5-165.1163.900118.7
462M41.3Very low42.6Very low186 Ų186154.4 Ų154.492%0.91681%0.808SS**  trans-60.7128.3146.4-70.5-169.6-70.400111.3
463S42.2Very low42.7Very low95 Ų95157 Ų15766%0.66482%0.817SS**  176.2125.2129.3-106.40000113.8
464K42.3Very low42.1Very low184 Ų184156.9 Ų156.980%0.882%0.816SS**  trans54.295.8132-59.4175.9-178.2176.20117.8
465H41Very low42Very low181 Ų181154.7 Ų154.784%0.83881%0.812SS**  trans-149.399.6138.7-125.853.7000111.9
466N40.1Very low41.9Very low161 Ų161156.1 Ų156.186%0.86181%0.812SS**  trans-81109.4158.2-86.7-21.7000106.9
467H43.8Very low42.1Very low169 Ų169159.2 Ų159.278%0.78281%0.814SS**  trans-162.5129.7154-113.744.6000111.9
468S35.1Very low41.9Very low111 Ų111159.3 Ų159.378%0.77682%0.816SS**  trans72139.6157.9-138.50000113.4
469I43.7Very low41.7Very low128 Ų128160 Ų16066%0.65681%0.814SS**  -165.4129.262.3-76165.5000107.4L471I469-L471 HydrophobicContact CG2-CB 4.47Å; I469-L471 HydrophobicContact CG2-CD1 3.86Å; I469-L471 HydrophobicContact CG2-CG 3.61Å; I469-L471 PolarHBondContact O-N 3.06Å
470Q33.9Very low42Very low196 Ų196157.8 Ų157.892%0.91681%0.807SS**  trans-72.3110.3163.4-163.6170.811.400107.1
471L44Very low42.1Very low140 Ų140155.2 Ų155.273%0.73380%0.798SS**  trans-116.3113.9175-92.7160.4000109.4I469 L473I469-L471 HydrophobicContact CG2-CB 4.47Å; I469-L471 HydrophobicContact CG2-CD1 3.86Å; I469-L471 HydrophobicContact CG2-CG 3.61Å; I469-L471 PolarHBondContact O-N 3.06Å; L471-L473 PolarHBondContact O-N 2.71Å
472D37.2Very low42Very low147 Ų147155.7 Ų155.779%0.78679%0.793SS**  trans-56114.9166.7-75.7-44.4000110.6
473L44.6Very low42.1Very low165 Ų165153.3 Ų153.386%0.86478%0.78SS**  trans-117.468.1168.1-72.2174000109.5L471L471-L473 PolarHBondContact O-N 2.71Å
474N36.2Very low42.3Very low161 Ų161154.6 Ų154.686%0.86178%0.779SS**  trans-104.181.3164.7-89.5-24.6000109
475S40.1Very low42.5Very low107 Ų107152.9 Ų152.975%0.74877%0.774SS**SBendtrans175.6103.6157.2-177.70000108.8
476K46.4Very low42.6Very low193 Ų193149.1 Ų149.184%0.83976%0.759SS**  trans147.310.2153.5-80.9174.8176-1760117.5N478K476-N478 PolarHBondContact O-N 2.85Å
477E44Very low42.6Very low181 Ų181150.7 Ų150.785%0.84675%0.754SS**THydrogen-bonded Turntrans-88.412.4-179.4-72.6-166.8152.800116.7
478N45.1Very low42.6Very low162 Ų162147.5 Ų147.587%0.86675%0.746SS**THydrogen-bonded Turntrans-98.77.6-173.1-82-9.6000116.7K476K476-N478 PolarHBondContact O-N 2.85Å
479E41.7Very low43Very low170 Ų170147.5 Ų147.579%0.79474%0.742SS**SBendtrans-121-11.1-173.8-130.9165.5-169.200115.2
480L47Very low42.9Very low134 Ų134146.4 Ų146.470%0.70274%0.742SS**SBendtrans-96.1-4-174.7-89149.3000115.3
481T49.3Very low43.4Very low106 Ų106146.4 Ų146.465%0.6574%0.739SS**SBendtrans-96.6-10.4-178.540.20000114
482Y42.1Very low43.5Very low192 Ų192146 Ų14675%0.75373%0.734SS**SBendtrans-94.1-28.9-178.5-124.1-94.2000114.1
483E43.8Very low43.7Very low137 Ų137146.1 Ų146.164%0.6474%0.735SS**SBendtrans-81.1-29.9-178.4-80-173.9144.500114.1H485 I486 Y487E483-H485 VanDerWaalsContact C-N 3.25Å; E483-H485 PolarHBondContact O-N 3.48Å; E483-I486 PolarHBondContact O-N 3.43Å; E483-Y487 PolarHBondContact O-N 3.37Å
484N47.8Very low44Very low122 Ų122147.5 Ų147.565%0.65274%0.737SS**THydrogen-bonded Turntrans-71.3-16.8179.5-92.8-33.3000114T488N484-T488 PolarHBondContact O-OG1 3.22Å
485H45.2Very low44.5Very low147 Ų147146 Ų14668%0.68172%0.724SS**THydrogen-bonded Turntrans-87.6-19.8175.3-106.9-16.7000113.9E483 T489E483-H485 VanDerWaalsContact C-N 3.25Å; E483-H485 PolarHBondContact O-N 3.48Å; H485-T489 PolarHBondContact O-OG1 2.85Å
486I43.2Very low45.4Very low103 Ų103143.6 Ų143.653%0.52871%0.708SS.*THydrogen-bonded Turntrans-87.7-29.8-178.7-63176.5000111.4E483 T490E483-I486 PolarHBondContact O-N 3.43Å; I486-T490 PolarHBondContact O-OG1 3.49Å; I486-T490 VanDerWaalsContact O-OG1 3.09Å
487Y39.6Very low46Very low193 Ų193141.3 Ų141.376%0.75771%0.705SS**THydrogen-bonded Turntrans-75.2-24.7-179.8-97.9-86000114.8E483E483-Y487 PolarHBondContact O-N 3.37Å
488T43.9Very low46.9Very low102 Ų102137 Ų13763%0.62669%0.691SS**THydrogen-bonded Turntrans-80.5-15176.136.40000114.5N484N484-T488 PolarHBondContact O-OG1 3.22Å
489T43.4Very low47.9Very low112 Ų112132.4 Ų132.469%0.68767%0.666SS**THydrogen-bonded Turntrans-98.3-9.5-173.6-470000113.5H485H485-T489 PolarHBondContact O-OG1 2.85Å
490T41.9Very low49.1Very low105 Ų105132.9 Ų132.964%0.64466%0.661SS**SBendtrans-100.99.8-168.7-47.20000114.2I486I486-T490 PolarHBondContact O-OG1 3.49Å; I486-T490 VanDerWaalsContact O-OG1 3.09Å
491K45.3Very low50.4Low196 Ų196133.7 Ų133.785%0.85266%0.659SS**SBendtrans-126.518.6-176.2-89.3-171.9176.8-178.50117.3
492M45.7Very low51.5Low130 Ų130133.2 Ų133.264%0.6465%0.652SS**  trans-11747.8-179-68.5-99.6-71.500113.3H494 E495M492-H494 PolarHBondContact O-N 3.43Å; M492-E495 VanDerWaalsContact CE-OE2 3.28Å; M492-E495 WeakPolarHBondContact CE-OE2 3.42Å
493N42Very low53.3Low150 Ų150129.3 Ų129.380%0.80264%0.643SS**  trans-87.879.4173-76.7-21.9000110.5
494H50.1Low55.1Low194 Ų194130.1 Ų130.190%0.89865%0.645SS**  trans175.573.3151.8-95.8-55.4000109.2M492M492-H494 PolarHBondContact O-N 3.43Å
495E47.5Very low56.6Low129 Ų129129.4 Ų129.460%0.60364%0.637SS**  trans-140.9146.3176.5-112.6165.8-170.300112.4M492M492-E495 VanDerWaalsContact CE-OE2 3.28Å; M492-E495 WeakPolarHBondContact CE-OE2 3.42Å
496S58.9Low58.2Low57 Ų57128 Ų12840%0.39963%0.633SS.*  trans-61.2154.2-157.978.70000113.9T498 D499S496-T498 PolarHBondContact O-N 3.34Å; S496-T498 WeakPolarHBondContact OG-CB 3.38Å; S496-T498 PolarHBondContact OG-N 3.23Å; S496-T498 PolarHBondContact OG-OG1 2.85Å; S496-D499 PolarHBondContact O-N 3.09Å; S496-D499 VanDerWaalsContact O-N 3.13Å; S496-D499 PolarHBondContact OG-OD2 3.07Å
497N58.5Low60.1Low145 Ų145126.3 Ų126.378%0.77563%0.627SS**Hα-helixtrans-54.6-16.4172.8-94.6-29.8000113.8
498T63.5Low62.3Low91 Ų91123.8 Ų123.856%0.55862%0.62SS**Hα-helixtrans-72.9-39.4179.9-30.30000111.9S496 K501 N502S496-T498 PolarHBondContact O-N 3.34Å; S496-T498 WeakPolarHBondContact OG-CB 3.38Å; S496-T498 PolarHBondContact OG-N 3.23Å; S496-T498 PolarHBondContact OG-OG1 2.85Å; T498-K501 PolarHBondContact O-N 3.15Å; T498-N502 PolarHBondContact O-N 3.15Å
499D66.4Low64.2Low66 Ų66123.2 Ų123.235%0.35361%0.613SS.*Hα-helixtrans-73.8-33.8-175.6-59.1-53.2000111.9S496 K501 N502 I503S496-D499 PolarHBondContact O-N 3.09Å; S496-D499 VanDerWaalsContact O-N 3.13Å; S496-D499 PolarHBondContact OG-OD2 3.07Å; D499-K501 VanDerWaalsContact C-N 3.27Å; D499-K501 PolarHBondContact O-N 3.17Å; D499-N502 PolarHBondContact O-N 3.01Å; D499-I503 VanDerWaalsContact O-CG1 3.3Å; D499-I503 WeakPolarHBondContact O-CG1 3.19Å; D499-I503 PolarHBondContact O-N 2.84Å
500R66.6Low66.2Low179 Ų179123.4 Ų123.468%0.67561%0.605SS**Hα-helixtrans-62.2-32.6171.3-81.9-174.8176.8-179.4-0113K504R500-K504 WeakPolarHBondContact O-CG 3.44Å; R500-K504 PolarHBondContact O-N 3.35Å
501K74.2Confident68.4Low151 Ų151122.9 Ų122.966%0.65760%0.597SS**Hα-helixtrans-73.3-43.6178.8-162.3176.9179.1-175.70110.9T498 D499 I503 K504 E505T498-K501 PolarHBondContact O-N 3.15Å; D499-K501 VanDerWaalsContact C-N 3.27Å; D499-K501 PolarHBondContact O-N 3.17Å; K501-I503 PolarHBondContact O-N 3.45Å; K501-K504 PolarHBondContact O-N 3.49Å; K501-E505 PolarHBondContact O-N 3.24Å
502N72.3Confident70.3Confident96 Ų96119.1 Ų119.151%0.51358%0.582SS.*Hα-helixtrans-63.4-40.4176.4-74.4-17.8000112.6T498 D499 E505 M506T498-N502 PolarHBondContact O-N 3.15Å; D499-N502 PolarHBondContact O-N 3.01Å; N502-E505 PolarHBondContact O-N 3.08Å; N502-M506 WeakPolarHBondContact O-CB 3.34Å; N502-M506 PolarHBondContact O-N 2.9Å
503I78.8Confident72.2Confident110 Ų110117.8 Ų117.856%0.56458%0.575SS**Hα-helixtrans-66.2-39.8176.8-66.5167.1000111.4D499 K501 T507D499-I503 VanDerWaalsContact O-CG1 3.3Å; D499-I503 WeakPolarHBondContact O-CG1 3.19Å; D499-I503 PolarHBondContact O-N 2.84Å; K501-I503 PolarHBondContact O-N 3.45Å; I503-T507 PolarHBondContact O-N 3.47Å; I503-T507 PolarHBondContact O-OG1 2.9Å
504K81.8Confident74.4Confident155 Ų155119.4 Ų119.467%0.67457%0.569SS**Hα-helixtrans-65.4-38.2175.4-78.2-179179.5-175.70112.5R500 K501 T507 K508R500-K504 WeakPolarHBondContact O-CG 3.44Å; R500-K504 PolarHBondContact O-N 3.35Å; K501-K504 PolarHBondContact O-N 3.49Å; K504-T507 WeakPolarHBondContact CA-OG1 3.46Å; K504-T507 PolarHBondContact O-OG1 3.42Å; K504-K508 WeakPolarHBondContact O-CB 3.37Å; K504-K508 PolarHBondContact O-N 3.26Å
505E80.5Confident76.3Confident107 Ų107117.2 Ų117.250%0.556%0.557SS.*Hα-helixtrans-72.1-40.9178.2-164158.2-178.600111.7K501 N502 T507 K508 N509K501-E505 PolarHBondContact O-N 3.24Å; N502-E505 PolarHBondContact O-N 3.08Å; E505-T507 VanDerWaalsContact C-N 3.34Å; E505-T507 PolarHBondContact O-N 3.11Å; E505-K508 PolarHBondContact O-N 3.42Å; E505-N509 VanDerWaalsContact O-CG 3.29Å; E505-N509 PolarHBondContact O-N 3.15Å
506M78Confident78Confident117 Ų117118.9 Ų118.958%0.57656%0.559SS**Hα-helixtrans-65.2-36175.8-158.4-178.878.400112.5N502 K510N502-M506 WeakPolarHBondContact O-CB 3.34Å; N502-M506 PolarHBondContact O-N 2.9Å; M506-K510 PolarHBondContact O-N 3.05Å; M506-K510 VanDerWaalsContact O-N 3.14Å
507T83.5Confident79.5Confident68 Ų68121.5 Ų121.542%0.41756%0.563SS.*Hα-helixtrans-71.7-38.4174.440.40000112.4I503 K504 E505 K510 I511I503-T507 PolarHBondContact O-N 3.47Å; I503-T507 PolarHBondContact O-OG1 2.9Å; K504-T507 WeakPolarHBondContact CA-OG1 3.46Å; K504-T507 PolarHBondContact O-OG1 3.42Å; E505-T507 VanDerWaalsContact C-N 3.34Å; E505-T507 PolarHBondContact O-N 3.11Å; T507-K510 PolarHBondContact O-N 3.44Å; T507-I511 WeakPolarHBondContact O-CG1 3.37Å; T507-I511 PolarHBondContact O-N 3.31Å; T507-I511 VanDerWaalsContact O-N 3.1Å
508K86.1Confident81Confident139 Ų139122 Ų12260%0.60456%0.558SS**Hα-helixtrans-60.5-47.2173.1-171-179.2176.5-172.50111.6K504 E505 K510 I511 E512K504-K508 WeakPolarHBondContact O-CB 3.37Å; K504-K508 PolarHBondContact O-N 3.26Å; E505-K508 PolarHBondContact O-N 3.42Å; K508-K510 VanDerWaalsContact C-N 3.35Å; K508-K510 PolarHBondContact O-N 2.83Å; K508-I511 PolarHBondContact O-N 3.47Å; K508-I511 VanDerWaalsContact O-N 3.15Å; K508-E512 PolarHBondContact O-N 2.99Å
509N83.3Confident82.2Confident90 Ų90123.3 Ų123.348%0.48156%0.558SS.*Hα-helixtrans-62.2-39.9178.5-68.3-9000112.1E505 I511 E512 E513E505-N509 VanDerWaalsContact O-CG 3.29Å; E505-N509 PolarHBondContact O-N 3.15Å; N509-I511 PolarHBondContact O-N 2.92Å; N509-E512 PolarHBondContact O-N 3Å; N509-E513 WeakPolarHBondContact O-CB 3.43Å; N509-E513 PolarHBondContact O-N 2.92Å
510K85.1Confident83.3Confident117 Ų117124.1 Ų124.151%0.50956%0.562SS.*Hα-helixtrans-63.2-37.2174.1-92.8-177.1175.5177.80113.3M506 T507 K508 R514M506-K510 PolarHBondContact O-N 3.05Å; M506-K510 VanDerWaalsContact O-N 3.14Å; T507-K510 PolarHBondContact O-N 3.44Å; K508-K510 VanDerWaalsContact C-N 3.35Å; K508-K510 PolarHBondContact O-N 2.83Å; K510-R514 WeakPolarHBondContact O-CG 3.42Å; K510-R514 PolarHBondContact O-N 2.8Å
511I87.5Confident84.3Confident94 Ų94120.3 Ų120.348%0.48255%0.554SS.*Hα-helixtrans-69.7-40.8177.5-68.6166.2000110.4T507 K508 N509 R514 K515T507-I511 WeakPolarHBondContact O-CG1 3.37Å; T507-I511 PolarHBondContact O-N 3.31Å; T507-I511 VanDerWaalsContact O-N 3.1Å; K508-I511 PolarHBondContact O-N 3.47Å; K508-I511 VanDerWaalsContact O-N 3.15Å; N509-I511 PolarHBondContact O-N 2.92Å; I511-R514 PolarHBondContact O-N 3.26Å; I511-K515 PolarHBondContact O-N 3.35Å
512E86.5Confident85.1Confident117 Ų117117.7 Ų117.755%0.54754%0.544SS..Hα-helixtrans-67.3-41.4178.6-161.2157.9-160.100112K508 N509 R514 K515 Y516K508-E512 PolarHBondContact O-N 2.99Å; N509-E512 PolarHBondContact O-N 3Å; E512-R514 VanDerWaalsContact C-N 3.33Å; E512-R514 PolarHBondContact O-N 3.03Å; E512-K515 WeakPolarHBondContact O-CB 3.45Å; E512-K515 PolarHBondContact O-N 2.97Å; E512-Y516 PolarHBondContact O-N 3.1Å
513E85.5Confident85.8Confident102 Ų102115.5 Ų115.548%0.47753%0.534SS..Hα-helixtrans-59.9-40.7172.7-166.7-167.3154.600112.1N509 Y516 K517N509-E513 WeakPolarHBondContact O-CB 3.43Å; N509-E513 PolarHBondContact O-N 2.92Å; E513-Y516 PolarHBondContact O-N 2.93Å; E513-K517 WeakPolarHBondContact O-CB 3.49Å; E513-K517 PolarHBondContact O-N 3.31Å; E513-K517 WeakPolarHBondContact OE1-CE 3.45Å; E513-K517 IonicContact OE1-NZ 2.72Å; E513-K517 PolarHBondContact OE1-NZ 2.87Å
514R87.7Confident86.2Confident184 Ų184114.6 Ų114.669%0.69453%0.53SS*.Hα-helixtrans-65.3-38.3175.5-76.6177.1177.9173.7-1.5112.4K510 I511 E512 K518K510-R514 WeakPolarHBondContact O-CG 3.42Å; K510-R514 PolarHBondContact O-N 2.8Å; I511-R514 PolarHBondContact O-N 3.26Å; E512-R514 VanDerWaalsContact C-N 3.33Å; E512-R514 PolarHBondContact O-N 3.03Å; R514-K518 WeakPolarHBondContact O-CB 3.47Å; R514-K518 PolarHBondContact O-N 3.19Å
515K89.4Confident86.5Confident148 Ų148112.4 Ų112.464%0.64352%0.522SS*.Hα-helixtrans-63.8-45.2174.7-74.3-179.3179.3-177.30111.3I511 E512 K518 H519I511-K515 PolarHBondContact O-N 3.35Å; E512-K515 WeakPolarHBondContact O-CB 3.45Å; E512-K515 PolarHBondContact O-N 2.97Å; K515-K518 PolarHBondContact O-N 3.37Å; K515-H519 PolarHBondContact O-N 3.13Å
516Y84.5Confident86.7Confident163 Ų163111.6 Ų111.664%0.63952%0.518SS*.Hα-helixtrans-63.7-45.6178.3-171-94.6000112.1E512 E513 K518 H519 L520E512-Y516 PolarHBondContact O-N 3.1Å; E513-Y516 PolarHBondContact O-N 2.93Å; Y516-K518 PolarHBondContact O-N 3.36Å; Y516-H519 PolarHBondContact O-N 2.91Å; Y516-L520 WeakPolarHBondContact O-CB 3.2Å; Y516-L520 PolarHBondContact O-N 2.94Å
517K89.3Confident87Confident113 Ų113110.3 Ų110.349%0.49151%0.513SS..Hα-helixtrans-59.5-43.1175.2-82.4175.1170.4164.10112.5E513 L520 I521E513-K517 WeakPolarHBondContact O-CB 3.49Å; E513-K517 PolarHBondContact O-N 3.31Å; E513-K517 WeakPolarHBondContact OE1-CE 3.45Å; E513-K517 IonicContact OE1-NZ 2.72Å; E513-K517 PolarHBondContact OE1-NZ 2.87Å; K517-L520 PolarHBondContact O-N 2.89Å; K517-I521 VanDerWaalsContact O-CG1 3.31Å; K517-I521 WeakPolarHBondContact O-CG1 3.41Å; K517-I521 PolarHBondContact O-N 3.18Å
518K91Very high86.9Confident154 Ų154111.5 Ų111.567%0.6752%0.517SS*.Hα-helixtrans-62.7-43176.4-172.9179.6178.2-177.50111.8R514 K515 Y516 Q522R514-K518 WeakPolarHBondContact O-CB 3.47Å; R514-K518 PolarHBondContact O-N 3.19Å; K515-K518 PolarHBondContact O-N 3.37Å; Y516-K518 PolarHBondContact O-N 3.36Å; K518-Q522 PolarHBondContact O-N 2.73Å; K518-Q522 VanDerWaalsContact O-N 3.1Å
519H89.2Confident86.8Confident119 Ų119111.3 Ų111.355%0.55152%0.516SS*.Hα-helixtrans-64.3-44.4177.6-17360.3000111.9K515 Y516 I521 Q522 T523K515-H519 PolarHBondContact O-N 3.13Å; Y516-H519 PolarHBondContact O-N 2.91Å; H519-I521 PolarHBondContact O-N 3.11Å; H519-Q522 WeakPolarHBondContact O-CB 3.18Å; H519-Q522 PolarHBondContact O-N 3.42Å; H519-T523 PolarHBondContact O-N 3.47Å; H519-T523 PolarHBondContact O-OG1 3.18Å; H519-T523 VanDerWaalsContact O-OG1 3.09Å
520L87.8Confident86.7Confident84 Ų84113.8 Ų113.844%0.4452%0.523SS..Hα-helixtrans-60.3-45.1177.5-176.166.2000112.3Y516 K517 Q522 T523 L524Y516-L520 WeakPolarHBondContact O-CB 3.2Å; Y516-L520 PolarHBondContact O-N 2.94Å; K517-L520 PolarHBondContact O-N 2.89Å; L520-Q522 VanDerWaalsContact C-N 3.3Å; L520-Q522 PolarHBondContact O-N 3Å; L520-T523 PolarHBondContact O-N 3.28Å; L520-L524 HydrophobicContact CG-CD1 4.35Å; L520-L524 WeakPolarHBondContact O-CG 3.4Å; L520-L524 PolarHBondContact O-N 2.86Å
521I89.2Confident86.2Confident98 Ų98112.9 Ų112.950%0.50352%0.52SS..Hα-helixtrans-60.7-41.8176.2-68.7167.2000110.6K517 H519 L524 Q525K517-I521 VanDerWaalsContact O-CG1 3.31Å; K517-I521 WeakPolarHBondContact O-CG1 3.41Å; K517-I521 PolarHBondContact O-N 3.18Å; H519-I521 PolarHBondContact O-N 3.11Å; I521-L524 PolarHBondContact O-N 2.98Å; I521-Q525 WeakPolarHBondContact O-CG 3.42Å; I521-Q525 PolarHBondContact O-N 2.82Å; I521-Q525 VanDerWaalsContact O-N 3.08Å
522Q89.2Confident85.4Confident96 Ų96114.3 Ų114.345%0.44953%0.528SS..Hα-helixtrans-64.3-42.5177.4-172.8174.2-9.600112.2K518 H519 L520 Q525 E526K518-Q522 PolarHBondContact O-N 2.73Å; K518-Q522 VanDerWaalsContact O-N 3.1Å; H519-Q522 WeakPolarHBondContact O-CB 3.18Å; H519-Q522 PolarHBondContact O-N 3.42Å; L520-Q522 VanDerWaalsContact C-N 3.3Å; L520-Q522 PolarHBondContact O-N 3Å; Q522-Q525 PolarHBondContact O-N 3.2Å; Q522-E526 WeakPolarHBondContact O-CG 3.39Å; Q522-E526 PolarHBondContact O-N 3.46Å
523T87.3Confident84.6Confident51 Ų51114.7 Ų114.731%0.31353%0.533SS..Hα-helixtrans-64-41.5176.6-54.50000112.2H519 L520 E526 I527H519-T523 PolarHBondContact O-N 3.47Å; H519-T523 PolarHBondContact O-OG1 3.18Å; H519-T523 VanDerWaalsContact O-OG1 3.09Å; L520-T523 PolarHBondContact O-N 3.28Å; T523-E526 PolarHBondContact O-N 2.95Å; T523-I527 HydrophobicContact CG2-CD1 4.22Å; T523-I527 WeakPolarHBondContact O-CG1 3.4Å; T523-I527 PolarHBondContact O-N 3.08Å
524L87.6Confident83.3Confident91 Ų91116.5 Ų116.548%0.47655%0.546SS..Hα-helixtrans-62.5-42.9176.3-70.4171.7000111.3L520 I521 E526 I527 D528L520-L524 HydrophobicContact CG-CD1 4.35Å; L520-L524 WeakPolarHBondContact O-CG 3.4Å; L520-L524 PolarHBondContact O-N 2.86Å; I521-L524 PolarHBondContact O-N 2.98Å; L524-E526 VanDerWaalsContact C-N 3.29Å; L524-E526 PolarHBondContact O-N 2.81Å; L524-I527 PolarHBondContact O-N 2.87Å; L524-D528 PolarHBondContact O-N 3.46Å
525Q87.3Confident81.8Confident108 Ų108114.7 Ų114.751%0.50554%0.543SS..Hα-helixtrans-62.8-31.7174.6-72.6178-10.800113.4I521 Q522 K529I521-Q525 WeakPolarHBondContact O-CG 3.42Å; I521-Q525 PolarHBondContact O-N 2.82Å; I521-Q525 VanDerWaalsContact O-N 3.08Å; Q522-Q525 PolarHBondContact O-N 3.2Å; Q525-K529 VanDerWaalsContact O-CG 3.26Å; Q525-K529 WeakPolarHBondContact O-CG 3.27Å; Q525-K529 PolarHBondContact O-N 2.89Å
526E86.2Confident79.9Confident90 Ų90115.9 Ų115.942%0.42155%0.551SS.*Hα-helixtrans-73.6-34175-74.9177.3-164.500112.9Q522 T523 L524 K530Q522-E526 WeakPolarHBondContact O-CG 3.39Å; Q522-E526 PolarHBondContact O-N 3.46Å; T523-E526 PolarHBondContact O-N 2.95Å; L524-E526 VanDerWaalsContact C-N 3.29Å; L524-E526 PolarHBondContact O-N 2.81Å; E526-K530 WeakPolarHBondContact O-CG 3.39Å; E526-K530 PolarHBondContact O-N 2.65Å; E526-K530 VanDerWaalsContact O-N 3.14Å
527I83.9Confident78.2Confident90 Ų90118.5 Ų118.546%0.46256%0.561SS.*Hα-helixtrans-66.9-47.9175.3-68.3166.9000110T523 L524 K529 K530 E531T523-I527 HydrophobicContact CG2-CD1 4.22Å; T523-I527 WeakPolarHBondContact O-CG1 3.4Å; T523-I527 PolarHBondContact O-N 3.08Å; L524-I527 PolarHBondContact O-N 2.87Å; I527-K529 VanDerWaalsContact C-N 3.29Å; I527-K529 PolarHBondContact O-N 2.97Å; I527-K530 PolarHBondContact O-N 3.45Å; I527-E531 PolarHBondContact O-N 2.96Å
528D82.1Confident76.3Confident94 Ų94120.6 Ų120.650%0.50358%0.578SS.*Hα-helixtrans-59.3-40.7178.5-70.9-16.1000111.5L524 K530 E531 I532L524-D528 PolarHBondContact O-N 3.46Å; D528-K530 PolarHBondContact O-N 3.39Å; D528-E531 PolarHBondContact O-N 3.04Å; D528-I532 WeakPolarHBondContact O-CD1 3.32Å; D528-I532 VanDerWaalsContact O-CG1 3.26Å; D528-I532 WeakPolarHBondContact O-CG1 3.5Å; D528-I532 PolarHBondContact O-N 3Å
529K83.3Confident74.2Confident134 Ų134120.7 Ų120.758%0.58359%0.586SS**Hα-helixtrans-63-38.6174.9-74.9173.1-175.8177.80112.8Q525 I527 N533Q525-K529 VanDerWaalsContact O-CG 3.26Å; Q525-K529 WeakPolarHBondContact O-CG 3.27Å; Q525-K529 PolarHBondContact O-N 2.89Å; I527-K529 VanDerWaalsContact C-N 3.29Å; I527-K529 PolarHBondContact O-N 2.97Å; K529-N533 PolarHBondContact O-N 2.99Å
530K81.8Confident71.9Confident143 Ų143120.6 Ų120.662%0.62260%0.596SS**Hα-helixtrans-71.9-35.4177.6-74.9176.6-178.7175.30111.9E526 I527 D528 N533 N534E526-K530 WeakPolarHBondContact O-CG 3.39Å; E526-K530 PolarHBondContact O-N 2.65Å; E526-K530 VanDerWaalsContact O-N 3.14Å; I527-K530 PolarHBondContact O-N 3.45Å; D528-K530 PolarHBondContact O-N 3.39Å; K530-N533 PolarHBondContact O-N 3.28Å; K530-N534 PolarHBondContact O-N 3.27Å; K530-N534 VanDerWaalsContact O-N 3.14Å
531E72.9Confident69.8Low98 Ų98124.3 Ų124.346%0.45861%0.614SS.*Hα-helixtrans-70.1-37177.8-155.2-174.7147.300111.9I527 D528 N533 N534 K535I527-E531 PolarHBondContact O-N 2.96Å; D528-E531 PolarHBondContact O-N 3.04Å; E531-N533 VanDerWaalsContact C-N 3.34Å; E531-N533 PolarHBondContact O-N 3.16Å; E531-N534 PolarHBondContact O-N 3.24Å; E531-K535 WeakPolarHBondContact O-CG 3.47Å; E531-K535 PolarHBondContact O-N 2.86Å; E531-K535 WeakPolarHBondContact OE1-CE 3.34Å; E531-K535 IonicContact OE1-NZ 2.75Å; E531-K535 PolarHBondContact OE1-NZ 3.38Å
532I72.6Confident67.6Low124 Ų124124.3 Ų124.364%0.63662%0.623SS**Hα-helixtrans-63.7-39.6173.4-66.7164.6000111.1D528D528-I532 WeakPolarHBondContact O-CD1 3.32Å; D528-I532 VanDerWaalsContact O-CG1 3.26Å; D528-I532 WeakPolarHBondContact O-CG1 3.5Å; D528-I532 PolarHBondContact O-N 3Å
533N68.6Low65.4Low124 Ų124124.7 Ų124.766%0.66364%0.636SS**Hα-helixtrans-74-24.3179.8-72.5-13.4000113.9K529 K530 E531K529-N533 PolarHBondContact O-N 2.99Å; K530-N533 PolarHBondContact O-N 3.28Å; E531-N533 VanDerWaalsContact C-N 3.34Å; E531-N533 PolarHBondContact O-N 3.16Å
534N58.6Low63.1Low140 Ų140131.9 Ų131.975%0.74967%0.666SS**Hα-helixtrans-87.5-11.5179.4-940.4000114.5K530 E531 H536K530-N534 PolarHBondContact O-N 3.27Å; K530-N534 VanDerWaalsContact O-N 3.14Å; E531-N534 PolarHBondContact O-N 3.24Å; N534-H536 PolarHBondContact O-N 3.23Å
535K55.6Low60.8Low147 Ų147132.1 Ų132.164%0.63968%0.675SS**THydrogen-bonded Turntrans-81.711.7179.4-76.2178.9-178.3166.80114.6E531E531-K535 WeakPolarHBondContact O-CG 3.47Å; E531-K535 PolarHBondContact O-N 2.86Å; E531-K535 WeakPolarHBondContact OE1-CE 3.34Å; E531-K535 IonicContact OE1-NZ 2.75Å; E531-K535 PolarHBondContact OE1-NZ 3.38Å
536H49.9Very low58.6Low172 Ų172133.9 Ų133.980%0.79669%0.688SS**THydrogen-bonded Turntrans-100.89.9-177.2-132.9-41000115.7N534N534-H536 PolarHBondContact O-N 3.23Å
537Y48.8Very low56.4Low218 Ų218137.3 Ų137.386%0.85571%0.709SS**  trans-124.774.4174.8-84.5-84.8000111.7
538D48.9Very low54.4Low158 Ų158140.6 Ų140.685%0.84573%0.726SS**  trans-13597.4160.2-85.2-38.8000108.5
539N47.2Very low52.5Low156 Ų156144.1 Ų144.183%0.83474%0.74SS**  trans-95127167-113.2-8000108.1
540P40.9Very low50.6Low117 Ų117144.8 Ų144.876%0.7675%0.75SS**  trans-91.6114.217633.4-26.7000109.6
541I45Very low48.8Very low161 Ų161143.7 Ų143.783%0.82676%0.757SS**  trans-112.695.9165.4-60.6178.8000108.5
542S41.2Very low47.6Very low99 Ų99146.9 Ų146.969%0.69278%0.775SS**  trans-80.5152.5160.1169.50000109.6
543S43.3Very low46.2Very low104 Ų104147.6 Ų147.673%0.72778%0.78SS**  trans8896.8163-48.30000117.4
544Q40Very low44.7Very low201 Ų201149 Ų14994%0.93979%0.788SS**  -174.4106.8118.9-100.8177.46.100111.3
545S38.3Very low44Very low96 Ų96147.3 Ų147.367%0.67179%0.787SS**  trans-81.6149.1160.351.20000110.6
546N41Very low43.2Very low145 Ų145146.2 Ų146.278%0.77579%0.792SS**  trans86.9103.1163.2-51.3-28.4000117
547L41.5Very low42.9Very low163 Ų163148.2 Ų148.285%0.85380%0.795SS**  trans-176.1101.2133.7-114.687.6000106.6
548L40.8Very low42.5Very low158 Ų158146 Ų14683%0.82779%0.792SS**  76.8119.496.1-98.4147.2000115.5
549H41.5Very low42.2Very low169 Ų169145.6 Ų145.678%0.78279%0.789SS**  trans-23.4132.3163.7-87.2-63.7000117.2
550N43.8Very low42.1Very low148 Ų148144.5 Ų144.579%0.79179%0.788SS**  -169.3135.7126.3-95-23.9000110.8
551P43.4Very low42.6Very low119 Ų119141.8 Ų141.877%0.77378%0.782SS**PPolyproline II helixtrans-89.4121.4170.533.3-25.5000109.6
552I47.8Very low43.7Very low165 Ų165140.1 Ų140.185%0.84677%0.769SS**PPolyproline II helixtrans-98.1127.6173.6-66.6177.1000109.6
553N43.2Very low45.6Very low139 Ų139139.4 Ų139.474%0.74376%0.76SS**PPolyproline II helixtrans-66140.2176.5-77.1-37.3000113.6
554N37.8Very low47.1Very low155 Ų155144.2 Ų144.283%0.82976%0.762SS**  trans34.3110.9140.4-65.1-14.9000120.1
555S44.8Very low48.9Very low103 Ų103140.9 Ų140.972%0.7275%0.747SS**  trans-142.9102.5135.670.90000111.3Y557S555-Y557 PolarHBondContact O-N 3.33Å
556V38.8Very low50.6Low124 Ų124140.7 Ų140.775%0.75274%0.735SS**  trans18.8100.1138.7-171.60000116.4
557Y43Very low52.4Low215 Ų215138.7 Ų138.784%0.84372%0.721SS**  trans-132.698.4146.3-97-84.5000108.1S555 N559S555-Y557 PolarHBondContact O-N 3.33Å; Y557-N559 VanDerWaalsContact C-N 3.33Å; Y557-N559 PolarHBondContact O-N 3.28Å; Y557-N559 VanDerWaalsContact O-N 3.08Å
558H41.2Very low54.3Low172 Ų172135.3 Ų135.380%0.79670%0.704SS**  trans-72.391.4163.7-88.6-72000108.4
559N42Very low56.1Low148 Ų148133.1 Ų133.179%0.79169%0.685SS**  trans-129.995.1156.9-117.3-8.7000106.6Y557 G561Y557-N559 VanDerWaalsContact C-N 3.33Å; Y557-N559 PolarHBondContact O-N 3.28Å; Y557-N559 VanDerWaalsContact O-N 3.08Å; N559-G561 PolarHBondContact O-N 3.42Å
560T45.1Very low58Low133 Ų133126.8 Ų126.882%0.81666%0.656SS**  trans-74.366.9175.752.50000109.5K562T560-K562 PolarHBondContact O-N 3.43Å
561G52Low59.6Low61 Ų61125.7 Ų125.763%0.62965%0.651SS**  trans-72.9109.7160.600000107N559 T563N559-G561 PolarHBondContact O-N 3.42Å; G561-T563 PolarHBondContact O-N 3.45Å; G561-T563 VanDerWaalsContact O-N 3.15Å
562K67.6Low61.4Low125 Ų125124.3 Ų124.354%0.54364%0.636SS.*  trans-53.3125170.6-67.1177.2-177.7175.80106.8T560 E566 E567T560-K562 PolarHBondContact O-N 3.43Å; K562-E566 HydrophobicContact CB-CB 4.37Å; K562-E567 HydrophobicContact CB-CG 3.71Å; K562-E567 HydrophobicContact CD-CG 4.08Å
563T80.8Confident62.8Low84 Ų84122.5 Ų122.552%0.51562%0.623SS.*  trans-61.3148.3169.958.10000107.6G561 E565 E566 E567G561-T563 PolarHBondContact O-N 3.45Å; G561-T563 VanDerWaalsContact O-N 3.15Å; T563-E565 CarbonylContact O-C 3.59Å; T563-E565 PolarHBondContact O-N 3.3Å; T563-E566 CarbonylContact O-C 3.5Å; T563-E566 WeakPolarHBondContact O-CA 3.35Å; T563-E566 WeakPolarHBondContact O-CB 3.45Å; T563-E566 PolarHBondContact O-N 3.31Å; T563-E566 WeakPolarHBondContact OG1-CB 3.25Å; T563-E566 PolarHBondContact OG1-N 2.9Å; T563-E567 PolarHBondContact O-N 2.97Å
564R75.7Confident64.5Low205 Ų205117.9 Ų117.977%0.77461%0.608SS**Hα-helixtrans-51.2-29.8172.1-178.9175.5175.1-153.80111.7L568R564-L568 HydrophobicContact CG-CD1 4.28Å; R564-L568 WeakPolarHBondContact O-CB 3.41Å; R564-L568 WeakPolarHBondContact O-CD1 3.48Å; R564-L568 WeakPolarHBondContact O-CG 3.32Å; R564-L568 PolarHBondContact O-N 3.31Å
565E76.3Confident66.4Low132 Ų132112.6 Ų112.662%0.61758%0.583SS**Hα-helixtrans-64.9-48.6170.9-173.3164.8-166.400112T563 E567 L568 W569T563-E565 CarbonylContact O-C 3.59Å; T563-E565 PolarHBondContact O-N 3.3Å; E565-E567 PolarHBondContact O-N 2.97Å; E565-L568 PolarHBondContact O-N 3.33Å; E565-W569 WeakPolarHBondContact O-CB 3.48Å; E565-W569 PolarHBondContact O-N 3.04Å
566E75.5Confident67.2Low91 Ų91114.8 Ų114.843%0.42559%0.585SS.*Hα-helixtrans-63.5-35.1175.7-161.8176.4-168.300113.3K562 T563 W569 N570K562-E566 HydrophobicContact CB-CB 4.37Å; T563-E566 CarbonylContact O-C 3.5Å; T563-E566 WeakPolarHBondContact O-CA 3.35Å; T563-E566 WeakPolarHBondContact O-CB 3.45Å; T563-E566 PolarHBondContact O-N 3.31Å; T563-E566 WeakPolarHBondContact OG1-CB 3.25Å; T563-E566 PolarHBondContact OG1-N 2.9Å; E566-W569 PolarHBondContact O-N 2.87Å; E566-N570 WeakPolarHBondContact O-CB 3.47Å; E566-N570 VanDerWaalsContact O-CG 3.24Å; E566-N570 PolarHBondContact O-N 3.11Å; E566-N570 PolarHBondContact O-ND2 3.07Å
567E78.2Confident68.5Low103 Ų103117 Ų11748%0.48159%0.585SS.*Hα-helixtrans-63.9-49.1170.3-69.3-174.4158.600111.6K562 T563 E565 W569 N570 D571K562-E567 HydrophobicContact CB-CG 3.71Å; K562-E567 HydrophobicContact CD-CG 4.08Å; T563-E567 PolarHBondContact O-N 2.97Å; E565-E567 PolarHBondContact O-N 2.97Å; E567-W569 PolarHBondContact O-N 3.47Å; E567-N570 PolarHBondContact O-N 3.01Å; E567-D571 WeakPolarHBondContact O-CB 3.23Å; E567-D571 PolarHBondContact O-N 3.03Å
568L81.7Confident69.1Low93 Ų93112.7 Ų112.749%0.48758%0.576SS.*Hα-helixtrans-61.2-34.3175.8-73.8169.2000112.2R564 E565 L572R564-L568 HydrophobicContact CG-CD1 4.28Å; R564-L568 WeakPolarHBondContact O-CB 3.41Å; R564-L568 WeakPolarHBondContact O-CD1 3.48Å; R564-L568 WeakPolarHBondContact O-CG 3.32Å; R564-L568 PolarHBondContact O-N 3.31Å; E565-L568 PolarHBondContact O-N 3.33Å; L568-L572 WeakPolarHBondContact O-CB 3.39Å; L568-L572 PolarHBondContact O-N 3.14Å
569W77.2Confident69.8Low112 Ų112113.7 Ų113.742%0.42458%0.578SS.*Hα-helixtrans-66.2-47.6173.7-90.3104.8000111.9M143 E565 E566 E567 D571 L572 F573M143-W569 HydrophobicContact CE-CH2 4.14Å; M143-W569 HydrophobicContact CE-CZ2 4.2Å; M143-W569 HydrophobicContact SD-CH2 3.75Å; M143-W569 HydrophobicContact SD-CZ2 4.3Å; E565-W569 WeakPolarHBondContact O-CB 3.48Å; E565-W569 PolarHBondContact O-N 3.04Å; E566-W569 PolarHBondContact O-N 2.87Å; E567-W569 PolarHBondContact O-N 3.47Å; W569-D571 VanDerWaalsContact C-N 3.32Å; W569-D571 PolarHBondContact O-N 3.32Å; W569-L572 PolarHBondContact O-N 2.93Å; W569-F573 HydrophobicContact CD2-CD2 4.24Å; W569-F573 HydrophobicContact CD2-CE2 4.24Å; W569-F573 AromaticContact CE3-CD2 3.22Å; W569-F573 HydrophobicContact CE3-CD2 3.22Å; W569-F573 AromaticContact CE3-CE2 3.37Å; W569-F573 HydrophobicContact CE3-CE2 3.37Å; W569-F573 HydrophobicContact CE3-CG 4.31Å; W569-F573 AromaticContact CH2-CE2 3.99Å; W569-F573 HydrophobicContact CH2-CE2 3.99Å; W569-F573 AromaticContact CZ3-CD2 3.43Å; W569-F573 HydrophobicContact CZ3-CD2 3.43Å; W569-F573 VanDerWaalsContact CZ3-CD2 3.43Å; W569-F573 AromaticContact CZ3-CE2 3.2Å; W569-F573 HydrophobicContact CZ3-CE2 3.2Å; W569-F573 HydrophobicContact CZ3-CG 4.37Å; W569-F573 HydrophobicContact CZ3-CZ 4.04Å; W569-F573 WeakPolarHBondContact O-CD2 3.3Å; W569-F573 PolarHBondContact O-N 3.33Å
570N82.1Confident70.5Confident35 Ų35112.2 Ų112.219%0.18757%0.574CS.*Hα-helixtrans-63.9-37.4176.9-70.6-41.9000111.6E566 E567 G574E566-N570 WeakPolarHBondContact O-CB 3.47Å; E566-N570 VanDerWaalsContact O-CG 3.24Å; E566-N570 PolarHBondContact O-N 3.11Å; E566-N570 PolarHBondContact O-ND2 3.07Å; E567-N570 PolarHBondContact O-N 3.01Å; N570-G574 CarbonylContact O-C 3.58Å; N570-G574 WeakPolarHBondContact O-CA 3.37Å; N570-G574 PolarHBondContact O-N 2.87Å
571D78.3Confident70.8Confident125 Ų125112.8 Ų112.867%0.66857%0.572SS**Hα-helixtrans-71.1-30.2175.5-81.90.9000113.6K289 E567 W569K289-D571 PolarHBondContact NZ-O 3.07Å; K289-D571 VanDerWaalsContact NZ-O 3.08Å; E567-D571 WeakPolarHBondContact O-CB 3.23Å; E567-D571 PolarHBondContact O-N 3.03Å; W569-D571 VanDerWaalsContact C-N 3.32Å; W569-D571 PolarHBondContact O-N 3.32Å
572L80.3Confident70.6Confident90 Ų90118.6 Ų118.647%0.47158%0.583SS.*Hα-helixtrans-79.5-36.9176.5-109.176.4000113.2K289 L568 W569K289-L572 VanDerWaalsContact CE-CG 3.42Å; L568-L572 WeakPolarHBondContact O-CB 3.39Å; L568-L572 PolarHBondContact O-N 3.14Å; W569-L572 PolarHBondContact O-N 2.93Å
573F77.6Confident69.6Low128 Ų128119.2 Ų119.256%0.56160%0.598SS**Hα-helixtrans-127.7-0.4-163.4-58.3-72000114.9W569W569-F573 HydrophobicContact CD2-CD2 4.24Å; W569-F573 HydrophobicContact CD2-CE2 4.24Å; W569-F573 AromaticContact CE3-CD2 3.22Å; W569-F573 HydrophobicContact CE3-CD2 3.22Å; W569-F573 AromaticContact CE3-CE2 3.37Å; W569-F573 HydrophobicContact CE3-CE2 3.37Å; W569-F573 HydrophobicContact CE3-CG 4.31Å; W569-F573 AromaticContact CH2-CE2 3.99Å; W569-F573 HydrophobicContact CH2-CE2 3.99Å; W569-F573 AromaticContact CZ3-CD2 3.43Å; W569-F573 HydrophobicContact CZ3-CD2 3.43Å; W569-F573 VanDerWaalsContact CZ3-CD2 3.43Å; W569-F573 AromaticContact CZ3-CE2 3.2Å; W569-F573 HydrophobicContact CZ3-CE2 3.2Å; W569-F573 HydrophobicContact CZ3-CG 4.37Å; W569-F573 HydrophobicContact CZ3-CZ 4.04Å; W569-F573 WeakPolarHBondContact O-CD2 3.3Å; W569-F573 PolarHBondContact O-N 3.33Å
574G78.6Confident67.7Low42 Ų42120.5 Ų120.543%0.43361%0.61SS.*  trans78.7148.2-171.400000111.6N570 I576N570-G574 CarbonylContact O-C 3.58Å; N570-G574 WeakPolarHBondContact O-CA 3.37Å; N570-G574 PolarHBondContact O-N 2.87Å; G574-I576 PolarHBondContact O-N 3.29Å
575S76.9Confident66Low44 Ų44119.5 Ų119.531%0.30861%0.614SS.*  trans-57.8122.1174.3174.50000110.2K577 D578S575-K577 PolarHBondContact O-N 2.97Å; S575-K577 PolarHBondContact OG-N 3.19Å; S575-D578 WeakPolarHBondContact CB-OD2 3.48Å; S575-D578 PolarHBondContact OG-OD2 3.45Å
576I63.1Low64.5Low148 Ų148119.4 Ų119.476%0.75962%0.622SS**THydrogen-bonded Turntrans-65.3-19.8176.9-66.5172.7000111.1G574G574-I576 PolarHBondContact O-N 3.29Å
577K65.1Low62.9Low172 Ų172122 Ų12275%0.74864%0.637SS**THydrogen-bonded Turntrans-85-11.3-173.9-71.4-173.8176.2179.60115S575 K579S575-K577 PolarHBondContact O-N 2.97Å; S575-K577 PolarHBondContact OG-N 3.19Å; K577-K579 PolarHBondContact O-N 2.93Å
578D55.8Low61.3Low123 Ų123125.3 Ų125.366%0.65865%0.653SS**THydrogen-bonded Turntrans-93.721.5-168.7-60.7-16.1000114.4S575S575-D578 WeakPolarHBondContact CB-OD2 3.48Å; S575-D578 PolarHBondContact OG-OD2 3.45Å
579K55.6Low59Low193 Ų193130 Ų13084%0.83967%0.672SS**THydrogen-bonded Turntrans-132.611.8-179.8-69.7-158.4176.3-161.40116.8K577K577-K579 PolarHBondContact O-N 2.93Å
580V56.8Low57.3Low117 Ų117130.7 Ų130.771%0.70969%0.691SS**SBendtrans-104.6-7.9-176.9-176.60000113.6
581N50.7Low55.6Low146 Ų146134.4 Ų134.478%0.78172%0.72SS**SBendtrans-116.316.4-170.2-64.2-0000115.7
582E48.3Very low53.7Low182 Ų182135.4 Ų135.485%0.8573%0.725SS**SBendtrans-112.416.8-172.5-120.5174.4-16500115.3
583T46.8Very low51.9Low139 Ų139138.6 Ų138.685%0.85374%0.742SS**  trans-139.869.8172.756.50000111.3
584S40.4Very low50.1Low110 Ų110140.8 Ų140.877%0.76975%0.754SS**  trans-144.472.8167.363.40000109.4
585E41.5Very low48.3Very low185 Ų185145.4 Ų145.486%0.86477%0.768SS**  trans-150.3138.1166.3-125.1174-170.800109.5
586V43.4Very low46.6Very low130 Ų130150.5 Ų150.579%0.78879%0.791SS**  trans88.3125.1169.9-150.70000117.2
587I42.9Very low45.6Very low145 Ų145151.1 Ų151.174%0.74480%0.795SS**  trans109.583.9158.1-45.4-179.7000117.3
588H43.8Very low44.4Very low173 Ų173154.1 Ų154.180%0.80180%0.801SS**  55.4111.9129.1-72.5-74.4000122.6
589Q33.4Very low43.5Very low191 Ų191155 Ų15589%0.89381%0.806SS**  trans-61.4146.6151-76.3170.1-42.500111.9
590P42.7Very low42.7Very low127 Ų127152.2 Ų152.283%0.82580%0.8SS**  -131.5168.6124.232.8-18.8000113.6
591S46Very low41.9Very low113 Ų113156.9 Ų156.979%0.7981%0.807SS**  trans-63.8154.5-157.252.50000118.2
592N38.4Very low41.3Very low146 Ų146157.2 Ų157.278%0.78181%0.809SS**  trans-47.7133.4157.7-57.9-35.4000111.6
593D42Very low40.9Very low156 Ų156154.8 Ų154.883%0.83481%0.806SS**  trans-174.6149.2131.3-86.3-24.6000109.8
594E40.9Very low40.6Very low174 Ų174154.8 Ų154.881%0.81381%0.806SS**  trans79.999.9170.1-59.6-169.8145.300118.4
595I40.7Very low40.6Very low139 Ų139156.6 Ų156.671%0.71381%0.807SS**  89.3117.165.1-72170.8000112.9
596L40.5Very low40.4Very low151 Ų151156.1 Ų156.179%0.79181%0.805SS**  trans86135.7149.4-80.9161.4000122.7
597L42.5Very low40.3Very low162 Ų162160.4 Ų160.485%0.84881%0.808SS**  trans92.186.9165-57.9152.8000115.1
598R38.7Very low40.1Very low234 Ų234158.3 Ų158.388%0.88380%0.802SS**  64.299.358.3-153.2-179.1-161.3-158.64.8115.3
599N36.8Very low40.2Very low141 Ų141158.6 Ų158.675%0.75480%0.803SS**  trans17.6124.9144.7-61.2-8.8000120.7
600N39.9Very low40.7Very low135 Ų135156.3 Ų156.372%0.72280%0.797SS**  trans177.3131.6134.2-84.8-25.7000105.4
601Y39.1Very low41.1Very low215 Ų215155.8 Ų155.884%0.84380%0.797SS**  -167.1133.168.6-84.7-86.7000110.8
602N38.3Very low41Very low154 Ų154156.8 Ų156.882%0.82479%0.793SS**  trans-101.4165.3148.1-107.5-18.2000107.3
603T40.4Very low41.5Very low131 Ų131161.2 Ų161.280%0.80480%0.801SS**  trans95.4111.7172.9-25.10000114.9
604V41.3Very low41.6Very low138 Ų138163 Ų16384%0.83680%0.801SS**  -164.3120.1117.6172.50000108.3
605N38.9Very low41.7Very low149 Ų149161 Ų16180%0.79780%0.801SS**  trans-102.9160.7164.5-121.1-0.4000107.8
606E37.8Very low41.7Very low174 Ų174157.3 Ų157.381%0.81380%0.797SS**  trans76.4121.5167.8-66.5-177.714100119
607Y40.6Very low41.8Very low221 Ų221156.9 Ų156.987%0.86779%0.794SS**  -166.1103.6125.8-107.8-82.1000110.7
608T39.8Very low42Very low101 Ų101156.5 Ų156.562%0.6279%0.793SS**  trans28.3137139.255.70000123.6
609H45.7Very low42.1Very low178 Ų178154.4 Ų154.482%0.82479%0.793SS**  17194.3119.7-85.6-61.1000109.1
610N43.2Very low42.7Very low143 Ų143157.3 Ų157.377%0.76580%0.802SS**  55101.490.8-156.317.4000116.5
611S51.9Low42.8Very low116 Ų116157.8 Ų157.881%0.81181%0.805SS**  trans-165.6124.4131.451.80000111.7
612N44Very low43Very low134 Ų134154.6 Ų154.672%0.71780%0.802SS**  trans-83.5141.5174-77.3-48.8000110.7
613Y47.7Very low43.1Very low239 Ų239153.9 Ų153.994%0.93780%0.799SS**  trans-142.6125.5138.3-78.6-74000110.1
614K44.8Very low43.2Very low193 Ų193153.7 Ų153.784%0.83979%0.793SS**  trans-110.1168.7-175.8-174.6174.6-178.3178.50108
615T44.1Very low43.2Very low134 Ų134154 Ų15482%0.82279%0.79SS**  trans101.3124.4165.9-29.80000113.4
616G40.2Very low43.5Very low61 Ų61152.5 Ų152.563%0.62978%0.782SS**  cis171.1159.5-1.200000111.4
617I41.9Very low43.9Very low141 Ų141152 Ų15272%0.72378%0.777SS**  trans74.996.6135.9-53.6168.2000117.7
618N47.6Very low44Very low155 Ų155148.1 Ų148.183%0.82977%0.771SS**  164.1129.6102.7-96.1-21.3000113.2
619Q40.8Very low44.1Very low189 Ų189151.3 Ų151.388%0.88378%0.779SS**  trans-88142.2160.5-75.2174.2-24.100108.6
620E47.9Very low43.7Very low202 Ų202149.1 Ų149.194%0.94477%0.772SS**  trans-154.6137.7147.8-119.3172-164.900110.6
621N43.4Very low43.5Very low146 Ų146152.2 Ų152.278%0.78178%0.779SS**  trans-88.2163.5-177.7-78.8-35.8000111.6
622N42.1Very low42.9Very low147 Ų147152.4 Ų152.479%0.78678%0.776SS**  trans102.3116.3151.2-61.3-28.4000119.1
623N41.6Very low43Very low139 Ų139151.8 Ų151.874%0.74378%0.782SS**  trans64.5134.4133.9-83.714.4000123.3
624D42.2Very low43.1Very low128 Ų128149.5 Ų149.568%0.68478%0.777SS**  trans82.3110.9145.2-61.7-27000120.7
625N41.7Very low43.4Very low144 Ų144145.2 Ų145.277%0.7777%0.771SS**  trans72.4137.4135.6-72.4-25000121.3
626D44.4Very low44.1Very low118 Ų118143.8 Ų143.863%0.63176%0.764SS**  trans85.5110149.8-79.39.6000120.6
627K45.5Very low45.7Very low162 Ų162143.9 Ų143.970%0.70476%0.755SS**  trans92.8116.8131.1-68.2169.8-179.7126.10119.7
628N42.8Very low46.9Very low140 Ų140145.9 Ų145.975%0.74975%0.754SS**  trans73.7103.1135.3-59.8-16.2000119.8
629H42.8Very low48.2Very low169 Ų169144.2 Ų144.278%0.78274%0.744SS**  171.8107.7113.9-110.8-98.6000108.3
630L36.3Very low49.9Very low132 Ų132138.6 Ų138.669%0.69172%0.723SS**  90.787.988.7-167.580.5000112.5
631F41Very low51.2Low208 Ų208133.9 Ų133.991%0.91270%0.7SS**  trans-165.786.7143.4-103.7-74.3000107.8
632T38.7Very low52.8Low119 Ų119130.4 Ų130.473%0.7368%0.679SS**  trans-112.599.6170.1590000108.8K634T632-K634 PolarHBondContact O-N 3.47Å
633S45.6Very low54.5Low121 Ų121130 Ų13085%0.84667%0.67SS**  trans-67.995.2161.853.20000108.1S635S633-S635 PolarHBondContact O-N 2.89Å
634K49.1Very low56.3Low191 Ų191126.6 Ų126.683%0.8365%0.654SS**  trans-67.7112171.9-80.1-179.9176.1176.20108.7T632T632-K634 PolarHBondContact O-N 3.47Å
635S51.3Low57.8Low104 Ų104123 Ų12373%0.72764%0.636SS**PPolyproline II helixtrans-57.4141.4162.8370000109.6S633 S637S633-S635 PolarHBondContact O-N 2.89Å; S635-S637 PolarHBondContact O-N 3.44Å
636P58.6Low59.2Low103 Ų103120.8 Ų120.867%0.66963%0.625SS**PPolyproline II helixtrans-57.4130.3176.4-18.529.4000109.4
637S74.2Confident60.6Low64 Ų64121.1 Ų121.145%0.44862%0.622SS.*PPolyproline II helixtrans-60.7149.1174.273.20000109.8S635 L639 T640 F641S635-S637 PolarHBondContact O-N 3.44Å; S637-L639 PolarHBondContact O-N 3.45Å; S637-T640 WeakPolarHBondContact O-CA 3.32Å; S637-T640 VanDerWaalsContact O-CB 3.31Å; S637-T640 WeakPolarHBondContact O-CB 3.28Å; S637-T640 PolarHBondContact O-N 3.45Å; S637-T640 PolarHBondContact OG-N 2.96Å; S637-T640 PolarHBondContact OG-OG1 2.9Å; S637-F641 PolarHBondContact O-N 2.98Å; S637-F641 VanDerWaalsContact O-N 3.13Å
638W67.8Low61.8Low182 Ų182117.6 Ų117.669%0.68961%0.611SS**Hα-helixtrans-49.4-34.9174.6-174.9-120.2000112.8T640 F641 H642W638-T640 PolarHBondContact O-N 2.89Å; W638-F641 HydrophobicContact CE3-CD1 4.1Å; W638-F641 HydrophobicContact CH2-CD1 4.36Å; W638-F641 HydrophobicContact CH2-CE1 4.41Å; W638-F641 AromaticContact CZ3-CD1 3.79Å; W638-F641 HydrophobicContact CZ3-CD1 3.79Å; W638-F641 HydrophobicContact CZ3-CE1 4.08Å; W638-F641 PolarHBondContact O-N 3.49Å; W638-H642 AromaticContact CD1-CD2 3.93Å; W638-H642 AromaticContact CD2-CD2 3.85Å; W638-H642 AromaticContact CD2-NE2 3.97Å; W638-H642 AromaticContact CE2-CD2 3.43Å; W638-H642 VanDerWaalsContact CE2-CD2 3.43Å; W638-H642 AromaticContact CE2-NE2 3.12Å; W638-H642 AromaticContact CH2-NE2 3.73Å; W638-H642 AromaticContact CZ2-CD2 3.78Å; W638-H642 AromaticContact CZ2-NE2 3Å; W638-H642 WeakPolarHBondContact CZ2-NE2 3.48Å; W638-H642 AromaticContact NE1-CD2 3.46Å; W638-H642 PolarHBondContact NE1-CD2 2.92Å; W638-H642 AromaticContact NE1-NE2 3.36Å; W638-H642 PolarHBondContact NE1-NE2 3.1Å; W638-H642 PolarHBondContact O-CD2 2.97Å; W638-H642 PolarHBondContact O-N 3.33Å
639L74.1Confident62.9Low120 Ų120113.9 Ų113.963%0.62860%0.596SS**Hα-helixtrans-66.1-35.8175.8-159.673.8000113S637 K643S637-L639 PolarHBondContact O-N 3.45Å; L639-K643 WeakPolarHBondContact O-CG 3.46Å; L639-K643 PolarHBondContact O-N 3.3Å; L639-K643 VanDerWaalsContact O-N 3.12Å
640T77.8Confident64.1Low72 Ų72111 Ų11144%0.44259%0.586SS.*Hα-helixtrans-69.2-43.7176.1-50.40000110.2S637 W638 H642 K643 T644S637-T640 WeakPolarHBondContact O-CA 3.32Å; S637-T640 VanDerWaalsContact O-CB 3.31Å; S637-T640 WeakPolarHBondContact O-CB 3.28Å; S637-T640 PolarHBondContact O-N 3.45Å; S637-T640 PolarHBondContact OG-N 2.96Å; S637-T640 PolarHBondContact OG-OG1 2.9Å; W638-T640 PolarHBondContact O-N 2.89Å; T640-H642 PolarHBondContact O-N 3.28Å; T640-K643 PolarHBondContact O-N 3.38Å; T640-T644 PolarHBondContact O-N 2.91Å; T640-T644 PolarHBondContact O-OG1 3.29Å; T640-T644 VanDerWaalsContact O-OG1 3.06Å
641F74.1Confident65.5Low102 Ų102110.7 Ų110.745%0.44758%0.581SS.*Hα-helixtrans-57.8-47.8175.5177.7-100.3000112S637 W638 K643 T644 V645S637-F641 PolarHBondContact O-N 2.98Å; S637-F641 VanDerWaalsContact O-N 3.13Å; W638-F641 HydrophobicContact CE3-CD1 4.1Å; W638-F641 HydrophobicContact CH2-CD1 4.36Å; W638-F641 HydrophobicContact CH2-CE1 4.41Å; W638-F641 AromaticContact CZ3-CD1 3.79Å; W638-F641 HydrophobicContact CZ3-CD1 3.79Å; W638-F641 HydrophobicContact CZ3-CE1 4.08Å; W638-F641 PolarHBondContact O-N 3.49Å; F641-K643 PolarHBondContact O-N 3.32Å; F641-T644 PolarHBondContact O-N 2.99Å; F641-V645 HydrophobicContact CD1-CG2 4.25Å; F641-V645 HydrophobicContact CD2-CG2 4.46Å; F641-V645 HydrophobicContact CE1-CG2 3.86Å; F641-V645 HydrophobicContact CE2-CG2 4.09Å; F641-V645 HydrophobicContact CZ-CG2 3.77Å; F641-V645 WeakPolarHBondContact O-CG2 3.38Å; F641-V645 PolarHBondContact O-N 3.31Å
642H76.7Confident66.2Low73 Ų73108.3 Ų108.334%0.33857%0.571SS.*Hα-helixtrans-66.5-35.4178.3-87.1-71.8000113.8W638 T640 T644 V645 N646W638-H642 AromaticContact CD1-CD2 3.93Å; W638-H642 AromaticContact CD2-CD2 3.85Å; W638-H642 AromaticContact CD2-NE2 3.97Å; W638-H642 AromaticContact CE2-CD2 3.43Å; W638-H642 VanDerWaalsContact CE2-CD2 3.43Å; W638-H642 AromaticContact CE2-NE2 3.12Å; W638-H642 AromaticContact CH2-NE2 3.73Å; W638-H642 AromaticContact CZ2-CD2 3.78Å; W638-H642 AromaticContact CZ2-NE2 3Å; W638-H642 WeakPolarHBondContact CZ2-NE2 3.48Å; W638-H642 AromaticContact NE1-CD2 3.46Å; W638-H642 PolarHBondContact NE1-CD2 2.92Å; W638-H642 AromaticContact NE1-NE2 3.36Å; W638-H642 PolarHBondContact NE1-NE2 3.1Å; W638-H642 PolarHBondContact O-CD2 2.97Å; W638-H642 PolarHBondContact O-N 3.33Å; T640-H642 PolarHBondContact O-N 3.28Å; H642-T644 VanDerWaalsContact C-N 3.35Å; H642-V645 PolarHBondContact O-N 3.12Å; H642-N646 WeakPolarHBondContact O-CB 3.49Å; H642-N646 PolarHBondContact O-N 3.36Å
643K79.3Confident66.9Low140 Ų140108.7 Ų108.761%0.60957%0.568SS**Hα-helixtrans-62.3-43.3172.8-80.2-176177.5-1760111.5L639 T640 F641 N646 Q647L639-K643 WeakPolarHBondContact O-CG 3.46Å; L639-K643 PolarHBondContact O-N 3.3Å; L639-K643 VanDerWaalsContact O-N 3.12Å; T640-K643 PolarHBondContact O-N 3.38Å; F641-K643 PolarHBondContact O-N 3.32Å; K643-N646 PolarHBondContact O-N 3.13Å; K643-Q647 WeakPolarHBondContact O-CB 3.4Å; K643-Q647 PolarHBondContact O-N 3.49Å
644T78.4Confident67Low66 Ų66110.9 Ų110.941%0.40557%0.567SS.*Hα-helixtrans-66.5-41.4176.9-51.70000111.8T640 F641 H642 Q647 L648T640-T644 PolarHBondContact O-N 2.91Å; T640-T644 PolarHBondContact O-OG1 3.29Å; T640-T644 VanDerWaalsContact O-OG1 3.06Å; F641-T644 PolarHBondContact O-N 2.99Å; H642-T644 VanDerWaalsContact C-N 3.35Å; T644-Q647 PolarHBondContact O-N 3.2Å; T644-L648 HydrophobicContact CG2-CD1 4.1Å; T644-L648 HydrophobicContact CG2-CG 4.49Å; T644-L648 WeakPolarHBondContact O-CB 3.23Å; T644-L648 VanDerWaalsContact O-CG 3.28Å; T644-L648 WeakPolarHBondContact O-CG 3.45Å; T644-L648 PolarHBondContact O-N 2.94Å
645V72.9Confident66.9Low52 Ų52106.6 Ų106.632%0.31556%0.557SS.*Hα-helixtrans-65.1-40.2176.3172.20000111.7F641 H642 L648 S649F641-V645 HydrophobicContact CD1-CG2 4.25Å; F641-V645 HydrophobicContact CD2-CG2 4.46Å; F641-V645 HydrophobicContact CE1-CG2 3.86Å; F641-V645 HydrophobicContact CE2-CG2 4.09Å; F641-V645 HydrophobicContact CZ-CG2 3.77Å; F641-V645 WeakPolarHBondContact O-CG2 3.38Å; F641-V645 PolarHBondContact O-N 3.31Å; H642-V645 PolarHBondContact O-N 3.12Å; V645-L648 PolarHBondContact O-N 3.35Å; V645-S649 WeakPolarHBondContact O-CB 3.49Å; V645-S649 PolarHBondContact O-N 3.13Å
646N72.6Confident66.7Low98 Ų98107.8 Ų107.852%0.52456%0.556SS.*Hα-helixtrans-69.9-36.5176.2-76.6-9.5000112.5H642 K643 S649 N650H642-N646 WeakPolarHBondContact O-CB 3.49Å; H642-N646 PolarHBondContact O-N 3.36Å; K643-N646 PolarHBondContact O-N 3.13Å; N646-S649 PolarHBondContact O-N 2.94Å; N646-N650 WeakPolarHBondContact O-CB 3.12Å; N646-N650 VanDerWaalsContact O-CG 3.22Å; N646-N650 PolarHBondContact O-N 2.9Å; N646-N650 PolarHBondContact O-ND2 3.4Å
647Q73.7Confident65.8Low125 Ų125109.9 Ų109.958%0.58456%0.561SS**Hα-helixtrans-62-47.9171.2-89.4175.1-24.600111.2K643 T644 S649 N650 E651K643-Q647 WeakPolarHBondContact O-CB 3.4Å; K643-Q647 PolarHBondContact O-N 3.49Å; T644-Q647 PolarHBondContact O-N 3.2Å; Q647-S649 VanDerWaalsContact C-N 3.34Å; Q647-S649 PolarHBondContact O-N 2.78Å; Q647-N650 PolarHBondContact O-N 2.93Å; Q647-E651 WeakPolarHBondContact O-CG 3.38Å; Q647-E651 PolarHBondContact O-N 3.02Å
648L70.6Confident64.3Low89 Ų89116.1 Ų116.147%0.46658%0.575SS.*Hα-helixtrans-65.2-35.1178.1-70.4172000112.7T644 V645 N650 E651 F652T644-L648 HydrophobicContact CG2-CD1 4.1Å; T644-L648 HydrophobicContact CG2-CG 4.49Å; T644-L648 WeakPolarHBondContact O-CB 3.23Å; T644-L648 VanDerWaalsContact O-CG 3.28Å; T644-L648 WeakPolarHBondContact O-CG 3.45Å; T644-L648 PolarHBondContact O-N 2.94Å; V645-L648 PolarHBondContact O-N 3.35Å; L648-N650 VanDerWaalsContact C-N 3.34Å; L648-E651 PolarHBondContact O-N 3.33Å; L648-F652 WeakPolarHBondContact O-CB 3.33Å; L648-F652 PolarHBondContact O-N 3.2Å
649S65.8Low63.1Low61 Ų61114.4 Ų114.443%0.42758%0.579SS.*Hα-helixtrans-71-30.5176.1-164.30000112.5V645 N646 Q647 N653V645-S649 WeakPolarHBondContact O-CB 3.49Å; V645-S649 PolarHBondContact O-N 3.13Å; N646-S649 PolarHBondContact O-N 2.94Å; Q647-S649 VanDerWaalsContact C-N 3.34Å; Q647-S649 PolarHBondContact O-N 2.78Å; S649-N653 PolarHBondContact O-N 2.94Å; S649-N653 PolarHBondContact O-ND2 3.04Å
650N67.2Low61.5Low109 Ų109113.1 Ų113.158%0.58358%0.58SS**Hα-helixtrans-75.7-34.8173.2-71.5-16.4000111.6N646 Q647 L648N646-N650 WeakPolarHBondContact O-CB 3.12Å; N646-N650 VanDerWaalsContact O-CG 3.22Å; N646-N650 PolarHBondContact O-N 2.9Å; N646-N650 PolarHBondContact O-ND2 3.4Å; Q647-N650 PolarHBondContact O-N 2.93Å; L648-N650 VanDerWaalsContact C-N 3.34Å
651E65.9Low59.9Low126 Ų126115.8 Ų115.859%0.58959%0.591SS**Hα-helixtrans-70.8-39.3174.3-75177.1179.300112.3Q647 L648 N653 M654Q647-E651 WeakPolarHBondContact O-CG 3.38Å; Q647-E651 PolarHBondContact O-N 3.02Å; L648-E651 PolarHBondContact O-N 3.33Å; E651-N653 VanDerWaalsContact C-N 3.33Å; E651-N653 PolarHBondContact O-N 3.27Å; E651-M654 PolarHBondContact O-N 3.21Å
652F55.5Low58.5Low158 Ų158116 Ų11669%0.69360%0.597SS**Hα-helixtrans-68.5-29176.6-109.9-91.2000113.5L648 M654 T655L648-F652 WeakPolarHBondContact O-CB 3.33Å; L648-F652 PolarHBondContact O-N 3.2Å; F652-M654 PolarHBondContact O-N 2.83Å; F652-T655 PolarHBondContact O-OG1 2.93Å
653N53.2Low56.9Low126 Ų126119.2 Ų119.267%0.67462%0.616SS**THydrogen-bonded Turntrans-74.3-7.8175.8-81.7-23.2000113.7S649 E651S649-N653 PolarHBondContact O-N 2.94Å; S649-N653 PolarHBondContact O-ND2 3.04Å; E651-N653 VanDerWaalsContact C-N 3.33Å; E651-N653 PolarHBondContact O-N 3.27Å
654M49.1Very low55.2Low168 Ų168118.3 Ų118.383%0.82862%0.617SS**THydrogen-bonded Turntrans-94.1-6177.6-72.2-74.2178.500113.6E651 F652E651-M654 PolarHBondContact O-N 3.21Å; F652-M654 PolarHBondContact O-N 2.83Å
655T46.4Very low53.6Low101 Ų101121.7 Ų121.762%0.6263%0.628SS**  trans-110.84.7-173.138.90000116.1F652 N657F652-T655 PolarHBondContact O-OG1 2.93Å; T655-N657 PolarHBondContact O-N 3.31Å; T655-N657 VanDerWaalsContact O-N 3.12Å
656D46.3Very low52.2Low129 Ų129126.3 Ų126.369%0.6965%0.646SS**  trans-82.494.5172-103.4-5000111.2R658D656-R658 PolarHBondContact O-N 3.32Å
657N40.9Very low50.7Low146 Ų146131.5 Ų131.578%0.78166%0.658SS**  trans-64.272.7176.1-138.5-10.1000110.9T655 N659T655-N657 PolarHBondContact O-N 3.31Å; T655-N657 VanDerWaalsContact O-N 3.12Å; N657-N659 VanDerWaalsContact C-N 3.33Å; N657-N659 PolarHBondContact O-N 3.05Å
658R42.6Very low49.3Very low196 Ų196129.6 Ų129.674%0.7466%0.656SS**  trans-91.759.4172.1-80.8-172.2172.7144.61.4111.4D656D656-R658 PolarHBondContact O-N 3.32Å
659N41.4Very low48Very low145 Ų145133.2 Ų133.278%0.77567%0.668SS**  trans-106.972.6172.1-77-24.7000110.5N657N657-N659 VanDerWaalsContact C-N 3.33Å; N657-N659 PolarHBondContact O-N 3.05Å
660S42.1Very low46.9Very low94 Ų94136.6 Ų136.666%0.65768%0.681SS**SBendtrans-167.7-13157.267.60000116.4
661L42.9Very low45.8Very low128 Ų128137.4 Ų137.467%0.6769%0.686SS**SBendtrans-106.1-20.3-176.9-94.6103.4000116.7N663L661-N663 PolarHBondContact O-N 3.06Å
662N44.2Very low44.6Very low105 Ų105137 Ų13756%0.56169%0.688SS**Hα-helixtrans-86.3-4-174.9-71.6-7.6000115.2
663N44.3Very low44Very low141 Ų141135.6 Ų135.675%0.75469%0.687SS**Hα-helixtrans-96.9-5.3179.4-81.9-17.2000114.6L661L661-N663 PolarHBondContact O-N 3.06Å
664I43.7Very low43.5Very low121 Ų121136.7 Ų136.762%0.62169%0.693SS**Hα-helixtrans-99.3-29.9179.4-64.2173.5000111.4T668I664-T668 PolarHBondContact O-OG1 3.17Å
665E44.1Very low42.9Very low137 Ų137139.4 Ų139.464%0.6469%0.694SS**Hα-helixtrans-80.7-29.6178.9-70.4-175.5161.900113.4
666H44.4Very low42.4Very low150 Ų150143.8 Ų143.869%0.69471%0.705SS**Hα-helixtrans-83-14.6177.4-81.8-65.8000115.2
667R40.8Very low42.1Very low206 Ų206144.1 Ų144.178%0.77771%0.706SS**Hα-helixtrans-86.2-17.9172-93-174.5-169.6-157.42.6114.1
668T43.4Very low41.8Very low86 Ų86144.8 Ų144.853%0.52870%0.704SS.*Hα-helixtrans-97.8-19.4-173.7-35.20000112.6I664I664-T668 PolarHBondContact O-OG1 3.17Å
669F43.1Very low41.4Very low164 Ų164143.3 Ų143.372%0.71971%0.71SS**SBendtrans-92.7-16.1178.9-96.8-86.9000115.6
670N43.7Very low41.1Very low132 Ų132142.5 Ų142.571%0.70671%0.71SS**SBendtrans-97.1-7.1-179.1-95.5-6000115.3
671N42.7Very low40.9Very low127 Ų127144 Ų14468%0.67972%0.715SS**SBendtrans-100.9-4.6-178.6-89.3-18.1000115.1
672N42Very low40.6Very low118 Ų118144 Ų14463%0.63173%0.726SS**SBendtrans-109.6-2.1-176.4-72.7-15000115
673N42Very low40.3Very low128 Ų128147.3 Ų147.368%0.68474%0.738SS**SBendtrans-103.61.5179-81-10.7000115.1
674N42.4Very low40Very low149 Ų149147.5 Ų147.580%0.79774%0.739SS**SBendtrans-111.213.9178.5-93.4-9.2000114.2
675R36.5Very low39.8Very low224 Ų224149 Ų14985%0.84575%0.748SS**SBendtrans-124.810-174.2-134.5177.4177.4-176.1-1.9115.4
676F37.4Very low39.5Very low194 Ų194150 Ų15085%0.85176%0.757SS**SBendtrans-120.43.2-179.6-106.3-83.7000115
677N38.7Very low39.5Very low135 Ų135149.7 Ų149.772%0.72276%0.76SS**SBendtrans-112.910.6-178.5-76.8-18.9000114.8
678H36.3Very low39.3Very low160 Ų160145.8 Ų145.874%0.74175%0.754SS**SBendtrans-140.7133.9172.1-63.3-62.1000106.9
679I33.4Very low39.1Very low166 Ų166147.9 Ų147.985%0.85177%0.767SS**SBendtrans98.272.8-171.2-48.5153.4000112.4
680T35.5Very low38.7Very low128 Ų128147 Ų14779%0.78577%0.769SS**SBendtrans169.2138.9133.233.20000109.2
681T38.3Very low38.6Very low124 Ų124149.1 Ų149.176%0.76178%0.779SS**  trans91.344.4-179.4740000117.8Q683T681-Q683 VanDerWaalsContact C-N 3.34Å
682S36.5Very low38.6Very low128 Ų128151.9 Ų151.990%0.89579%0.788SS**SBendtrans-97.837.5150.6-42.80000111.2
683Q37.6Very low38.4Very low176 Ų176152.8 Ų152.882%0.82280%0.797SS**  trans-151.739.8-172.7-74.1-159.6-27.300114.5T681T681-Q683 VanDerWaalsContact C-N 3.34Å
684L38.5Very low38.4Very low145 Ų145155 Ų15576%0.75981%0.809SS**  trans-138.231.1169.8-75.3176.3000112.9
685D37.8Very low38.1Very low152 Ų152157.1 Ų157.181%0.81381%0.814SS**SBendtrans-98.6121.6156.2-67.5-35.6000106
686N39.5Very low38.7Very low157 Ų157157.9 Ų157.984%0.8483%0.832SS**  trans91.887.2-173-53.8-31.5000115.7
687I43.5Very low38.7Very low145 Ų145156.1 Ų156.174%0.74483%0.831SS**  trans-161.593.2140.7-84.7141.9000102.7
688D37.4Very low38.7Very low124 Ų124157.2 Ų157.266%0.66384%0.836SS**  68.499.4107.9-66.1-34.9000111.2
689T37.7Very low38.9Very low130 Ų130157 Ų15780%0.79884%0.842SS**  48.455.266.2-25.10000111
690D36.3Very low39.2Very low144 Ų144156.5 Ų156.577%0.7784%0.841SS**  trans-176.992.1161.5-88.4-26.1000108.2
691I41.1Very low39.4Very low177 Ų177158.3 Ų158.391%0.90885%0.845SS**  trans-173.850.6149.3-81.4143.8000105.8
692E41.4Very low39.5Very low186 Ų186160.5 Ų160.587%0.86985%0.85SS**  trans-95.6143.9146.6-135.3170.6-157.400103.5
693V39.5Very low39.7Very low136 Ų136162.9 Ų162.982%0.82485%0.847SS**  trans91.274.9-166.9-165.60000114.1
694L41.6Very low39.8Very low176 Ų176161.8 Ų161.892%0.92185%0.849SS**  trans-158.963.9135.9-99170.1000108
695Q36.1Very low40Very low193 Ų193163.3 Ų163.390%0.90286%0.856SS**  trans-119.490.8160.5-93.3-179.2-2600106.9
696I47.7Very low40.1Very low239 Ų239164.3 Ų164.3100%1.22686%0.86SS**  trans-149.50143.8-64.1-168.7000105.8

Retrieved 696 of 696 residues in 125.1 ms (Link to these results)