SUS_DROME Loading...

Protein suppressor of sable

RNA-binding protein that suppresses transcription of some RNAs1,2,3,4,5,6. Together with Wdr82, part of a transcription termination checkpoint that promotes transcription termination of RNAs and their subsequent degradation by the nuclear exosome7. Promotes transcription termination of aberrant RNAs, transcripts from genes containing a transposon inserted at their very 5' end or RNAs from heat-shock-inducible repetitive element8,9,10. Binds RNA preferentially at a sequence that resembles a cryptic 5'-splice site11.

AlphaFold DB , UniProt , Accession P22293, Species DROME (Drosophila melanogaster, Fruit fly), Gene su(sable), Length 1,325 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
1M40.6Very low41.6Very low235 Ų235142.2 Ų142.2100%1.15881%0.813SS**  0143.40-74178172.100108.4
2S36.3Very low41.5Very low107 Ų107141 Ų14175%0.74880%0.803SS**  trans47.8121.9144.9-51.10000122.4
3V39.1Very low42Very low130 Ų130142.4 Ų142.479%0.78881%0.805SS**  trans68.1116.9142.1-1770000116.8
4A40.7Very low42.2Very low86 Ų86144.1 Ų144.171%0.71180%0.803SS**  cis95.9162.825.900000115.5
5L42.4Very low42.9Very low161 Ų161146.9 Ų146.984%0.84381%0.807SS**  trans75124.5-170.7-45.7177.2000112.6
6A40.5Very low43.2Very low80 Ų80146.8 Ų146.866%0.66181%0.806SS**  cis78.111529.100000114.8
7D44.1Very low44Very low164 Ų164146.7 Ų146.788%0.87780%0.803SS**  174.9136.8124.7-84.8-16.8000110.9
8E42.6Very low44.7Very low197 Ų197148.1 Ų148.192%0.92180%0.803SS**  trans-98.2141.2164.2-82.9-169129.200110.1
9P49.2Very low44.7Very low113 Ų113147.9 Ų147.973%0.73480%0.802SS**  trans-108.2111.6160.533.7-23.4000111.5
10L38.8Very low45.1Very low150 Ų150144.2 Ų144.279%0.78580%0.799SS**  trans-62.7134.4164.8177.970.7000110.2
11I43.5Very low45.1Very low141 Ų141145 Ų14572%0.72380%0.797SS**  trans-135.8103.1168.6-57.7-179.9000108.5
12D39.6Very low45.3Very low128 Ų128139.6 Ų139.668%0.68477%0.771SS**  trans-75.4130.8158.2-69.6-52.1000109
13L48.8Very low45.7Very low159 Ų159140.8 Ų140.883%0.83277%0.769SS**  trans-150.2110.2151.3-78.9-174.8000108.1
14E44.1Very low45.9Very low167 Ų167141.3 Ų141.378%0.7877%0.768SS**  trans-67.3144.5153.4-58.4106.6136.100110
15E52.8Low46.1Very low185 Ų185144.6 Ų144.686%0.86477%0.773SS**  trans171.7138.3135.5-94.1167.1-173.800110.8
16D48.3Very low46.3Very low146 Ų146144.7 Ų144.778%0.78177%0.769SS**  trans23122.5162.3-57.7-16.1000122
17L57.3Low46.6Very low145 Ų145149 Ų14976%0.75978%0.776SS**  -179.7113.2107.7-86.3166.9000106.8
18E56.3Low46.5Very low172 Ų172147.7 Ų147.780%0.80477%0.769SS**  62.6123.467.1-166-171.2-133.800111.5
19D44.3Very low46.6Very low145 Ų145145.2 Ų145.278%0.77576%0.757SS**  cis-161162.9-15.8-176.315.3000106.4
20G52Low46.2Very low72 Ų72146 Ų14674%0.74275%0.751SS**  trans169.847.5-174.500000119.6
21E46.5Very low46.3Very low163 Ų163146.3 Ų146.376%0.76275%0.748SS**  trans-48.3157.6150.8-76-167.2148.100112.3
22I45Very low45.8Very low120 Ų120144.4 Ų144.462%0.61575%0.748SS**  cis-163.2161.79.7-126.9171.2000113.9
23D43.7Very low45.7Very low132 Ų132143.9 Ų143.971%0.70675%0.754SS**  trans26.7162.7151.7-48.3-23000126.6
24D44.4Very low45.1Very low142 Ų142145.8 Ų145.876%0.75976%0.756SS**  trans-59.3153.6166.1-49.5-83.1000114.4
25D44.9Very low44.7Very low155 Ų155145.2 Ų145.283%0.82976%0.756SS**  175.4162.9108.1-98.2-27.8000116.1
26E46.3Very low43.8Very low162 Ų162144.7 Ų144.776%0.75775%0.754SS**  trans-7129.4173.3-60.2-176.5146.400125.1
27E45.9Very low43.3Very low171 Ų171143.1 Ų143.180%0.79975%0.75SS**  69.9153.7128.5-58.4-164.1142.900125.7
28D42Very low42.4Very low137 Ų137144.6 Ų144.673%0.73375%0.752SS**  trans74.3110.2157.2-71.2-8.4000126.8
29E44.5Very low41.5Very low145 Ų145144.9 Ų144.968%0.67875%0.751SS**  72118.9122.8-65.1-11385.800124.6
30Q41.7Very low41.3Very low130 Ų130147.6 Ų147.661%0.60776%0.756SS**  88.1128.3129.6-72.2-171.240.400125.8
31Q39.8Very low40.3Very low155 Ų155149.2 Ų149.272%0.72475%0.751SS**  trans69.788.2134.7-64.3-167.544.600123.7
32S34.5Very low40Very low102 Ų102151 Ų15171%0.71376%0.757SS**  41.9120118.3650000123.5
33S36.9Very low39.6Very low117 Ų117150.5 Ų150.582%0.81876%0.76SS**  178.6128.3117.443.40000111.4
34K35.4Very low39.6Very low198 Ų198147.9 Ų147.986%0.86176%0.763SS**  76.9105.868.4-131.4-178.3-164.31730115.2
35I35.3Very low39.2Very low155 Ų155147.5 Ų147.580%0.79576%0.761SS**  trans165.998.1148.4-88.2152.6000107.1
36Q34.8Very low39.2Very low174 Ų174148.2 Ų148.281%0.81377%0.765SS**  56.1124.696.1-66.8-169.719.200116.7
37V37.4Very low38.9Very low114 Ų114147.6 Ų147.669%0.69177%0.767SS**  -176.7115.5116.5143.30000113
38Q39.4Very low38.8Very low175 Ų175146 Ų14682%0.81877%0.769SS**  trans57.9162.5145.5-59.9176.643.900122.6
39K37.1Very low38.7Very low179 Ų179147.4 Ų147.478%0.77877%0.771SS**  cis176.3116.8-37.1174.4179.5179.5178.70109.2
40K40.1Very low37.9Very low202 Ų202149.4 Ų149.488%0.87878%0.778SS**  trans-157.2142.8142.1-151163.3-176.3178.80112.7
41T31.5Very low37.9Very low105 Ų105149.7 Ų149.764%0.64479%0.788SS**  trans-121.8158.4179.848.60000109.7
42F38.7Very low37.4Very low201 Ų201144.6 Ų144.688%0.88278%0.777SS**  trans-143.7155.2142.2-132.6-91.1000109.7
43V36.3Very low37.6Very low110 Ų110146 Ų14667%0.66778%0.781SS**  trans-133.5149.8-171.8176.90000108
44G44.1Very low37.4Very low76 Ų76148.9 Ų148.978%0.78478%0.781SS**  trans-159.699.3170.700000109.5
45D36Very low37.1Very low135 Ų135143.6 Ų143.672%0.72278%0.775SS**  trans-75.7149.6163.4-53.6-79.4000109.3
46D45.2Very low37.1Very low169 Ų169145.2 Ų145.290%0.90478%0.776SS**  trans-150.2113.8158.6-103.1-43.7000109.2
47D40.8Very low36.9Very low149 Ų149143.9 Ų143.980%0.79778%0.775SS**  trans-82.4129.2-179.6-79.2-72.2000112.2
48V42.5Very low36.9Very low138 Ų138145.9 Ų145.984%0.83678%0.776SS**  trans-145.296.2154-127.10000108.3
49Q40.3Very low36.4Very low166 Ų166144 Ų14478%0.77677%0.772SS**  64.181.661.1-157.3167.281.700110.9
50F28.9Very low36.6Very low188 Ų188141.7 Ų141.783%0.82577%0.768SS**  67.897.485.9-161.1-73.9000113
51V40.2Very low36.4Very low135 Ų135139.4 Ų139.482%0.81877%0.766SS**  trans-133.2102.1157.7-178.30000108V53V51-V53 HydrophobicContact CG1-CG2 4.34Å
52G30.4Very low37.2Very low48 Ų48143.3 Ų143.350%0.49578%0.776SS.*  trans-92.8146.7161.900000110.2
53V37.5Very low37.6Very low131 Ų131139.7 Ų139.779%0.79477%0.766SS**  trans-135.596.7164.6-177.80000105.3V51V51-V53 HydrophobicContact CG1-CG2 4.34Å
54E32.9Very low37.5Very low178 Ų178140 Ų14083%0.83277%0.769SS**  66.279.269.8-62.4-147.1145.500115.1
55A30.5Very low37.2Very low88 Ų88142.2 Ų142.273%0.72777%0.766SS**  42.4104.7128.400000120.7
56K35.5Very low36.9Very low189 Ų189145.1 Ų145.182%0.82277%0.768SS**  -160.6139.2128.8-88.8125-168166.10107.3
57N29.2Very low36.7Very low146 Ų146143 Ų14378%0.78176%0.761SS**  cis77.265.919.5-138.613.1000114.9
58Q37.6Very low36.4Very low155 Ų155137.7 Ų137.772%0.72474%0.742SS**  trans-146.4131.1147.1-94.9120.78800103.9
59N29Very low36.2Very low137 Ų137136.2 Ų136.273%0.73374%0.735SS**  cis73.7157.545.8-7320.9000114.2
60D41.1Very low35.9Very low130 Ų130133 Ų13370%0.69573%0.731SS**  trans78.6103.6179.8-40.8-16.1000111.1
61D37Very low36Very low154 Ų154129.7 Ų129.782%0.82473%0.727SS**  71.8149.169.2-67.6-53.8000112.9
62E47.9Very low35.5Very low186 Ų186130.4 Ų130.487%0.86973%0.726SS**  cis-89.4-165.1-9.7-58-177.8112.800109.6
63D47Very low35.6Very low125 Ų125132.4 Ų132.467%0.66874%0.738SS**  cis-147.2162.16166.750.8000109.6
64V34.5Very low35.3Very low118 Ų118132.8 Ų132.872%0.71574%0.74SS**  trans-141.7116.5174172.20000111
65V37.8Very low35.1Very low121 Ų121129.1 Ų129.173%0.73373%0.733SS**  trans-106.373.5163.5-171.90000110.8V67V65-V67 HydrophobicContact CG1-CG2 4.02Å
66Y28.9Very low35.1Very low196 Ų196132.3 Ų132.377%0.76974%0.737SS**  trans-80.3124.5164.9170.9-90.4000109.8
67V41.1Very low35.3Very low124 Ų124132 Ų13275%0.75274%0.739SS**  trans-12781.2172.7-170.90000110.8V65V65-V67 HydrophobicContact CG1-CG2 4.02Å
68G34.9Very low35.3Very low39 Ų39131.8 Ų131.840%0.40274%0.737SS.*  trans-96139.3155.300000110.8
69P38.8Very low35Very low106 Ų106128.5 Ų128.569%0.68873%0.732SS**  trans-111.7135139.9-7.527.5000110.1
70S34Very low35.3Very low99 Ų99129.3 Ų129.369%0.69274%0.736SS**  63.990.183.6-51.10000111.4
71T30.1Very low35.1Very low119 Ų119128.4 Ų128.473%0.7374%0.74SS**  77.1151.688.363.50000115
72D30.1Very low35Very low149 Ų149127.4 Ų127.480%0.79774%0.739SS**  trans86.6126.6160.3-54.8-62.5000121.4
73A32.4Very low34.5Very low90 Ų90127.9 Ų127.974%0.74474%0.738SS**  trans80.8112.4148.500000122.9
74V32Very low34Very low139 Ų139127.3 Ų127.384%0.84274%0.744SS**  64.8131126.7-178.90000117.8
75C28.1Very low34.5Very low101 Ų101131.5 Ų131.568%0.68275%0.753SS**  cis-153.6129.622.1-132.10000108.6
76L30.9Very low34.6Very low156 Ų156135.1 Ų135.182%0.81776%0.759SS**  63.7145.397-79.4168.1000119.5
77Q38.2Very low35.2Very low183 Ų183131.9 Ų131.986%0.85576%0.762SS**  trans81.6135.9168.9-55.2-163.123.400117.7
78N30.3Very low35.6Very low140 Ų140135.5 Ų135.575%0.74976%0.762SS**  cis-151.5145.5-14.2-168.912.3000112.5
79S31.9Very low36.5Very low87 Ų87139.1 Ų139.161%0.60878%0.779SS**  trans-49151.3179.1-39.90000117.3
80N34.3Very low37.4Very low153 Ų153142.2 Ų142.282%0.81879%0.788SS**  -175.2146.794.7-101.6-56.1000118.8
81S36.8Very low38.8Very low111 Ų111144.5 Ų144.578%0.77679%0.788SS**  trans63.592.8150-175.10000120.6
82T34.9Very low40.6Very low133 Ų133143 Ų14382%0.81678%0.776SS**  trans-83.8148.8161.351.80000113
83K37.2Very low42.8Very low196 Ų196142.5 Ų142.585%0.85277%0.773SS**  trans-166.6100.2148-114.4163.9-173.4172.10114.1
84S37.5Very low44.9Very low113 Ų113144.1 Ų144.179%0.7977%0.765SS**  trans31.8109.1146.1600000119.2
85K44.3Very low47.2Very low207 Ų207139.5 Ų139.590%0.974%0.741SS**  trans-131152.7153.8-85.2175.7-179.2161.60109.7
86K39.9Very low49.7Very low197 Ų197138.1 Ų138.186%0.85773%0.733SS**PPolyproline II helixtrans-56.3148.8-178.4-66.4176176.7-175.50111.3
87P40.7Very low52.3Low128 Ų128134 Ų13483%0.83172%0.717SS**PPolyproline II helixtrans-60.7153.6-178.626.8-35.5000111.3
88R50.2Low54.3Low199 Ų199129 Ų12975%0.75170%0.695SS**PPolyproline II helixtrans-91.1158.3162-54.1-175.3-162.7175.711107.8
89P54.7Low56.7Low116 Ų116129.5 Ų129.575%0.75369%0.693SS**PPolyproline II helixtrans-50142.6156.5-22.134.2000109.5E91P89-E91 PolarHBondContact O-N 2.98Å
90L57Low59.3Low171 Ų171130.3 Ų130.390%0.89569%0.69SS**PPolyproline II helixtrans-65.2123.4174.5-16071.5000107.5D92L90-D92 PolarHBondContact O-N 3.41Å
91E63.6Low61.7Low147 Ų147125.7 Ų125.769%0.68767%0.673SS**PPolyproline II helixtrans-78.2117.2172.7-72.4163.7136.600105.6P89 D93P89-E91 PolarHBondContact O-N 2.98Å; E91-D93 PolarHBondContact O-N 3.23Å; E91-D93 VanDerWaalsContact O-N 3.11Å
92D67Low63.7Low88 Ų88125 Ų12547%0.47166%0.66SS.*  trans-76.5101.6-170-17823.6000111.8L90 H94 A95 S96L90-D92 PolarHBondContact O-N 3.41Å; D92-H94 PolarHBondContact O-N 3.37Å; D92-H94 VanDerWaalsContact OD1-CB 3.23Å; D92-H94 WeakPolarHBondContact OD1-CB 3.48Å; D92-H94 PolarHBondContact OD1-N 3.07Å; D92-A95 HydrophobicContact CB-CB 4.14Å; D92-A95 PolarHBondContact O-N 2.9Å; D92-A95 VanDerWaalsContact OD2-CB 3.3Å; D92-A95 WeakPolarHBondContact OD2-CB 3.29Å; D92-A95 PolarHBondContact OD2-N 3.37Å; D92-S96 PolarHBondContact O-N 3.14Å; D92-S96 PolarHBondContact O-OG 3.31Å
93D77.6Confident66Low137 Ų137120.4 Ų120.473%0.73364%0.635SS**Hα-helixtrans-60.8-25.6173.7-71.7-43.3000111.7E91 S97E91-D93 PolarHBondContact O-N 3.23Å; E91-D93 VanDerWaalsContact O-N 3.11Å; D93-S97 WeakPolarHBondContact O-CB 3.33Å; D93-S97 PolarHBondContact O-N 2.97Å
94H76.1Confident68.2Low125 Ų125114.5 Ų114.558%0.57961%0.613SS**Hα-helixtrans-72.2-47.7177.7-168.6-131.1000111.8D92 S96 S97 I98D92-H94 PolarHBondContact O-N 3.37Å; D92-H94 VanDerWaalsContact OD1-CB 3.23Å; D92-H94 WeakPolarHBondContact OD1-CB 3.48Å; D92-H94 PolarHBondContact OD1-N 3.07Å; H94-S96 VanDerWaalsContact C-N 3.27Å; H94-S96 PolarHBondContact O-N 3.09Å; H94-S97 CarbonylContact O-C 3.37Å; H94-S97 WeakPolarHBondContact O-CA 3.39Å; H94-S97 WeakPolarHBondContact O-CB 3.5Å; H94-S97 PolarHBondContact O-N 2.94Å; H94-I98 WeakPolarHBondContact O-CG1 3.4Å; H94-I98 PolarHBondContact O-N 3.11Å
95A79.3Confident70.1Confident41 Ų41111.6 Ų111.634%0.33960%0.596SS.*Hα-helixtrans-54.8-42.4171.300000112.4D92 S97 I98 E99D92-A95 HydrophobicContact CB-CB 4.14Å; D92-A95 PolarHBondContact O-N 2.9Å; D92-A95 VanDerWaalsContact OD2-CB 3.3Å; D92-A95 WeakPolarHBondContact OD2-CB 3.29Å; D92-A95 PolarHBondContact OD2-N 3.37Å; A95-S97 VanDerWaalsContact C-N 3.33Å; A95-S97 PolarHBondContact O-N 3.48Å; A95-I98 PolarHBondContact O-N 2.97Å; A95-E99 PolarHBondContact O-N 3.02Å
96S82.3Confident71.5Confident73 Ų73107.5 Ų107.551%0.5158%0.583SS.*Hα-helixtrans-64.4-36.7176-58.50000112.6D92 H94 L100D92-S96 PolarHBondContact O-N 3.14Å; D92-S96 PolarHBondContact O-OG 3.31Å; H94-S96 VanDerWaalsContact C-N 3.27Å; H94-S96 PolarHBondContact O-N 3.09Å; S96-L100 WeakPolarHBondContact O-CB 3.35Å; S96-L100 PolarHBondContact O-N 3.34Å; S96-L100 VanDerWaalsContact O-N 3.14Å
97S84.1Confident73.1Confident70 Ų70105.4 Ų105.449%0.4957%0.574SS.*Hα-helixtrans-67.8-40.8173.2-172.60000112.1D93 H94 A95 L100 A101D93-S97 WeakPolarHBondContact O-CB 3.33Å; D93-S97 PolarHBondContact O-N 2.97Å; H94-S97 CarbonylContact O-C 3.37Å; H94-S97 WeakPolarHBondContact O-CA 3.39Å; H94-S97 WeakPolarHBondContact O-CB 3.5Å; H94-S97 PolarHBondContact O-N 2.94Å; A95-S97 VanDerWaalsContact C-N 3.33Å; A95-S97 PolarHBondContact O-N 3.48Å; S97-L100 PolarHBondContact O-N 3.21Å; S97-A101 VanDerWaalsContact O-CB 3.27Å; S97-A101 WeakPolarHBondContact O-CB 3.44Å; S97-A101 PolarHBondContact O-N 2.73Å
98I81.1Confident74.6Confident78 Ų78108.3 Ų108.340%0.457%0.574SS.*Hα-helixtrans-64-46.9176.1-70.2166.7000110.8H94 A95 L100 A101 I102H94-I98 WeakPolarHBondContact O-CG1 3.4Å; H94-I98 PolarHBondContact O-N 3.11Å; A95-I98 PolarHBondContact O-N 2.97Å; I98-L100 VanDerWaalsContact C-N 3.29Å; I98-L100 PolarHBondContact O-N 3.24Å; I98-A101 PolarHBondContact O-N 3Å; I98-I102 HydrophobicContact CG2-CD1 3.64Å; I98-I102 HydrophobicContact CG2-CG1 4.28Å; I98-I102 WeakPolarHBondContact O-CB 3.48Å; I98-I102 VanDerWaalsContact O-CG1 3.31Å; I98-I102 WeakPolarHBondContact O-CG1 3.46Å; I98-I102 PolarHBondContact O-N 3.42Å
99E80.8Confident75.2Confident149 Ų149107.2 Ų107.270%0.69657%0.574SS**Hα-helixtrans-57.7-42.8174.7-75.5-170.6-175.400111.5A95 A103A95-E99 PolarHBondContact O-N 3.02Å; E99-A103 VanDerWaalsContact O-CB 3.24Å; E99-A103 WeakPolarHBondContact O-CB 3.49Å; E99-A103 PolarHBondContact O-N 2.85Å
100L86.5Confident75.1Confident105 Ų105105.1 Ų105.155%0.5557%0.574SS.*Hα-helixtrans-67.5-38.2177.3-171.763.5000112.4S96 S97 I98 N104S96-L100 WeakPolarHBondContact O-CB 3.35Å; S96-L100 PolarHBondContact O-N 3.34Å; S96-L100 VanDerWaalsContact O-N 3.14Å; S97-L100 PolarHBondContact O-N 3.21Å; I98-L100 VanDerWaalsContact C-N 3.29Å; I98-L100 PolarHBondContact O-N 3.24Å; L100-N104 WeakPolarHBondContact O-CB 3.35Å; L100-N104 PolarHBondContact O-N 3.03Å; L100-N104 PolarHBondContact O-ND2 3.16Å; L100-N104 VanDerWaalsContact O-ND2 3.15Å
101A84.1Confident75Confident56 Ų56104.2 Ų104.246%0.46357%0.568SS.*Hα-helixtrans-67.4-44.7176.500000111.6S97 I98 N104 A105S97-A101 VanDerWaalsContact O-CB 3.27Å; S97-A101 WeakPolarHBondContact O-CB 3.44Å; S97-A101 PolarHBondContact O-N 2.73Å; I98-A101 PolarHBondContact O-N 3Å; A101-N104 CarbonylContact O-C 3.59Å; A101-N104 PolarHBondContact O-N 3.38Å; A101-A105 WeakPolarHBondContact O-CB 3.5Å; A101-A105 PolarHBondContact O-N 3.47Å
102I79.6Confident74.4Confident96 Ų96104.2 Ų104.249%0.49257%0.568SS.*Hα-helixtrans-61.8-46.2173.8-69.3170.6000110.1I98 N104 A105 L106I98-I102 HydrophobicContact CG2-CD1 3.64Å; I98-I102 HydrophobicContact CG2-CG1 4.28Å; I98-I102 WeakPolarHBondContact O-CB 3.48Å; I98-I102 VanDerWaalsContact O-CG1 3.31Å; I98-I102 WeakPolarHBondContact O-CG1 3.46Å; I98-I102 PolarHBondContact O-N 3.42Å; I102-N104 VanDerWaalsContact C-N 3.25Å; I102-N104 PolarHBondContact O-N 2.94Å; I102-A105 PolarHBondContact O-N 3.43Å; I102-L106 HydrophobicContact CG2-CD1 3.91Å; I102-L106 HydrophobicContact CG2-CG 4.5Å; I102-L106 WeakPolarHBondContact O-CB 3.41Å; I102-L106 WeakPolarHBondContact O-CG 3.46Å; I102-L106 PolarHBondContact O-N 2.96Å
103A81.6Confident74Confident37 Ų37104.7 Ų104.731%0.30658%0.576SS.*Hα-helixtrans-61.1-33.217600000112.7E99 K107E99-A103 VanDerWaalsContact O-CB 3.24Å; E99-A103 WeakPolarHBondContact O-CB 3.49Å; E99-A103 PolarHBondContact O-N 2.85Å; A103-K107 WeakPolarHBondContact O-CD 3.27Å; A103-K107 WeakPolarHBondContact O-CE 3.46Å; A103-K107 WeakPolarHBondContact O-CG 3.13Å; A103-K107 PolarHBondContact O-N 3.43Å
104N83.9Confident73.1Confident72 Ų72104.2 Ų104.239%0.38558%0.581SS.*Hα-helixtrans-82.3-29.3176.5-69.5-24.1000113.1L100 A101 I102 K107 K108L100-N104 WeakPolarHBondContact O-CB 3.35Å; L100-N104 PolarHBondContact O-N 3.03Å; L100-N104 PolarHBondContact O-ND2 3.16Å; L100-N104 VanDerWaalsContact O-ND2 3.15Å; A101-N104 CarbonylContact O-C 3.59Å; A101-N104 PolarHBondContact O-N 3.38Å; I102-N104 VanDerWaalsContact C-N 3.25Å; I102-N104 PolarHBondContact O-N 2.94Å; N104-K107 PolarHBondContact OD1-NZ 3.32Å; N104-K107 VanDerWaalsContact OD1-NZ 3.12Å; N104-K108 PolarHBondContact O-N 3.01Å
105A78.1Confident71.8Confident51 Ų51104.9 Ų104.942%0.42159%0.585SS.*Hα-helixtrans-69.3-41.3171.800000111.6A101 I102 K108 K109A101-A105 WeakPolarHBondContact O-CB 3.5Å; A101-A105 PolarHBondContact O-N 3.47Å; I102-A105 PolarHBondContact O-N 3.43Å; A105-K108 PolarHBondContact O-N 2.83Å; A105-K108 VanDerWaalsContact O-N 3.11Å; A105-K109 PolarHBondContact O-N 3.11Å
106L73.2Confident70.9Confident122 Ų122108.8 Ų108.864%0.63961%0.607SS**Hα-helixtrans-59.6-45.3171.9-74.6164.7000111.3I102 K108 K109I102-L106 HydrophobicContact CG2-CD1 3.91Å; I102-L106 HydrophobicContact CG2-CG 4.5Å; I102-L106 WeakPolarHBondContact O-CB 3.41Å; I102-L106 WeakPolarHBondContact O-CG 3.46Å; I102-L106 PolarHBondContact O-N 2.96Å; L106-K108 VanDerWaalsContact C-N 3.27Å; L106-K108 PolarHBondContact O-N 3.01Å; L106-K109 PolarHBondContact O-N 3.4Å
107K74.4Confident69Low153 Ų153116.5 Ų116.567%0.66563%0.625SS**Hα-helixtrans-62.1-29.5172.9-69.9166.2-160.3162.40113.6A103 N104A103-K107 WeakPolarHBondContact O-CD 3.27Å; A103-K107 WeakPolarHBondContact O-CE 3.46Å; A103-K107 WeakPolarHBondContact O-CG 3.13Å; A103-K107 PolarHBondContact O-N 3.43Å; N104-K107 PolarHBondContact OD1-NZ 3.32Å; N104-K107 VanDerWaalsContact OD1-NZ 3.12Å
108K72.2Confident66.8Low189 Ų189121.7 Ų121.782%0.82264%0.644SS**Hα-helixtrans-81.9-23.8178.4-84.8-172.5173.3-175.20114.5N104 A105 L106N104-K108 PolarHBondContact O-N 3.01Å; A105-K108 PolarHBondContact O-N 2.83Å; A105-K108 VanDerWaalsContact O-N 3.11Å; L106-K108 VanDerWaalsContact C-N 3.27Å; L106-K108 PolarHBondContact O-N 3.01Å
109K62.2Low65Low176 Ų176129.8 Ų129.877%0.76567%0.669SS**SBendtrans-90.44.7-175.5-76.2-165.4173.9-174.30115.6A105 L106 I111A105-K109 PolarHBondContact O-N 3.11Å; L106-K109 PolarHBondContact O-N 3.4Å; K109-I111 PolarHBondContact O-N 3.43Å
110G53.1Low62.7Low72 Ų72128 Ų12874%0.74267%0.674SS**  trans68.13.216300000117.4
111I54.2Low60.5Low151 Ų151128.7 Ų128.777%0.77469%0.687SS**  trans-104.583.6178.9-59.8167.6000107.9K109 P113K109-I111 PolarHBondContact O-N 3.43Å; I111-P113 WeakPolarHBondContact O-CD 3.15Å
112E51.7Low58.1Low147 Ų147133.1 Ų133.169%0.68770%0.703SS**  trans-87.3113.3176.5-174.7176.1-167.900110.2
113P57.8Low56.3Low99 Ų99136.9 Ų136.964%0.64372%0.718SS**  trans-66.4136168.328.6-33.1000109.1I111 M115I111-P113 WeakPolarHBondContact O-CD 3.15Å; P113-M115 PolarHBondContact O-N 2.9Å
114P59.4Low54.2Low127 Ų127141.9 Ų141.983%0.82574%0.74SS**  trans-68.399.5-16425.8-35.4000112.8
115M48.9Very low52Low138 Ų138144.2 Ų144.268%0.6876%0.757SS**  trans-64.5135.8174.8-77.1-159.4-67.600111.8P113 R117P113-M115 PolarHBondContact O-N 2.9Å; M115-R117 PolarHBondContact O-N 3.32Å
116P59.4Low50Low123 Ų123146.6 Ų146.680%0.79977%0.771SS**  trans-56.2120170.4-26.635.9000111.7M118P116-M118 PolarHBondContact O-N 2.82Å
117R43.5Very low48.3Very low236 Ų236147.1 Ų147.189%0.89177%0.774SS**  trans-71.190.8-167.8-63.8179.366.9128.62.5113.2M115 R119M115-R117 PolarHBondContact O-N 3.32Å; R117-R119 PolarHBondContact O-N 2.98Å
118M38.3Very low46.4Very low179 Ų179148 Ų14888%0.88278%0.78SS**  trans-67110.1163.5-71.7-161.670.100110.1P116 S120P116-M118 PolarHBondContact O-N 2.82Å; M118-S120 PolarHBondContact O-N 2.79Å; M118-S120 VanDerWaalsContact O-N 3.16Å
119R41.7Very low44.8Very low247 Ų247144 Ų14493%0.93278%0.777SS**  trans-72.3103.4174.1-78.9-172.4171.2-141.31110.5R117R117-R119 PolarHBondContact O-N 2.98Å
120S32.9Very low43.6Very low113 Ų113142.7 Ų142.779%0.7978%0.777SS**  trans-99.1134.6157.7-60.10000109.2M118M118-S120 PolarHBondContact O-N 2.79Å; M118-S120 VanDerWaalsContact O-N 3.16Å
121S40.8Very low42.7Very low118 Ų118147.8 Ų147.883%0.82578%0.782SS**  trans-150.6103.9174-168.60000109.2
122N33.5Very low42Very low149 Ų149144.2 Ų144.280%0.79778%0.782SS**  trans-98.5130.7172.3-66.2-17.5000109.2
123Q41.8Very low41.2Very low175 Ų175143.8 Ų143.882%0.81880%0.795SS**  trans-173127.2154.6-99150.32600105
124D37.9Very low40.1Very low142 Ų142142.8 Ų142.876%0.75980%0.803SS**  63.5118.769.4-59.6-47.5000110.2
125T36.9Very low38.7Very low121 Ų121146.5 Ų146.574%0.74281%0.809SS**  cis-153.6167.423.349.60000114.4
126S35.4Very low37.9Very low101 Ų101143.7 Ų143.771%0.70682%0.815SS**  trans61.1121.1142.964.40000124.1
127D37.5Very low36.6Very low134 Ų134146.1 Ų146.172%0.71782%0.821SS**  trans80.7127.9135.4-91.9-44.6000125.1
128Q35.9Very low35.9Very low170 Ų170139.1 Ų139.179%0.79481%0.813SS**  trans14128.3148.1-61.4169.283.900118.4
129S37.1Very low35.5Very low106 Ų106137.5 Ų137.574%0.74181%0.813SS**  177142.162.2-1650000113.8
130L37.4Very low35.1Very low148 Ų148130.3 Ų130.378%0.77581%0.807SS**  trans46.3120.5138.3-160.270.4000122.7
131E35.5Very low35.2Very low180 Ų180132.6 Ų132.684%0.84181%0.81SS**  trans53.5117152.5-60.1-71115.500120.4
132G38.2Very low35.3Very low75 Ų75132.5 Ų132.577%0.77381%0.807SS**  trans168.196.716600000116.7
133S35.1Very low35.4Very low138 Ų138133.7 Ų133.797%0.96581%0.812SS**  trans-32.6129.3174.7-49.70000117.9
134G34.4Very low35.5Very low78 Ų78133 Ų13380%0.80481%0.813SS**  trans-169.1105.7172.300000114.2
135E31.2Very low35.8Very low206 Ų206134.3 Ų134.396%0.96382%0.815SS**  trans-51.9132.3-177.3-57.9165.5-175.200115.1
136G30.8Very low36.1Very low78 Ų78133.3 Ų133.380%0.80481%0.813SS**  trans171.678.4175.900000119.5
137L32.2Very low36.8Very low175 Ų175134.3 Ų134.392%0.91682%0.815SS**  trans25.8115.5151.9-148.274.1000122.3
138A29.2Very low37.2Very low89 Ų89138.1 Ų138.174%0.73682%0.819SS**  trans59.4110.7143.600000122.4
139T30.3Very low38Very low144 Ų144133.2 Ų133.288%0.88380%0.804SS**  trans-160.4128.3137.4-80.40000110.6
140A33.7Very low38.9Very low97 Ų97132.3 Ų132.380%0.80280%0.797SS**  trans160.4112.1144.700000111.6
141N35.4Very low39.7Very low160 Ų160135 Ų13586%0.85680%0.797SS**  trans-151.1122.3163.2-144.2-15.9000109.4L143N141-L143 PolarHBondContact O-N 3.13Å
142P42.2Very low41.2Very low116 Ų116136.3 Ų136.375%0.75379%0.794SS**  trans-89.9105-158.532.5-35.3000114.6L144P142-L144 PolarHBondContact O-N 3.28Å
143L35.7Very low42.5Very low174 Ų174142.1 Ų142.191%0.91179%0.793SS**  trans-84.764.8179.8-16177.1000113.6N141N141-L143 PolarHBondContact O-N 3.13Å
144L43.3Very low44.5Very low160 Ų160143.5 Ų143.584%0.83878%0.782SS**  trans-128.937.2-171.2-125.6174.4000116P142P142-L144 PolarHBondContact O-N 3.28Å
145Q43.4Very low46.4Very low171 Ų171148.7 Ų148.780%0.79978%0.777SS**  trans-135.3-4.7176.8-64.6-163.110.600117.3T147 R148Q145-T147 PolarHBondContact O-N 3.22Å; Q145-R148 PolarHBondContact O-N 3.32Å
146S44.2Very low48.9Very low99 Ų99144.8 Ų144.869%0.69276%0.757SS**THydrogen-bonded Turntrans-59.2-41-165.3-169.60000115.3R148 S149S146-R148 PolarHBondContact O-N 3.39Å; S146-S149 WeakPolarHBondContact O-CB 3.35Å; S146-S149 PolarHBondContact O-N 3.32Å
147T49.7Very low51.3Low123 Ų123148 Ų14876%0.75575%0.749SS**Hα-helixtrans-61.7-19.1-172.552.10000115.1Q145Q145-T147 PolarHBondContact O-N 3.22Å
148R46.5Very low53.5Low214 Ų214145 Ų14581%0.80873%0.73SS**Hα-helixtrans-79.5-22.3175.5-73.6-177.6143-176.9-4.8113.6Q145 S146 R152Q145-R148 PolarHBondContact O-N 3.32Å; S146-R148 PolarHBondContact O-N 3.39Å; R148-R152 PolarHBondContact O-N 3.16Å
149S52.4Low56Low66 Ų66148.3 Ų148.346%0.46272%0.723SS.*Hα-helixtrans-72.7-44.7-174.5-166.60000112.6S146 R151 R152 R153S146-S149 WeakPolarHBondContact O-CB 3.35Å; S146-S149 PolarHBondContact O-N 3.32Å; S149-R151 PolarHBondContact O-N 3.13Å; S149-R152 WeakPolarHBondContact O-CA 3.26Å; S149-R152 WeakPolarHBondContact O-CB 3.21Å; S149-R152 PolarHBondContact O-N 3.4Å; S149-R152 VanDerWaalsContact O-N 3.09Å; S149-R153 PolarHBondContact O-N 2.98Å
150S55.4Low58.3Low87 Ų87146.4 Ų146.461%0.60870%0.704SS**Hα-helixtrans-60.4-48.6179.4177.10000112.4R152 R153 K154S150-R152 PolarHBondContact O-N 3.22Å; S150-R153 PolarHBondContact O-N 3.29Å; S150-K154 PolarHBondContact O-N 3.09Å
151R54.8Low60.5Low205 Ų205148.7 Ų148.777%0.77469%0.692SS**Hα-helixtrans-60.5-29.2175.4-68.3-176.8177.7175.40.4112.8S149 R155S149-R151 PolarHBondContact O-N 3.13Å; R151-R155 WeakPolarHBondContact O-CB 3.39Å; R151-R155 PolarHBondContact O-N 3.04Å
152R66.3Low62.6Low207 Ų207146.2 Ų146.278%0.78168%0.676SS**Hα-helixtrans-75.5-35173.9-164.9179-174.2-171.61.9112.5R148 S149 S150 K156R148-R152 PolarHBondContact O-N 3.16Å; S149-R152 WeakPolarHBondContact O-CA 3.26Å; S149-R152 WeakPolarHBondContact O-CB 3.21Å; S149-R152 PolarHBondContact O-N 3.4Å; S149-R152 VanDerWaalsContact O-N 3.09Å; S150-R152 PolarHBondContact O-N 3.22Å; R152-K156 PolarHBondContact O-N 2.92Å; R152-K156 VanDerWaalsContact O-N 3.09Å
153R67.2Low64.4Low197 Ų197146.6 Ų146.674%0.74367%0.667SS**Hα-helixtrans-68-46.7171.7-74.7-173.1176.1-175-1.3111.9S149 S150 R155 K156 K157S149-R153 PolarHBondContact O-N 2.98Å; S150-R153 PolarHBondContact O-N 3.29Å; R153-R155 PolarHBondContact O-N 3.19Å; R153-K156 WeakPolarHBondContact O-CB 3.49Å; R153-K156 PolarHBondContact O-N 2.9Å; R153-K157 PolarHBondContact O-N 3.09Å
154K76.3Confident66.6Low167 Ų167143.5 Ų143.573%0.72665%0.647SS**Hα-helixtrans-57.8-49.1177.2-169.6164.5-177.3169.40111.3S150 K156 K157 E158S150-K154 PolarHBondContact O-N 3.09Å; K154-K156 VanDerWaalsContact C-N 3.27Å; K154-K156 PolarHBondContact O-N 3.41Å; K154-K157 PolarHBondContact O-N 3.31Å; K154-E158 WeakPolarHBondContact O-CB 3.43Å; K154-E158 PolarHBondContact O-N 3.02Å
155R74.3Confident68.6Low188 Ų188143.2 Ų143.271%0.70964%0.638SS**Hα-helixtrans-63.2-23.3173.2-81.8-175.6165.6-172.3-4.4115.2R151 R153 R159R151-R155 WeakPolarHBondContact O-CB 3.39Å; R151-R155 PolarHBondContact O-N 3.04Å; R153-R155 PolarHBondContact O-N 3.19Å; R155-R159 WeakPolarHBondContact O-CB 3.35Å; R155-R159 PolarHBondContact O-N 3.36Å
156K82.8Confident70.6Confident124 Ų124139.9 Ų139.954%0.53963%0.626SS.*Hα-helixtrans-73.3-52.3171.6-166.5-170.4174.8-91.10110.2R152 R153 K154 E158 R159 E160R152-K156 PolarHBondContact O-N 2.92Å; R152-K156 VanDerWaalsContact O-N 3.09Å; R153-K156 WeakPolarHBondContact O-CB 3.49Å; R153-K156 PolarHBondContact O-N 2.9Å; K154-K156 VanDerWaalsContact C-N 3.27Å; K154-K156 PolarHBondContact O-N 3.41Å; K156-E158 VanDerWaalsContact C-N 3.27Å; K156-E158 PolarHBondContact O-N 3.34Å; K156-R159 PolarHBondContact O-N 2.98Å; K156-E160 IonicContact NZ-OE1 3.76Å; K156-E160 PolarHBondContact NZ-OE1 3.15Å; K156-E160 IonicContact NZ-OE2 3.65Å; K156-E160 PolarHBondContact NZ-OE2 2.97Å; K156-E160 VanDerWaalsContact O-CB 3.26Å; K156-E160 WeakPolarHBondContact O-CB 3.49Å; K156-E160 PolarHBondContact O-N 3.37Å
157K82Confident72.3Confident146 Ų146141.8 Ų141.864%0.63562%0.622SS**Hα-helixtrans-59-39.6179.6-167.7178.2-179.1-174.40111.3R153 K154 E160 R161R153-K157 PolarHBondContact O-N 3.09Å; K154-K157 PolarHBondContact O-N 3.31Å; K157-E160 PolarHBondContact O-N 2.88Å; K157-R161 PolarHBondContact O-N 3.41Å
158E78.2Confident73.6Confident112 Ų112140.7 Ų140.752%0.52361%0.608SS.*Hα-helixtrans-56-57172.9-173173.8-144.500111.9K154 K156 E160 R161 E162K154-E158 WeakPolarHBondContact O-CB 3.43Å; K154-E158 PolarHBondContact O-N 3.02Å; K156-E158 VanDerWaalsContact C-N 3.27Å; K156-E158 PolarHBondContact O-N 3.34Å; E158-E160 PolarHBondContact O-N 3.05Å; E158-E160 VanDerWaalsContact O-N 3.13Å; E158-R161 PolarHBondContact O-N 2.87Å; E158-E162 PolarHBondContact O-N 2.88Å
159R83Confident75.1Confident158 Ų158136.9 Ų136.960%0.59660%0.6SS**Hα-helixtrans-68.8-10.1179.5-147.5-176.7-160.1-167.76.3114.7R155 K156 Q163R155-R159 WeakPolarHBondContact O-CB 3.35Å; R155-R159 PolarHBondContact O-N 3.36Å; K156-R159 PolarHBondContact O-N 2.98Å; R159-Q163 PolarHBondContact O-N 3.02Å; R159-Q163 PolarHBondContact O-NE2 3.24Å
160E76.6Confident76.2Confident103 Ų103139.1 Ų139.148%0.48160%0.603SS.*Hα-helixtrans-94.4-35.8177.2-157.5151.5-137.600110.2K156 K157 E158 K164K156-E160 IonicContact NZ-OE1 3.76Å; K156-E160 PolarHBondContact NZ-OE1 3.15Å; K156-E160 IonicContact NZ-OE2 3.65Å; K156-E160 PolarHBondContact NZ-OE2 2.97Å; K156-E160 VanDerWaalsContact O-CB 3.26Å; K156-E160 WeakPolarHBondContact O-CB 3.49Å; K156-E160 PolarHBondContact O-N 3.37Å; K157-E160 PolarHBondContact O-N 2.88Å; E158-E160 PolarHBondContact O-N 3.05Å; E158-E160 VanDerWaalsContact O-N 3.13Å; E160-K164 PolarHBondContact O-N 2.9Å
161R80.8Confident77Confident145 Ų145139.8 Ų139.855%0.54760%0.6SS.*Hα-helixtrans-67.7-40.2166.7-136.7178.2-162.3-162.23.5110.7K157 E158 K164 K165 D647K157-R161 PolarHBondContact O-N 3.41Å; E158-R161 PolarHBondContact O-N 2.87Å; R161-K164 PolarHBondContact O-N 3.01Å; R161-K165 PolarHBondContact O-N 3.02Å; R161-D647 IonicContact CZ-OD2 2.69Å; R161-D647 IonicContact NH2-OD2 3.51Å; R161-D647 PolarHBondContact NH2-OD2 3.5Å
162E79.3Confident77.6Confident109 Ų109138.1 Ų138.151%0.50959%0.593SS.*Hα-helixtrans-57.1-54170.3-73.5-178.9142.300111.4E158 K164 K165 D166E158-E162 PolarHBondContact O-N 2.88Å; E162-K164 VanDerWaalsContact C-N 3.31Å; E162-K164 PolarHBondContact O-N 2.81Å; E162-K165 CarbonylContact O-C 3.58Å; E162-K165 PolarHBondContact O-N 3.01Å; E162-D166 PolarHBondContact O-N 2.79Å
163Q80.8Confident77.7Confident124 Ų124130.6 Ų130.658%0.57957%0.573SS**Hα-helixtrans-64.4-29.1179.6-88.1171.798.900114.1R159 K167R159-Q163 PolarHBondContact O-N 3.02Å; R159-Q163 PolarHBondContact O-NE2 3.24Å; Q163-K167 WeakPolarHBondContact O-CB 3.49Å; Q163-K167 PolarHBondContact O-N 3.39Å; Q163-K167 VanDerWaalsContact O-N 3.15Å
164K82.5Confident77.6Confident109 Ų109129.2 Ų129.247%0.47457%0.567SS.*Hα-helixtrans-63.7-48.2170-167.2-175.4177.8-167.70109.3E160 R161 E162 K167 E168 P644E160-K164 PolarHBondContact O-N 2.9Å; R161-K164 PolarHBondContact O-N 3.01Å; E162-K164 VanDerWaalsContact C-N 3.31Å; E162-K164 PolarHBondContact O-N 2.81Å; K164-K167 PolarHBondContact O-N 3.1Å; K164-E168 WeakPolarHBondContact O-CB 3.35Å; K164-E168 PolarHBondContact O-N 2.9Å; K164-P644 PolarHBondContact NZ-O 2.96Å
165K85.1Confident76.7Confident153 Ų153131 Ų13167%0.66557%0.57SS**Hα-helixtrans-67.3-42.7-178.3-159.7163.5-172.7165.70113.3R161 E162 K167 E168 Q169R161-K165 PolarHBondContact O-N 3.02Å; E162-K165 CarbonylContact O-C 3.58Å; E162-K165 PolarHBondContact O-N 3.01Å; K165-K167 VanDerWaalsContact C-N 3.33Å; K165-K167 PolarHBondContact O-N 2.75Å; K165-E168 PolarHBondContact O-N 2.78Å; K165-Q169 PolarHBondContact O-N 3.12Å
166D83.8Confident75.9Confident102 Ų102126.7 Ų126.755%0.54556%0.561SS.*Hα-helixtrans-59.6-43173.1-73.3-8.3000111.5E162 Q170E162-D166 PolarHBondContact O-N 2.79Å; D166-Q170 WeakPolarHBondContact O-CB 3.4Å; D166-Q170 PolarHBondContact O-N 3.18Å
167K80.9Confident74.7Confident139 Ų139128 Ų12860%0.60457%0.569SS**Hα-helixtrans-74.7-29.2-179.3-171167.1-177.5175.80112.5Q163 K164 K165 N171Q163-K167 WeakPolarHBondContact O-CB 3.49Å; Q163-K167 PolarHBondContact O-N 3.39Å; Q163-K167 VanDerWaalsContact O-N 3.15Å; K164-K167 PolarHBondContact O-N 3.1Å; K165-K167 VanDerWaalsContact C-N 3.33Å; K165-K167 PolarHBondContact O-N 2.75Å; K167-N171 WeakPolarHBondContact O-CB 3.33Å; K167-N171 PolarHBondContact O-N 3.4Å
168E76.6Confident73.1Confident100 Ų100128.2 Ų128.247%0.46758%0.576SS.*Hα-helixtrans-71.8-44.1171.8-162.7179.3132.200111.3K164 K165 Q170 N171 R172K164-E168 WeakPolarHBondContact O-CB 3.35Å; K164-E168 PolarHBondContact O-N 2.9Å; K165-E168 PolarHBondContact O-N 2.78Å; E168-Q170 VanDerWaalsContact C-N 3.34Å; E168-Q170 PolarHBondContact O-N 2.89Å; E168-N171 PolarHBondContact O-N 3.3Å; E168-N171 VanDerWaalsContact O-N 3.16Å; E168-R172 PolarHBondContact O-N 3.38Å; E168-R172 IonicContact OE1-NH1 2.74Å
169Q77.2Confident71.7Confident134 Ų134130 Ų13063%0.62659%0.59SS**Hα-helixtrans-58.2-43.8169.4-89.9-167.8-21.100112K165 N171 R172 S173K165-Q169 PolarHBondContact O-N 3.12Å; Q169-N171 VanDerWaalsContact C-N 3.29Å; Q169-N171 PolarHBondContact O-N 3.34Å; Q169-R172 PolarHBondContact O-N 2.92Å; Q169-S173 WeakPolarHBondContact O-CB 3.21Å; Q169-S173 PolarHBondContact O-N 3.13Å
170Q76.1Confident69.9Low113 Ų113128.2 Ų128.253%0.52860%0.596SS.*Hα-helixtrans-69.1-24.6177.3-176.3165.693.700113.3D166 E168 S173 R174D166-Q170 WeakPolarHBondContact O-CB 3.4Å; D166-Q170 PolarHBondContact O-N 3.18Å; E168-Q170 VanDerWaalsContact C-N 3.34Å; E168-Q170 PolarHBondContact O-N 2.89Å; Q170-S173 PolarHBondContact O-OG 3.11Å; Q170-R174 VanDerWaalsContact O-CB 3.24Å; Q170-R174 WeakPolarHBondContact O-CB 3.41Å; Q170-R174 WeakPolarHBondContact O-CD 3.35Å; Q170-R174 WeakPolarHBondContact O-CG 3.47Å; Q170-R174 PolarHBondContact O-N 2.94Å; Q170-R174 VanDerWaalsContact O-N 3.16Å
171N72.3Confident68.3Low101 Ų101128.5 Ų128.554%0.5461%0.609SS.*Hα-helixtrans-80.1-35.9171.8-84.7-4.1000112.3K167 E168 Q169 R175K167-N171 WeakPolarHBondContact O-CB 3.33Å; K167-N171 PolarHBondContact O-N 3.4Å; E168-N171 PolarHBondContact O-N 3.3Å; E168-N171 VanDerWaalsContact O-N 3.16Å; Q169-N171 VanDerWaalsContact C-N 3.29Å; Q169-N171 PolarHBondContact O-N 3.34Å; N171-R175 PolarHBondContact O-N 3.18Å
172R67.8Low66.5Low170 Ų170127.9 Ų127.964%0.64262%0.622SS**Hα-helixtrans-62.1-54.7169-99.9176.2155.6135.2-10.5110.1E168 Q169 R174 R175 D176E168-R172 PolarHBondContact O-N 3.38Å; E168-R172 IonicContact OE1-NH1 2.74Å; Q169-R172 PolarHBondContact O-N 2.92Å; R172-R174 PolarHBondContact O-N 2.99Å; R172-R174 VanDerWaalsContact O-N 3.13Å; R172-R175 WeakPolarHBondContact O-CA 3.34Å; R172-R175 VanDerWaalsContact O-CB 3.29Å; R172-R175 WeakPolarHBondContact O-CB 3.33Å; R172-R175 PolarHBondContact O-N 3.18Å; R172-D176 PolarHBondContact O-N 3.13Å; R172-D176 VanDerWaalsContact O-OD2 3.1Å
173S68.6Low64.7Low49 Ų49129.2 Ų129.234%0.34364%0.637SS.*Hα-helixtrans-59.6-31.6179.284.10000113.2Q169 Q170 R175 D176 E177Q169-S173 WeakPolarHBondContact O-CB 3.21Å; Q169-S173 PolarHBondContact O-N 3.13Å; Q170-S173 PolarHBondContact O-OG 3.11Å; S173-R175 VanDerWaalsContact C-N 3.33Å; S173-D176 PolarHBondContact O-N 2.95Å; S173-E177 VanDerWaalsContact O-CB 3.29Å; S173-E177 WeakPolarHBondContact O-CB 2.83Å; S173-E177 WeakPolarHBondContact O-CG 3.02Å; S173-E177 PolarHBondContact O-N 2.74Å
174R64.6Low62.8Low167 Ų167129.5 Ų129.563%0.6365%0.649SS**Hα-helixtrans-78.1-12.6173.1-79.8178.2163.6-157.6-8114.9Q170 R172Q170-R174 VanDerWaalsContact O-CB 3.24Å; Q170-R174 WeakPolarHBondContact O-CB 3.41Å; Q170-R174 WeakPolarHBondContact O-CD 3.35Å; Q170-R174 WeakPolarHBondContact O-CG 3.47Å; Q170-R174 PolarHBondContact O-N 2.94Å; Q170-R174 VanDerWaalsContact O-N 3.16Å; R172-R174 PolarHBondContact O-N 2.99Å; R172-R174 VanDerWaalsContact O-N 3.13Å
175R57.4Low60.7Low206 Ų206128.1 Ų128.178%0.77767%0.666SS**Hα-helixtrans-83.3-43.2166.6-158.2173.9-172.3-171.2-2109.6N171 R172 S173 N178N171-R175 PolarHBondContact O-N 3.18Å; R172-R175 WeakPolarHBondContact O-CA 3.34Å; R172-R175 VanDerWaalsContact O-CB 3.29Å; R172-R175 WeakPolarHBondContact O-CB 3.33Å; R172-R175 PolarHBondContact O-N 3.18Å; S173-R175 VanDerWaalsContact C-N 3.33Å; R175-N178 PolarHBondContact O-N 3.35Å
176D57.8Low58.6Low97 Ų97124.2 Ų124.252%0.51967%0.669SS.*Hα-helixtrans-69.7-44.5-179.6-48.6-32.1000112.3R172 S173 N178 D179R172-D176 PolarHBondContact O-N 3.13Å; R172-D176 VanDerWaalsContact O-OD2 3.1Å; S173-D176 PolarHBondContact O-N 2.95Å; D176-N178 PolarHBondContact O-N 3Å; D176-D179 PolarHBondContact O-N 2.75Å
177E56.9Low56.7Low152 Ų152125.3 Ų125.371%0.7168%0.679SS**THydrogen-bonded Turntrans-70-11.2178.6-72.9-164.9137.100113.9S173 D179S173-E177 VanDerWaalsContact O-CB 3.29Å; S173-E177 WeakPolarHBondContact O-CB 2.83Å; S173-E177 WeakPolarHBondContact O-CG 3.02Å; S173-E177 PolarHBondContact O-N 2.74Å; E177-D179 VanDerWaalsContact C-N 3.34Å
178N49.8Very low55Low149 Ų149127.2 Ų127.280%0.79769%0.691SS**THydrogen-bonded Turntrans-84.7-8.3168.4-96.31.8000113R175 D176R175-N178 PolarHBondContact O-N 3.35Å; D176-N178 PolarHBondContact O-N 3Å
179D47.5Very low53.8Low150 Ų150129.3 Ų129.380%0.80271%0.705SS**SBendtrans-114.920.1178.8-127.6-26.5000112.6D176 E177D176-D179 PolarHBondContact O-N 2.75Å; E177-D179 VanDerWaalsContact C-N 3.34Å
180V46.3Very low52.6Low121 Ų121130 Ų13073%0.73371%0.71SS**  trans-118.272.1173.5-175.80000110.8
181S42.9Very low51.5Low108 Ų108129.7 Ų129.776%0.75571%0.712SS**SBendtrans-151.2134.4149.8660000112.4
182V41.3Very low50.9Low133 Ų133132.7 Ų132.781%0.80672%0.723SS**SBendtrans79.776.2176.9-162.10000117.1
183V42.6Very low50.4Low136 Ų136132.9 Ų132.982%0.82473%0.725SS**  trans75.3126.8142.1-174.20000117.3
184P39.9Very low49.9Very low130 Ų130136 Ų13684%0.84473%0.734SS**  trans-100.7155.1-156.339.1-36.2000115.2
185G40.3Very low49.8Very low80 Ų80135.1 Ų135.183%0.82574%0.738SS**  trans-17493.7168.700000115.4
186G40.2Very low50.1Low71 Ų71132.3 Ų132.373%0.73274%0.736SS**  trans73121.3145.100000119.7
187V44.1Very low49.9Very low126 Ų126133.7 Ų133.776%0.76474%0.743SS**  trans53.8106.5160.8-59.80000116.9
188E45.2Very low49.9Very low179 Ų179132.4 Ų132.484%0.83675%0.746SS**  74.9150.263.6-63170.3154.600112.6
189D51.6Low49.5Very low144 Ų144137 Ų13777%0.7775%0.752SS**  trans-60141-165.8-69.6-81.5000113.2D191D189-D191 VanDerWaalsContact C-N 3.31Å; D189-D191 PolarHBondContact O-N 3.23Å
190M50.8Low49.1Very low147 Ų147133.5 Ų133.572%0.72475%0.751SS**  trans-73.294.1159.3-103.1-168.2177.800107.7E194M190-E194 WeakPolarHBondContact CE-OE1 3.42Å; M190-E194 WeakPolarHBondContact CE-OE2 3.43Å
191D54Low48.7Very low107 Ų107131.4 Ų131.457%0.57275%0.753SS**  trans-52.9154.2-178.3-70.7-42.2000113D189 Y193 E194D189-D191 VanDerWaalsContact C-N 3.31Å; D189-D191 PolarHBondContact O-N 3.23Å; D191-Y193 PolarHBondContact O-N 3.34Å; D191-E194 PolarHBondContact O-N 2.89Å
192E59.5Low48.5Very low165 Ų165132.1 Ų132.177%0.77176%0.759SS**THydrogen-bonded Turntrans-54.7-16.2171.2-160.2165.317700112.9
193Y56.2Low48.8Very low174 Ų174131.5 Ų131.568%0.68276%0.758SS**THydrogen-bonded Turntrans-75.1-34.3172.8-81.7-90.2000115.3D191 M195 M196D191-Y193 PolarHBondContact O-N 3.34Å; Y193-M195 VanDerWaalsContact C-N 3.27Å; Y193-M195 PolarHBondContact O-N 3.03Å; Y193-M196 PolarHBondContact O-N 3.47Å
194E59.9Low49.2Very low114 Ų114130.9 Ų130.953%0.53376%0.756SS.*G310 helixtrans-69.1-30.8-177.1-170167.8162.600111.4M190 D191 M196 N197M190-E194 WeakPolarHBondContact CE-OE1 3.42Å; M190-E194 WeakPolarHBondContact CE-OE2 3.43Å; D191-E194 PolarHBondContact O-N 2.89Å; E194-M196 PolarHBondContact O-N 3.02Å; E194-N197 PolarHBondContact O-N 2.88Å
195M62.4Low49.4Very low148 Ų148130.6 Ų130.673%0.72975%0.754SS**G310 helixtrans-68.5-11.7173.2-71.1-179.1-75.700114Y193Y193-M195 VanDerWaalsContact C-N 3.27Å; Y193-M195 PolarHBondContact O-N 3.03Å
196M62.5Low49.5Very low147 Ų147131 Ų13172%0.72476%0.758SS**G310 helixtrans-93.4-18.1177.9-70.1-124.8-76.400114.4Y193 E194 V198Y193-M196 PolarHBondContact O-N 3.47Å; E194-M196 PolarHBondContact O-N 3.02Å; M196-V198 PolarHBondContact O-N 3.42Å
197N54.9Low49.4Very low126 Ų126131.5 Ų131.567%0.67476%0.763SS**  trans-863.2-170.7-74.6-0000115.2E194 R199E194-N197 PolarHBondContact O-N 2.88Å; N197-R199 VanDerWaalsContact C-N 3.31Å; N197-R199 PolarHBondContact O-N 2.82Å; N197-R199 VanDerWaalsContact O-N 3.11Å
198V55Low49.2Very low125 Ų125130 Ų13076%0.75876%0.764SS**THydrogen-bonded Turntrans-89.239.8-170.4-158.90000113.9M196M196-V198 PolarHBondContact O-N 3.42Å
199R42.9Very low49.1Very low247 Ų247125.8 Ų125.893%0.93276%0.76SS**THydrogen-bonded Turntrans-157.645.6160.7-138.7176.4-177.784.22.8118.6N197N197-R199 VanDerWaalsContact C-N 3.31Å; N197-R199 PolarHBondContact O-N 2.82Å; N197-R199 VanDerWaalsContact O-N 3.11Å
200G39.1Very low48.8Very low75 Ų75124.7 Ų124.777%0.77376%0.761SS**SBendtrans163120.8158.200000116.1
201G37.3Very low48.7Very low77 Ų77122.6 Ų122.679%0.79476%0.758SS**  trans99.8132.6175.400000114
202S38Very low47.8Very low124 Ų124125.2 Ų125.287%0.86777%0.771SS**  trans-105.6134.2-172.7-55.50000112.7
203P48.9Very low47Very low120 Ų120123.1 Ų123.178%0.77978%0.775SS**  trans-87.5160.3163.8-6.725.7000112.9
204P50.7Low46.1Very low123 Ų123120 Ų12080%0.79978%0.779SS**  trans-110.7-157.2-164.749.1-39.6000112.1
205P44.9Very low44.8Very low124 Ų124120.2 Ų120.281%0.80579%0.791SS**  -126.2134.8-125.528-3.3000118.2
206G40.5Very low43.5Very low87 Ų87116 Ų11690%0.89779%0.786SS**  trans68.4103.9130.600000122.6
207G39.8Very low42.4Very low82 Ų82116.5 Ų116.585%0.84579%0.787SS**  trans145.1144156.900000112.7
208A39.6Very low41.5Very low94 Ų94119.1 Ų119.178%0.77779%0.787SS**  cis-150.8139.9-8.600000107.3
209A42.9Very low40.6Very low91 Ų91121.8 Ų121.875%0.75279%0.789SS**  57.315188.500000115.7
210P45.5Very low40.4Very low122 Ų122115.3 Ų115.379%0.79278%0.781SS**  cis-136-137.1-14.930.8-3.3000112.7
211P47.4Very low40.2Very low103 Ų103114.8 Ų114.867%0.66978%0.776SS**  -140.5177.2-90.346.1-29.7000119.4
212L36.3Very low40.4Very low161 Ų161115 Ų11584%0.84377%0.77SS**  trans61.8125.9138.3-80.2162.8000123.4
213S41.3Very low40.2Very low121 Ų121115.4 Ų115.485%0.84676%0.762SS**  179.7149126.8-84.60000110.5
214S38.2Very low39.7Very low109 Ų109119.4 Ų119.476%0.76276%0.762SS**  cis-155.91537-171.80000112.7
215C32.1Very low38.9Very low118 Ų118119.9 Ų119.980%0.79776%0.758SS**  trans57.8136156.1-159.30000120.7
216G36.2Very low38.8Very low60 Ų60120.7 Ų120.762%0.61975%0.753SS**  cis152.5164.2-8.500000114.1
217Q39.5Very low38.7Very low158 Ų158123.5 Ų123.574%0.73875%0.747SS**  trans74.6139.7171.9-59.9-173.135.900116.3
218R35.7Very low38.9Very low181 Ų181126 Ų12668%0.68374%0.741SS**  cis-162.6146.7-0.5-106.8169.2-157.1-92.7-2.7110.1
219F36.8Very low38.8Very low181 Ų181124.7 Ų124.779%0.79474%0.737SS**  trans48.3148.8141.1-69.4-128.7000119.3
220S37.3Very low38.7Very low110 Ų110126 Ų12677%0.76974%0.74SS**  cis-172.6171.2-8.2-84.90000106.1
221G35.2Very low38.4Very low65 Ų65125.2 Ų125.267%0.6774%0.744SS**  cis136.650.5-2.200000115.8
222A41.6Very low38.1Very low80 Ų80124.3 Ų124.366%0.66175%0.745SS**  trans-155.5148.6165.600000108.1
223D33.7Very low38.2Very low133 Ų133123.4 Ų123.471%0.71175%0.747SS**  cis84.2157.929.8-147.7-3.9000113.5
224W38.4Very low38Very low204 Ų204121 Ų12177%0.77374%0.741SS**  trans72.3119.7-164.3-35.2112.2000113
225D34.1Very low38Very low133 Ų133120.7 Ų120.771%0.71175%0.745SS**  cis65.7146.223.7-162.135.4000114.8
226M42.9Very low38.1Very low141 Ų141120 Ų12070%0.69575%0.748SS**  trans103.8143-160.6-64.5-4690.900112.7
227D38.5Very low38.2Very low147 Ų147120.3 Ų120.379%0.78675%0.751SS**  cis-167.1175.1-20.4-172.723.6000108
228D42.7Very low37.9Very low135 Ų135121.6 Ų121.672%0.72276%0.762SS**  trans68.1117.9165.9-161.630000118.4
229G38.6Very low37.9Very low66 Ų66116.7 Ų116.768%0.6877%0.768SS**  cis160.8-168.8-10.300000116.2
230S40.9Very low37.9Very low117 Ų117112.9 Ų112.982%0.81877%0.77SS**  trans61.988.7151.4-59.10000120.5
231A38.6Very low37.9Very low106 Ų106111.7 Ų111.788%0.87677%0.774SS**  160.1136.9120.700000111.9
232A41.4Very low38Very low84 Ų84112.6 Ų112.669%0.69478%0.784SS**  cis-157.6167.1-14.700000109.2
233T39Very low37.9Very low142 Ų142112.6 Ų112.687%0.87179%0.792SS**  trans18.5123155.855.20000118.9
234G36.1Very low38.1Very low71 Ų71110.5 Ų110.573%0.73280%0.801SS**  cis128.7150.314.200000110.7
235A37.8Very low38.1Very low102 Ų102104 Ų10484%0.84380%0.797SS**  trans64.1130.5-167.400000113.5
236A34.9Very low38.6Very low105 Ų105107.4 Ų107.487%0.86880%0.802SS**  cis78119.34700000113.3
237G37.9Very low38.5Very low65 Ų65108 Ų10867%0.6781%0.808SS**  trans117.7118.2-164.900000108.8
238L32.9Very low38.8Very low185 Ų185105.8 Ų105.897%0.96980%0.804SS**  73.5100.354.6-64.6174.8000113.3
239G35.9Very low38.5Very low78 Ų78107.6 Ų107.680%0.80481%0.808SS**  trans76.8176.2171.100000115.4
240A38Very low38.4Very low102 Ų102108.8 Ų108.884%0.84381%0.805SS**  cis-166.6129.1-19.800000111.1
241G36.1Very low38.3Very low84 Ų84107.5 Ų107.587%0.86680%0.797SS**  trans72.6156152.300000119.6
242G39.1Very low38.4Very low85 Ų85111.9 Ų111.988%0.87679%0.792SS**  trans90.1116.7162.300000116.3
243G38.4Very low38.4Very low80 Ų80113.3 Ų113.383%0.82579%0.788SS**  cis142.2138.3-1300000114.3
244G37.4Very low38.3Very low88 Ų88111 Ų11191%0.90778%0.777SS**  trans80.4141.9179.600000113.6
245G39.5Very low38.9Very low67 Ų67117.7 Ų117.769%0.69178%0.782SS**  cis176.4165.2-3.800000108.5
246Y43.8Very low38.8Very low205 Ų205117 Ų11780%0.80477%0.771SS**  cis-160.8145.99.939.1-96.4000110.3
247N41.6Very low39Very low154 Ų154118.8 Ų118.882%0.82477%0.766SS**  trans59151157.5-59.75.7000119.3
248S43.5Very low39.2Very low100 Ų100123.2 Ų123.270%0.69977%0.77SS**  cis-154.4143.63.6-137.60000113.3
249H38.2Very low39.6Very low174 Ų174121.5 Ų121.581%0.80676%0.757SS**  trans54.9126.8162.4-10945000119.2
250S35.9Very low40Very low90 Ų90122.7 Ų122.763%0.62975%0.748SS**  cis75.4133.829.7-154.80000113
251S37.9Very low40.1Very low91 Ų91124.9 Ų124.964%0.63675%0.746SS**  cis-167.2166.2-131.50000107.9
252Y40.9Very low40.2Very low197 Ų197123.6 Ų123.677%0.77373%0.733SS**  -176.7132.779.9-161.3-99000113.8
253D40.8Very low40.2Very low114 Ų114125.7 Ų125.761%0.6173%0.731SS**  trans-19.9150.3158.8-67.8-73.8000119.7
254S38.5Very low40.3Very low93 Ų93124.4 Ų124.465%0.6572%0.717SS**  cis106.2111.227.2-68.70000114.4
255Y47Very low40.9Very low212 Ų212127.4 Ų127.483%0.83171%0.712SS**  trans-154.8127.5156.4-68.5-70.9000105.6
256S37.2Very low41.3Very low88 Ų88132.2 Ų132.262%0.61572%0.719SS**  cis67142.634.2123.70000112.3
257D37.9Very low41.4Very low143 Ų143127.6 Ų127.677%0.76571%0.708SS**  cis-152.5-178.8-4.7-80.2-47.3000107
258E41.9Very low41.9Very low158 Ų158126.8 Ų126.874%0.73870%0.699SS**  cis-164.11797.9-137.2-80.771.100108.2
259E42.8Very low42.2Very low149 Ų149132.4 Ų132.470%0.69671%0.705SS**  trans70.7157.2155.5-68-162.8122.900119.3
260T42.9Very low42.9Very low102 Ų102133.5 Ų133.563%0.62670%0.702SS**  cis-160.5172.3-20.433.10000107.5
261N40.3Very low43.8Very low148 Ų148138.4 Ų138.479%0.79171%0.707SS**  cis-153.1168.58-135.6-52.6000111
262G39.1Very low44.5Very low58 Ų58137.8 Ų137.860%0.59870%0.699SS**  trans-83.5-159.316500000113
263P39.4Very low45.1Very low128 Ų128137.2 Ų137.283%0.83170%0.696SS**  cis-130152.3-4.338.8-23.3000114.9
264G40.7Very low45.6Very low53 Ų53140.6 Ų140.655%0.54670%0.7SS.*  trans-140.620-175.700000116.9M266 N267G264-M266 PolarHBondContact O-N 3.3Å; G264-N267 PolarHBondContact O-N 2.88Å; G264-N267 VanDerWaalsContact O-N 3.17Å
265L48.4Very low46.2Very low151 Ų151140.2 Ų140.279%0.79169%0.691SS**THydrogen-bonded Turntrans-60.7-4.2-160-76.1165.5000118.1
266M48.5Very low46.4Very low169 Ų169134.5 Ų134.583%0.83367%0.674SS**THydrogen-bonded Turntrans-88.8-23.3175.8-159.268.382.600113.5G264G264-M266 PolarHBondContact O-N 3.3Å
267N45Very low47.3Very low107 Ų107136.9 Ų136.957%0.57268%0.676SS**SBendtrans-93.6-24-168.6-89.1-31.8000115.6G264 R269 R270 R271G264-N267 PolarHBondContact O-N 2.88Å; G264-N267 VanDerWaalsContact O-N 3.17Å; N267-R269 VanDerWaalsContact C-N 3.28Å; N267-R269 PolarHBondContact O-N 3.26Å; N267-R270 PolarHBondContact O-N 3.48Å; N267-R270 VanDerWaalsContact O-N 3.07Å; N267-R271 PolarHBondContact O-N 3.22Å
268Q52.8Low48.1Very low137 Ų137136.7 Ų136.764%0.6467%0.668SS**Hα-helixtrans-56.7-42.5177.4-77.3173.9-27.800111.7R270 R271 T272Q268-R270 PolarHBondContact O-N 3.42Å; Q268-R270 VanDerWaalsContact O-N 3.07Å; Q268-R271 PolarHBondContact O-N 3.29Å; Q268-T272 PolarHBondContact O-N 2.91Å; Q268-T272 PolarHBondContact O-OG1 3.07Å
269R50Low48.6Very low219 Ų219135.1 Ų135.183%0.82666%0.661SS**Hα-helixtrans-64.4-10.5178.7-125.2179.1-173.1-155.2-0.5114.9N267N267-R269 VanDerWaalsContact C-N 3.28Å; N267-R269 PolarHBondContact O-N 3.26Å
270R53.7Low49.1Very low196 Ų196133.6 Ų133.674%0.7465%0.653SS**Hα-helixtrans-96.3-22.9171.3-86.5-175171.9-179.5-1.2113.9N267 Q268N267-R270 PolarHBondContact O-N 3.48Å; N267-R270 VanDerWaalsContact O-N 3.07Å; Q268-R270 PolarHBondContact O-N 3.42Å; Q268-R270 VanDerWaalsContact O-N 3.07Å
271R54.2Low49.6Very low194 Ų194135.9 Ų135.973%0.73266%0.657SS**Hα-helixtrans-74.7-59.9173.1-71-172.5176.1-177.7-1.2109.7N267 Q268 R273 R274 D275N267-R271 PolarHBondContact O-N 3.22Å; Q268-R271 PolarHBondContact O-N 3.29Å; R271-R273 PolarHBondContact O-N 3.27Å; R271-R274 WeakPolarHBondContact O-CA 3.49Å; R271-R274 WeakPolarHBondContact O-CB 3.33Å; R271-R274 PolarHBondContact O-N 2.93Å; R271-D275 PolarHBondContact O-N 3.3Å
272T52.7Low50.1Low78 Ų78137.6 Ų137.648%0.47965%0.652SS.*Hα-helixtrans-51-39-17955.20000113.8Q268 R274 D275 N276Q268-T272 PolarHBondContact O-N 2.91Å; Q268-T272 PolarHBondContact O-OG1 3.07Å; T272-R274 PolarHBondContact O-N 3.06Å; T272-D275 PolarHBondContact O-N 3.09Å; T272-N276 PolarHBondContact O-N 3.12Å; T272-N276 PolarHBondContact O-OD1 3.23Å; T272-N276 VanDerWaalsContact O-OD1 3.09Å
273R54.1Low50.7Low185 Ų185135.6 Ų135.670%0.69863%0.632SS**Hα-helixtrans-64.3-35.8176.7-161.2175.5-166.2165.88.9113.6R271 E277R271-R273 PolarHBondContact O-N 3.27Å; R273-E277 PolarHBondContact O-N 3.41Å
274R50.6Low51.2Low184 Ų184133.8 Ų133.869%0.69462%0.619SS**Hα-helixtrans-76.8-30.6176.5-175.4178.4-71.3175.2-3.7111.7R271 T272 K278R271-R274 WeakPolarHBondContact O-CA 3.49Å; R271-R274 WeakPolarHBondContact O-CB 3.33Å; R271-R274 PolarHBondContact O-N 2.93Å; T272-R274 PolarHBondContact O-N 3.06Å; R274-K278 PolarHBondContact O-N 2.96Å
275D51.8Low51.7Low86 Ų86136.5 Ų136.546%0.4662%0.62SS.*Hα-helixtrans-72.2-44.5176.5-59.8-46.1000111R271 T272 E277 K278 E279R271-D275 PolarHBondContact O-N 3.3Å; T272-D275 PolarHBondContact O-N 3.09Å; D275-E277 PolarHBondContact O-N 3.43Å; D275-K278 CarbonylContact O-C 3.51Å; D275-K278 WeakPolarHBondContact O-CB 3.31Å; D275-K278 PolarHBondContact O-N 3.32Å; D275-E279 WeakPolarHBondContact O-CB 3.19Å; D275-E279 PolarHBondContact O-N 2.84Å
276N51.6Low52.1Low91 Ų91133.4 Ų133.449%0.48761%0.605SS.*Hα-helixtrans-60.3-28.4172.9-76.639.1000113.8T272 H280T272-N276 PolarHBondContact O-N 3.12Å; T272-N276 PolarHBondContact O-OD1 3.23Å; T272-N276 VanDerWaalsContact O-OD1 3.09Å; N276-H280 PolarHBondContact O-N 2.91Å; N276-H280 PolarHBondContact O-ND1 3.36Å; N276-H280 VanDerWaalsContact O-ND1 3.09Å
277E54.5Low52.3Low139 Ų139132.9 Ų132.965%0.6559%0.593SS**Hα-helixtrans-75.8-42.7176.8-138.6173.5144.400111R273 D275 E279 H280 Q281R273-E277 PolarHBondContact O-N 3.41Å; D275-E277 PolarHBondContact O-N 3.43Å; E277-E279 VanDerWaalsContact C-N 3.28Å; E277-E279 PolarHBondContact O-N 2.96Å; E277-H280 PolarHBondContact O-N 3.48Å; E277-Q281 PolarHBondContact O-N 3.32Å; E277-Q281 VanDerWaalsContact O-N 3.11Å
278K54.9Low52.7Low138 Ų138135.7 Ų135.760%0.660%0.601SS**Hα-helixtrans-61.4-36.5167.3-94.5177.9172.9178.50112.1R274 D275 Q281 R282R274-K278 PolarHBondContact O-N 2.96Å; D275-K278 CarbonylContact O-C 3.51Å; D275-K278 WeakPolarHBondContact O-CB 3.31Å; D275-K278 PolarHBondContact O-N 3.32Å; K278-Q281 PolarHBondContact O-N 2.97Å; K278-R282 WeakPolarHBondContact O-CB 3.44Å; K278-R282 WeakPolarHBondContact O-CG 3.21Å; K278-R282 PolarHBondContact O-N 2.92Å
279E52.8Low52.6Low125 Ų125137.6 Ų137.658%0.58460%0.602SS**Hα-helixtrans-69.8-33.9175.6-169.7174.4-164.700111.9D275 E277 R282 G283D275-E279 WeakPolarHBondContact O-CB 3.19Å; D275-E279 PolarHBondContact O-N 2.84Å; E277-E279 VanDerWaalsContact C-N 3.28Å; E277-E279 PolarHBondContact O-N 2.96Å; E279-R282 CarbonylContact O-C 3.58Å; E279-R282 PolarHBondContact O-N 3.42Å; E279-G283 WeakPolarHBondContact O-CA 3.47Å; E279-G283 PolarHBondContact O-N 2.94Å
280H53.4Low52.7Low117 Ų117135.6 Ų135.654%0.54259%0.594SS.*Hα-helixtrans-67.2-40.9171.8-90.672.3000112.6N276 E277 R282 G283 V284N276-H280 PolarHBondContact O-N 2.91Å; N276-H280 PolarHBondContact O-ND1 3.36Å; N276-H280 VanDerWaalsContact O-ND1 3.09Å; E277-H280 PolarHBondContact O-N 3.48Å; H280-R282 PolarHBondContact O-N 3.43Å; H280-G283 WeakPolarHBondContact O-CA 3.44Å; H280-G283 PolarHBondContact O-N 3.42Å; H280-V284 PolarHBondContact O-N 2.88Å; H280-V284 VanDerWaalsContact O-N 3.13Å
281Q54.1Low52.5Low151 Ų151130.7 Ų130.771%0.70658%0.583SS**Hα-helixtrans-65.7-38.2176-139.369.813.900112.1E277 K278 G283E277-Q281 PolarHBondContact O-N 3.32Å; E277-Q281 VanDerWaalsContact O-N 3.11Å; K278-Q281 PolarHBondContact O-N 2.97Å; Q281-G283 VanDerWaalsContact C-N 3.32Å
282R51Low52.4Low183 Ų183131.6 Ų131.669%0.69159%0.586SS**Hα-helixtrans-72.6-26.2169.7-70.1174.8171.2-160.7-5.9112.3K278 E279 H280 N285 N286K278-R282 WeakPolarHBondContact O-CB 3.44Å; K278-R282 WeakPolarHBondContact O-CG 3.21Å; K278-R282 PolarHBondContact O-N 2.92Å; E279-R282 CarbonylContact O-C 3.58Å; E279-R282 PolarHBondContact O-N 3.42Å; H280-R282 PolarHBondContact O-N 3.43Å; R282-N285 WeakPolarHBondContact O-CB 3.42Å; R282-N285 PolarHBondContact O-N 3.15Å; R282-N286 PolarHBondContact O-N 3.29Å
283G51.2Low52.6Low17 Ų17131.8 Ų131.818%0.17559%0.585CS.*Hα-helixtrans-71.9-31.4-175.500000113.5E279 H280 Q281 N285 N286 R287E279-G283 WeakPolarHBondContact O-CA 3.47Å; E279-G283 PolarHBondContact O-N 2.94Å; H280-G283 WeakPolarHBondContact O-CA 3.44Å; H280-G283 PolarHBondContact O-N 3.42Å; Q281-G283 VanDerWaalsContact C-N 3.32Å; G283-N285 VanDerWaalsContact C-N 3.32Å; G283-N286 PolarHBondContact O-N 3.18Å; G283-R287 WeakPolarHBondContact O-CB 3.31Å; G283-R287 VanDerWaalsContact O-CG 3.31Å; G283-R287 WeakPolarHBondContact O-CG 3.29Å; G283-R287 PolarHBondContact O-N 2.88Å
284V50Low52.5Low90 Ų90132.3 Ų132.355%0.54559%0.586SS.*Hα-helixtrans-62.7-42168.5177.90000110.5H280 K288H280-V284 PolarHBondContact O-N 2.88Å; H280-V284 VanDerWaalsContact O-N 3.13Å; V284-K288 WeakPolarHBondContact O-CB 3.38Å; V284-K288 PolarHBondContact O-N 3.14Å
285N50.8Low52.5Low109 Ų109131.3 Ų131.358%0.58359%0.594SS**Hα-helixtrans-71-36.2176.5-67.3-20.6000112.2R282 G283 K288 R289R282-N285 WeakPolarHBondContact O-CB 3.42Å; R282-N285 PolarHBondContact O-N 3.15Å; G283-N285 VanDerWaalsContact C-N 3.32Å; N285-K288 PolarHBondContact O-N 2.87Å; N285-R289 PolarHBondContact O-N 2.79Å
286N55.5Low52.2Low87 Ų87135.1 Ų135.147%0.46561%0.609SS.*Hα-helixtrans-71.8-33.9174.3-90.3-2.6000113.4R282 G283 R289 R290R282-N286 PolarHBondContact O-N 3.29Å; G283-N286 PolarHBondContact O-N 3.18Å; N286-R289 PolarHBondContact O-N 3.06Å; N286-R290 VanDerWaalsContact O-CB 3.32Å; N286-R290 WeakPolarHBondContact O-CB 3.5Å; N286-R290 PolarHBondContact O-N 3.43Å
287R53.8Low51.7Low157 Ų157134.1 Ų134.159%0.59262%0.62SS**Hα-helixtrans-63.8-46.2168.9-75.3174.8-175.8160.95.1110.2G283 R289 R290 D291G283-R287 WeakPolarHBondContact O-CB 3.31Å; G283-R287 VanDerWaalsContact O-CG 3.31Å; G283-R287 WeakPolarHBondContact O-CG 3.29Å; G283-R287 PolarHBondContact O-N 2.88Å; R287-R289 CarbonylContact O-C 3.53Å; R287-R289 PolarHBondContact O-N 3.35Å; R287-R289 VanDerWaalsContact O-N 3.12Å; R287-R290 PolarHBondContact O-N 3.09Å; R287-D291 WeakPolarHBondContact O-CB 3.42Å; R287-D291 PolarHBondContact O-N 3.31Å
288K52.7Low50.8Low167 Ų167131 Ų13173%0.72663%0.626SS**Hα-helixtrans-64.2-17175.8-159.2168.5-175.7176.90114.7V284 N285V284-K288 WeakPolarHBondContact O-CB 3.38Å; V284-K288 PolarHBondContact O-N 3.14Å; N285-K288 PolarHBondContact O-N 2.87Å
289R52.1Low50.1Low177 Ų177132.7 Ų132.767%0.66864%0.64SS**Hα-helixtrans-80.3-57.4161.9-73.9-176.8171.1-164.4-3.6111.2N285 N286 R287 D291 R292 D293N285-R289 PolarHBondContact O-N 2.79Å; N286-R289 PolarHBondContact O-N 3.06Å; R287-R289 CarbonylContact O-C 3.53Å; R287-R289 PolarHBondContact O-N 3.35Å; R287-R289 VanDerWaalsContact O-N 3.12Å; R289-D291 VanDerWaalsContact C-N 3.3Å; R289-D291 PolarHBondContact O-N 2.6Å; R289-R292 WeakPolarHBondContact O-CA 3.43Å; R289-R292 WeakPolarHBondContact O-CB 3.48Å; R289-R292 PolarHBondContact O-N 2.98Å; R289-D293 PolarHBondContact O-N 2.84Å; R289-D293 VanDerWaalsContact O-N 3.13Å; R289-D293 VanDerWaalsContact O-OD2 3.13Å
290R51.1Low49.5Very low177 Ų177132.2 Ų132.267%0.66866%0.658SS**Hα-helixtrans-61.7-28.7-173.3-164.7176.9-68.7179.8-2114.6N286 R287 R294N286-R290 VanDerWaalsContact O-CB 3.32Å; N286-R290 WeakPolarHBondContact O-CB 3.5Å; N286-R290 PolarHBondContact O-N 3.43Å; R287-R290 PolarHBondContact O-N 3.09Å; R290-R294 PolarHBondContact O-N 3.29Å
291D49.6Very low48.8Very low93 Ų93130 Ų13050%0.49767%0.667SS.*THydrogen-bonded Turntrans-75.8-27.6172.2-69.9-47.8000112.4R287 R289 D293 R294R287-D291 WeakPolarHBondContact O-CB 3.42Å; R287-D291 PolarHBondContact O-N 3.31Å; R289-D291 VanDerWaalsContact C-N 3.3Å; R289-D291 PolarHBondContact O-N 2.6Å; D291-D293 VanDerWaalsContact C-N 3.34Å; D291-R294 PolarHBondContact O-N 3.08Å
292R53.3Low48.2Very low212 Ų212129.3 Ų129.380%0.868%0.678SS**G310 helixtrans-70.8-33.7171.8-155-178.4-164.1-169.63.8111.1R289 R294R289-R292 WeakPolarHBondContact O-CA 3.43Å; R289-R292 WeakPolarHBondContact O-CB 3.48Å; R289-R292 PolarHBondContact O-N 2.98Å; R292-R294 PolarHBondContact O-N 3.49Å
293D55.3Low47.6Very low83 Ų83124 Ų12444%0.44468%0.68SS.*G310 helixtrans-76.2-5175.1-57.8-52.6000113.6R289 D291 R327R289-D293 PolarHBondContact O-N 2.84Å; R289-D293 VanDerWaalsContact O-N 3.13Å; R289-D293 VanDerWaalsContact O-OD2 3.13Å; D291-D293 VanDerWaalsContact C-N 3.34Å; D293-R327 IonicContact OD1-CZ 2.7Å; D293-R327 IonicContact OD1-NH1 3.08Å; D293-R327 PolarHBondContact OD1-NH1 3.4Å; D293-R327 IonicContact OD1-NH2 2.65Å; D293-R327 PolarHBondContact OD1-NH2 2.87Å
294R52.2Low47.2Very low195 Ų195128.2 Ų128.274%0.73671%0.708SS**G310 helixtrans-110.7-2.4-173.2-136.8176.4-165175.43.3115.5R290 D291 R292R290-R294 PolarHBondContact O-N 3.29Å; D291-R294 PolarHBondContact O-N 3.08Å; R292-R294 PolarHBondContact O-N 3.49Å
295L51.7Low46.7Very low164 Ų164133 Ų13386%0.85972%0.721SS**SBendtrans-97.60.3178.3-79.6161.7000113.5
296E45.2Very low46.3Very low166 Ų166139.6 Ų139.678%0.77674%0.738SS**SBendtrans-115.640178.1-158.3-177.3-165.700111.7
297G40.2Very low45.3Very low69 Ų69143.2 Ų143.271%0.71176%0.757SS**SBendtrans173.9100.9175.900000115.2
298G36.6Very low44.5Very low75 Ų75147 Ų14777%0.77377%0.771SS**  trans137.468162.100000117.2
299L40.1Very low43.7Very low172 Ų172150.4 Ų150.490%0.90178%0.779SS**  trans-136.8126.7156.5-75.2179.1000110.2
300A39.7Very low43Very low115 Ų115148.6 Ų148.695%0.9578%0.783SS**  trans60.8134.3-178.400000117.4
301G39.1Very low42.5Very low71 Ų71145.7 Ų145.773%0.73279%0.79SS**  cis154.9130.7-15.600000115
302S41Very low42.1Very low136 Ų136144.7 Ų144.795%0.95180%0.801SS**  trans64.6136.6164.1-161.30000118.4
303G38.8Very low41.7Very low71 Ų71144.1 Ų144.173%0.73281%0.808SS**  trans168.732.4175.100000122
304S43.2Very low40.9Very low107 Ų107143.7 Ų143.775%0.74882%0.823SS**  trans27.9107.4156.5-640000122.3
305K39.8Very low40.1Very low191 Ų191138.9 Ų138.983%0.8383%0.834SS**  37.9122.4125-57.1173.8179.8178.90119.8
306R41.2Very low39.3Very low247 Ų247134.7 Ų134.793%0.93283%0.831SS**  177.7150.3116-94.9150.9-172.1-178.32.8114.2
307N34.3Very low38.8Very low162 Ų162131.1 Ų131.187%0.86684%0.838SS**  trans-85.3141.6173.5-68.90.4000112.5
308R37.3Very low38.6Very low238 Ų238131.7 Ų131.790%0.89884%0.844SS**  171.2120.9129.2-92.7166.1-177.4-167.5-0.6106.4
309R36.6Very low38.8Very low237 Ų237135.9 Ų135.989%0.89484%0.844SS**  72.5125.463.4-173.5-169.2-99.8-128.41.1111.6
310D37.4Very low38.6Very low140 Ų140134.6 Ų134.675%0.74983%0.833SS**  trans107.9103.7156.5-135.19.8000117.7
311S40.6Very low38.8Very low115 Ų115138.3 Ų138.380%0.80483%0.827SS**  trans43.4126.7134.8-480000122.3
312G40.5Very low39.1Very low72 Ų72144.2 Ų144.274%0.74284%0.839SS**  trans160.9142.1162.600000113.5
313E44.1Very low38.9Very low201 Ų201141.4 Ų141.494%0.93983%0.831SS**  trans-55.3159.6169.5-64130.587.600112.1
314G39.1Very low38.6Very low74 Ų74141.2 Ų141.276%0.76383%0.829SS**  cis149.5122.14.700000110
315G34.9Very low38.7Very low94 Ų94142 Ų14297%0.96984%0.835SS**  trans70.445.6159.100000119.1
316G35.5Very low39.1Very low76 Ų76139.6 Ų139.678%0.78483%0.831SS**  trans-124.8139.2174.100000113.4
317G34.3Very low39.2Very low91 Ų91136.6 Ų136.694%0.93882%0.819SS**  trans-70.3148.6-175.200000114.8
318G36.2Very low40.1Very low80 Ų80133 Ų13383%0.82580%0.803SS**  trans-169.3145.5179.300000113.9
319Q40.7Very low41Very low164 Ų164129.2 Ų129.277%0.76680%0.796SS**  trans-52.8149.8-176-70.8167.4-97.700116.8
320E37.3Very low42.2Very low144 Ų144122.9 Ų122.967%0.67379%0.785SS**  trans45.998133.6-58.2161.3-135.200119.3
321K42.9Very low43.6Very low193 Ų193120.3 Ų120.384%0.83977%0.765SS**  166.396.3119.5-89.2155.2-173.1164.80112.8
322M45.6Very low45.1Very low196 Ų196119.9 Ų119.997%0.96675%0.749SS**  trans-146.7147.7142.8-74.4-56.4174.500107.3
323G35.9Very low46.9Very low77 Ų77120.2 Ų120.279%0.79473%0.733SS**  cis144.31.92.400000114.7
324G34.1Very low48.7Very low67 Ų67114.4 Ų114.469%0.69171%0.706SS**  trans-178.7165.2177.900000114.7
325S44.8Very low50.8Low124 Ų124111.9 Ų111.987%0.86767%0.674SS**  trans59.555.3168.2-170.20000117.6
326N47.3Very low53.3Low139 Ų139107.5 Ų107.574%0.74363%0.629SS**  trans-126.533.2168.1-140.322000115.3V328N326-V328 PolarHBondContact O-N 3.48Å; N326-V328 WeakPolarHBondContact OD1-CG2 3.38Å
327R43.4Very low55.6Low185 Ų185110.2 Ų110.270%0.69862%0.619SS**  trans-71.780.6155.2-81.6-168.5174.5-171.2-3108.4D293 E329D293-R327 IonicContact OD1-CZ 2.7Å; D293-R327 IonicContact OD1-NH1 3.08Å; D293-R327 PolarHBondContact OD1-NH1 3.4Å; D293-R327 IonicContact OD1-NH2 2.65Å; D293-R327 PolarHBondContact OD1-NH2 2.87Å; R327-E329 VanDerWaalsContact C-N 3.33Å; R327-E329 PolarHBondContact O-N 3.43Å
328V52.7Low58.1Low87 Ų87112.2 Ų112.253%0.52760%0.602SS.*  trans-69.994.2171.3-175.20000107.6N326N326-V328 PolarHBondContact O-N 3.48Å; N326-V328 WeakPolarHBondContact OD1-CG2 3.38Å
329E56.6Low60.4Low158 Ų158109.3 Ų109.374%0.73857%0.567SS**  trans-51.6125.2165.6-168.566-150.100107.4R327 R331R327-E329 VanDerWaalsContact C-N 3.33Å; R327-E329 PolarHBondContact O-N 3.43Å; E329-R331 PolarHBondContact O-N 3.43Å
330P62.9Low62.5Low103 Ų103104 Ų10467%0.66954%0.543SS*.  trans-58.7112.7-16620.8-32.9000110.4K332P330-K332 PolarHBondContact O-N 2.67Å
331R66.8Low64.5Low87 Ų87103.1 Ų103.133%0.32854%0.541SS..  trans-53.1128.6-176.7-63.7-177.7-177.2159.7-3.1108.9E329 L333 M353 E356E329-R331 PolarHBondContact O-N 3.43Å; R331-L333 PolarHBondContact O-N 2.87Å; R331-M353 HydrophobicContact CB-CE 3.84Å; R331-M353 HydrophobicContact CG-CE 4.39Å; R331-E356 IonicContact CZ-OE1 3.71Å; R331-E356 IonicContact CZ-OE2 2.74Å; R331-E356 IonicContact NH1-OE1 2.63Å; R331-E356 PolarHBondContact NH1-OE1 3.33Å; R331-E356 IonicContact NH1-OE2 2.68Å; R331-E356 PolarHBondContact NH1-OE2 3.12Å
332K72.6Confident66.3Low106 Ų10699.1 Ų99.146%0.46153%0.528SS..EExtended strand (participates in β ladder)trans-62.2125.7173.6-62177.9-179.1-176.50107.3P330 E334 S351 Y352P330-K332 PolarHBondContact O-N 2.67Å; K332-E334 PolarHBondContact O-N 2.73Å; K332-S351 WeakPolarHBondContact CB-O 3.35Å; K332-S351 PolarHBondContact N-O 2.85Å; K332-Y352 HydrophobicContact CB-CD1 4.07Å; K332-Y352 HydrophobicContact CB-CE1 4.16Å; K332-Y352 HydrophobicContact CD-CD1 4.23Å; K332-Y352 HydrophobicContact CD-CE1 3.57Å; K332-Y352 HydrophobicContact CD-CE2 4.32Å; K332-Y352 PolarHBondContact NZ-OH 3.42Å
333L77Confident68Low78 Ų7891.9 Ų91.941%0.40850%0.497SS..EExtended strand (participates in β ladder)trans-78.862179.9-56.594.1000110.4R331 Q385 V389R331-L333 PolarHBondContact O-N 2.87Å; L333-Q385 HydrophobicContact CD2-CB 4.23Å; L333-V389 HydrophobicContact CB-CG1 4.44Å; L333-V389 HydrophobicContact CB-CG2 3.45Å; L333-V389 VanDerWaalsContact CB-CG2 3.45Å; L333-V389 HydrophobicContact CD2-CG2 4.06Å; L333-V389 HydrophobicContact CG-CG2 4.39Å; L333-V389 WeakPolarHBondContact O-CG1 3.38Å; L333-V389 WeakPolarHBondContact O-CG2 3.31Å
334E82.1Confident70.5Confident80 Ų8088.8 Ų88.837%0.37446%0.463SS..EExtended strand (participates in β ladder)trans-142.1146.1178.5-62.8-176147.400107.9K332 Y352 M353 K392K332-E334 PolarHBondContact O-N 2.73Å; E334-Y352 HydrophobicContact CB-CD1 4.12Å; E334-Y352 HydrophobicContact CB-CE1 4.45Å; E334-M353 PolarHBondContact O-N 2.74Å; E334-K392 IonicContact OE1-NZ 3.39Å; E334-K392 PolarHBondContact OE1-NZ 3.07Å
335L83.9Confident72.9Confident20 Ų2090.3 Ų90.311%0.10547%0.469CS..EExtended strand (participates in β ladder)trans-63.1136.1179.2179.562.5000110.9K337 Y339 L340 F357 F376 I401L335-K337 PolarHBondContact O-N 2.97Å; L335-Y339 HydrophobicContact CD1-CD1 4.18Å; L335-L340 HydrophobicContact CD2-CB 4.36Å; L335-L340 HydrophobicContact CD2-CD1 4.29Å; L335-F357 HydrophobicContact CB-CD2 3.85Å; L335-F357 HydrophobicContact CB-CE2 4.01Å; L335-F357 HydrophobicContact CB-CG 4.16Å; L335-F357 HydrophobicContact CB-CZ 4.45Å; L335-F357 HydrophobicContact CD1-CB 3.93Å; L335-F357 HydrophobicContact CD1-CD1 4.41Å; L335-F357 HydrophobicContact CD1-CD2 4.48Å; L335-F357 HydrophobicContact CD1-CG 4.02Å; L335-F376 HydrophobicContact CD1-CD1 4.43Å; L335-F376 HydrophobicContact CD1-CE1 3.77Å; L335-F376 HydrophobicContact CD2-CE1 3.76Å; L335-F376 HydrophobicContact CD2-CZ 4.2Å; L335-F376 HydrophobicContact CG-CE1 4.44Å; L335-I401 HydrophobicContact CD2-CG2 4.3Å
336C86.5Confident74.7Confident2 Ų290.8 Ų90.81%0.01446%0.455CS..  trans-69.8116.3172.9-178.30000110.5F338 Y339 L340 C344 M353 H354C336-F338 PolarHBondContact O-N 2.82Å; C336-Y339 PolarHBondContact O-N 2.86Å; C336-L340 PolarHBondContact O-N 3.3Å; C336-L340 VanDerWaalsContact O-N 3.16Å; C336-C344 PolarHBondContact SG-SG 3.38Å; C336-M353 PolarHBondContact N-O 3.1Å; C336-H354 VanDerWaalsContact CB-CD2 3.41Å; C336-H354 WeakPolarHBondContact CB-CD2 3.32Å; C336-H354 WeakPolarHBondContact CB-NE2 3.15Å
337K84.3Confident76.2Confident134 Ų13493.1 Ų93.158%0.58345%0.454SS*.Hα-helixtrans-55.7-35.2176.7-176.3170.9-179.8170.80112.4L335 M341L335-K337 PolarHBondContact O-N 2.97Å; K337-M341 WeakPolarHBondContact O-CG 3.46Å
338F86.1Confident77.9Confident132 Ų13290.7 Ų90.758%0.57946%0.455SS*.Hα-helixtrans-75-22177.4-57.6-79.6000113.5C336 D342 C343 C344C336-F338 PolarHBondContact O-N 2.82Å; F338-D342 CarbonylContact O-C 3.52Å; F338-D342 PolarHBondContact O-N 3.38Å; F338-C343 CarbonylContact O-C 3.56Å; F338-C343 PolarHBondContact O-N 3.33Å; F338-C344 HydrophobicContact CB-CB 3.91Å; F338-C344 PolarHBondContact O-N 3.48Å
339Y86Confident79.3Confident19 Ų1995.3 Ų95.38%0.07547%0.468CS..Hα-helixtrans-81.5-31.5175.4178-103.4000111.7L335 C336 M341 D342 H354 K355 L375L335-Y339 HydrophobicContact CD1-CD1 4.18Å; C336-Y339 PolarHBondContact O-N 2.86Å; Y339-M341 PolarHBondContact O-N 2.86Å; Y339-D342 PolarHBondContact O-N 3.38Å; Y339-D342 VanDerWaalsContact O-N 3.09Å; Y339-H354 HydrophobicContact CD1-CB 3.95Å; Y339-H354 HydrophobicContact CD2-CB 3.82Å; Y339-H354 AromaticContact CD2-CG 3.72Å; Y339-H354 AromaticContact CD2-ND1 3.8Å; Y339-H354 HydrophobicContact CE1-CB 4.17Å; Y339-H354 HydrophobicContact CE2-CB 4.06Å; Y339-H354 HydrophobicContact CG-CB 3.78Å; Y339-H354 AromaticContact CG-CD2 3.84Å; Y339-H354 AromaticContact CG-CG 3.68Å; Y339-K355 HydrophobicContact CE2-CG 4.37Å; Y339-K355 WeakPolarHBondContact OH-CE 3.25Å; Y339-K355 WeakPolarHBondContact OH-CG 3.32Å; Y339-L375 HydrophobicContact CE1-CB 4.38Å; Y339-L375 WeakPolarHBondContact CE1-O 3.39Å; Y339-L375 PolarHBondContact OH-O 2.75Å
340L83.9Confident80.7Confident54 Ų5488.2 Ų88.228%0.28344%0.435SS..Hα-helixtrans-61.8-23.2169.4-177.667.7000112.9L335 C336 F376 I401L335-L340 HydrophobicContact CD2-CB 4.36Å; L335-L340 HydrophobicContact CD2-CD1 4.29Å; C336-L340 PolarHBondContact O-N 3.3Å; C336-L340 VanDerWaalsContact O-N 3.16Å; L340-F376 HydrophobicContact CD1-CZ 4.03Å; L340-I401 HydrophobicContact CD2-CB 4.16Å; L340-I401 HydrophobicContact CD2-CG1 3.9Å; L340-I401 HydrophobicContact CD2-CG2 3.67Å
341M79.2Confident81.7Confident124 Ų12486 Ų8661%0.61142%0.423SS*.THydrogen-bonded Turntrans-103.57.7176.5-57.1-62.2-56.400112.5K337 Y339 C343K337-M341 WeakPolarHBondContact O-CG 3.46Å; Y339-M341 PolarHBondContact O-N 2.86Å; M341-C343 HydrophobicContact CB-CB 4.49Å; M341-C343 PolarHBondContact O-N 3.24Å; M341-C343 PolarHBondContact O-SG 3.39Å
342D81.7Confident82.4Confident109 Ų10985.9 Ų85.958%0.58342%0.423SS*.SBendtrans57.2-18.6-168.7-70.4-58.4000117.7F338 Y339 C344F338-D342 CarbonylContact O-C 3.52Å; F338-D342 PolarHBondContact O-N 3.38Å; Y339-D342 PolarHBondContact O-N 3.38Å; Y339-D342 VanDerWaalsContact O-N 3.09Å; D342-C344 PolarHBondContact O-N 3.3Å
343C81.3Confident82.9Confident44 Ų4481.5 Ų81.530%0.29740%0.404SS..  trans-58.520.5175.9-57.30000117.4F338 M341 A345 E891F338-C343 CarbonylContact O-C 3.56Å; F338-C343 PolarHBondContact O-N 3.33Å; M341-C343 HydrophobicContact CB-CB 4.49Å; M341-C343 PolarHBondContact O-N 3.24Å; M341-C343 PolarHBondContact O-SG 3.39Å; C343-A345 PolarHBondContact O-N 2.89Å; C343-E891 WeakPolarHBondContact CA-OE2 3.41Å; C343-E891 WeakPolarHBondContact CB-OE1 3.49Å; C343-E891 PolarHBondContact SG-OE1 2.9Å
344C86.9Confident83.4Confident13 Ų1379 Ų799%0.08839%0.39CS..  trans-86.782.2-172.3-158.80000114.4C336 F338 D342 K346 R347 H354C336-C344 PolarHBondContact SG-SG 3.38Å; F338-C344 HydrophobicContact CB-CB 3.91Å; F338-C344 PolarHBondContact O-N 3.48Å; D342-C344 PolarHBondContact O-N 3.3Å; C344-K346 PolarHBondContact O-N 3.39Å; C344-R347 PolarHBondContact O-N 3.32Å; C344-H354 PolarHBondContact SG-CE1 3.34Å; C344-H354 PolarHBondContact SG-NE2 3.28Å
345A84.9Confident83.4Confident99 Ų9982 Ų8282%0.81840%0.402SS*.THydrogen-bonded Turntrans-49.2-21.3173.200000115.6C343C343-A345 PolarHBondContact O-N 2.89Å
346K82.1Confident83.3Confident134 Ų13485.2 Ų85.258%0.58342%0.417SS*.THydrogen-bonded Turntrans-83.5-17.5179.7-67.6-172.3177.6-178.70114.8C344 D348 K349 C350C344-K346 PolarHBondContact O-N 3.39Å; K346-D348 PolarHBondContact O-N 2.89Å; K346-K349 WeakPolarHBondContact O-CA 3.14Å; K346-K349 WeakPolarHBondContact O-CB 3.41Å; K346-K349 PolarHBondContact O-N 2.71Å; K346-C350 HydrophobicContact CB-CB 3.98Å
347R80.2Confident83.2Confident187 Ų18785.4 Ų85.471%0.70642%0.417SS*.G310 helixtrans37.9-123.3-176.8-58.8-174.5-174.9172.42.7111.6C344 K349 C350 H354C344-R347 PolarHBondContact O-N 3.32Å; R347-K349 PolarHBondContact O-N 3.22Å; R347-C350 WeakPolarHBondContact O-CB 3.32Å; R347-C350 PolarHBondContact O-N 3.45Å; R347-H354 PolarHBondContact O-CE1 3.01Å; R347-H354 PolarHBondContact O-ND1 3.28Å
348D78.2Confident83.2Confident135 Ų13579 Ų7972%0.72239%0.389SS*.G310 helixtrans-72.2-11-173.6-40.7-73.2000114.4K346 C350K346-D348 PolarHBondContact O-N 2.89Å; D348-C350 VanDerWaalsContact C-N 3.32Å
349K81.9Confident83.3Confident183 Ų18372.8 Ų72.880%0.79636%0.362SS*.G310 helixtrans-89.76.3172.4-53.4178-170.5-70.20112.3K346 R347K346-K349 WeakPolarHBondContact O-CA 3.14Å; K346-K349 WeakPolarHBondContact O-CB 3.41Å; K346-K349 PolarHBondContact O-N 2.71Å; R347-K349 PolarHBondContact O-N 3.22Å
350C86.5Confident83.2Confident9 Ų973 Ų736%0.06136%0.363CS..  trans-69.3140.2178.8-164.70000112K346 R347 D348 Y352 H354K346-C350 HydrophobicContact CB-CB 3.98Å; R347-C350 WeakPolarHBondContact O-CB 3.32Å; R347-C350 PolarHBondContact O-N 3.45Å; D348-C350 VanDerWaalsContact C-N 3.32Å; C350-Y352 PolarHBondContact O-N 3.28Å; C350-H354 WeakPolarHBondContact CB-NE2 3.37Å; C350-H354 PolarHBondContact SG-NE2 3.46Å
351S83.1Confident83.3Confident58 Ų5873.3 Ų73.341%0.40636%0.361SS..SBendtrans-78.35.1175.7-42.60000113.6K332K332-S351 WeakPolarHBondContact CB-O 3.35Å; K332-S351 PolarHBondContact N-O 2.85Å
352Y82.4Confident83.7Confident84 Ų8469.9 Ų69.933%0.32934%0.342SS..EExtended strand (participates in β ladder)trans-132.9157.3-175.7-67.4-87.8000109.3K332 E334 C350K332-Y352 HydrophobicContact CB-CD1 4.07Å; K332-Y352 HydrophobicContact CB-CE1 4.16Å; K332-Y352 HydrophobicContact CD-CD1 4.23Å; K332-Y352 HydrophobicContact CD-CE1 3.57Å; K332-Y352 HydrophobicContact CD-CE2 4.32Å; K332-Y352 PolarHBondContact NZ-OH 3.42Å; E334-Y352 HydrophobicContact CB-CD1 4.12Å; E334-Y352 HydrophobicContact CB-CE1 4.45Å; C350-Y352 PolarHBondContact O-N 3.28Å
353M83.3Confident83.9Confident13 Ų1364.8 Ų64.86%0.06431%0.314CS..EExtended strand (participates in β ladder)trans-71.5138.3-176.1-56.3-85.480.700112R331 E334 C336 E356 F357R331-M353 HydrophobicContact CB-CE 3.84Å; R331-M353 HydrophobicContact CG-CE 4.39Å; E334-M353 PolarHBondContact O-N 2.74Å; C336-M353 PolarHBondContact N-O 3.1Å; M353-E356 WeakPolarHBondContact CE-OE2 3.4Å; M353-E356 HydrophobicContact SD-CB 4.21Å; M353-F357 HydrophobicContact CB-CB 3.97Å; M353-F357 HydrophobicContact CB-CD2 4.26Å
354H86.4Confident84Confident25 Ų2562.8 Ų62.812%0.11630%0.301CS..SBendtrans-108.7-120.6172.1-68.9-168.8000109.7C336 Y339 C344 R347 C350 E356 F357C336-H354 VanDerWaalsContact CB-CD2 3.41Å; C336-H354 WeakPolarHBondContact CB-CD2 3.32Å; C336-H354 WeakPolarHBondContact CB-NE2 3.15Å; Y339-H354 HydrophobicContact CD1-CB 3.95Å; Y339-H354 HydrophobicContact CD2-CB 3.82Å; Y339-H354 AromaticContact CD2-CG 3.72Å; Y339-H354 AromaticContact CD2-ND1 3.8Å; Y339-H354 HydrophobicContact CE1-CB 4.17Å; Y339-H354 HydrophobicContact CE2-CB 4.06Å; Y339-H354 HydrophobicContact CG-CB 3.78Å; Y339-H354 AromaticContact CG-CD2 3.84Å; Y339-H354 AromaticContact CG-CG 3.68Å; C344-H354 PolarHBondContact SG-CE1 3.34Å; C344-H354 PolarHBondContact SG-NE2 3.28Å; R347-H354 PolarHBondContact O-CE1 3.01Å; R347-H354 PolarHBondContact O-ND1 3.28Å; C350-H354 WeakPolarHBondContact CB-NE2 3.37Å; C350-H354 PolarHBondContact SG-NE2 3.46Å; H354-E356 PolarHBondContact O-N 3.43Å; H354-F357 WeakPolarHBondContact O-CB 3.4Å; H354-F357 PolarHBondContact O-N 2.91Å
355K83.5Confident83.8Confident144 Ų14464.7 Ų64.763%0.62632%0.322SS*.THydrogen-bonded Turntrans-53.4-16.3173.9-68.2-172179.5-1500115Y339 F357 Y377Y339-K355 HydrophobicContact CE2-CG 4.37Å; Y339-K355 WeakPolarHBondContact OH-CE 3.25Å; Y339-K355 WeakPolarHBondContact OH-CG 3.32Å; K355-F357 VanDerWaalsContact C-N 3.34Å; K355-Y377 WeakPolarHBondContact O-CA 3.3Å; K355-Y377 VanDerWaalsContact O-CB 3.32Å; K355-Y377 WeakPolarHBondContact O-CB 3.3Å; K355-Y377 PolarHBondContact O-N 2.96Å
356E80.3Confident83.5Confident88 Ų8863 Ų6341%0.41130%0.299SS..THydrogen-bonded Turntrans-77.5-13.7175.2-62.1173.1175.400113.7R331 M353 H354R331-E356 IonicContact CZ-OE1 3.71Å; R331-E356 IonicContact CZ-OE2 2.74Å; R331-E356 IonicContact NH1-OE1 2.63Å; R331-E356 PolarHBondContact NH1-OE1 3.33Å; R331-E356 IonicContact NH1-OE2 2.68Å; R331-E356 PolarHBondContact NH1-OE2 3.12Å; M353-E356 WeakPolarHBondContact CE-OE2 3.4Å; M353-E356 HydrophobicContact SD-CB 4.21Å; H354-E356 PolarHBondContact O-N 3.43Å
357F84.9Confident83.3Confident6 Ų664 Ų643%0.02631%0.31CS..SBendtrans-74.1130178.8-171.5-88.1000110.5L335 M353 H354 K355 C359 F376 Y377 V389 L390 H393L335-F357 HydrophobicContact CB-CD2 3.85Å; L335-F357 HydrophobicContact CB-CE2 4.01Å; L335-F357 HydrophobicContact CB-CG 4.16Å; L335-F357 HydrophobicContact CB-CZ 4.45Å; L335-F357 HydrophobicContact CD1-CB 3.93Å; L335-F357 HydrophobicContact CD1-CD1 4.41Å; L335-F357 HydrophobicContact CD1-CD2 4.48Å; L335-F357 HydrophobicContact CD1-CG 4.02Å; M353-F357 HydrophobicContact CB-CB 3.97Å; M353-F357 HydrophobicContact CB-CD2 4.26Å; H354-F357 WeakPolarHBondContact O-CB 3.4Å; H354-F357 PolarHBondContact O-N 2.91Å; K355-F357 VanDerWaalsContact C-N 3.34Å; F357-C359 PolarHBondContact O-N 3.34Å; F357-F376 HydrophobicContact CB-CD1 4.26Å; F357-F376 AromaticContact CD1-CD1 3.85Å; F357-F376 HydrophobicContact CD1-CD1 3.85Å; F357-F376 HydrophobicContact CD1-CE1 4.15Å; F357-F376 HydrophobicContact CG-CD1 4.5Å; F357-F376 WeakPolarHBondContact O-CB 3.49Å; F357-Y377 PolarHBondContact O-N 2.98Å; F357-V389 HydrophobicContact CD2-CG1 4.37Å; F357-V389 HydrophobicContact CE2-CG1 3.76Å; F357-L390 HydrophobicContact CE1-CD1 4.16Å; F357-L390 HydrophobicContact CZ-CD1 4.37Å; F357-H393 HydrophobicContact CZ-CB 3.94Å; F357-H393 AromaticContact CZ-CD2 3.8Å; F357-H393 AromaticContact CZ-CG 3.71Å
358P85.1Confident83.5Confident0 Ų056.3 Ų56.30%029%0.285CS..BIsolated β-bridgetrans-64.9131.4-173.624.5-35.2000113.7K360 Y363 L382 L390P358-K360 PolarHBondContact O-N 3.45Å; P358-Y363 HydrophobicContact CB-CD2 3.67Å; P358-Y363 HydrophobicContact CB-CE2 3.84Å; P358-L382 HydrophobicContact CB-CD1 3.77Å; P358-L382 HydrophobicContact CB-CD2 3.8Å; P358-L382 HydrophobicContact CB-CG 4.47Å; P358-L382 HydrophobicContact CG-CD2 4.09Å; P358-L390 HydrophobicContact CB-CD2 4.46Å; P358-L390 HydrophobicContact CG-CB 3.9Å; P358-L390 HydrophobicContact CG-CD1 4.35Å; P358-L390 HydrophobicContact CG-CD2 4.48Å; P358-L390 HydrophobicContact CG-CG 4.46Å
359C87.3Confident83.6Confident1 Ų160.1 Ų60.11%0.00729%0.291CS..PPolyproline II helixtrans-65.6120.3175.3-177.90000112F357 Y361 Y363 C368 F376 Y377 H378F357-C359 PolarHBondContact O-N 3.34Å; C359-Y361 VanDerWaalsContact C-N 3.31Å; C359-Y361 PolarHBondContact O-N 3.49Å; C359-Y363 WeakPolarHBondContact O-CD2 3.2Å; C359-Y363 PolarHBondContact O-N 3.45Å; C359-Y363 VanDerWaalsContact O-N 3.11Å; C359-C368 VanDerWaalsContact SG-SG 3.64Å; C359-F376 HydrophobicContact CB-CB 3.69Å; C359-Y377 WeakPolarHBondContact CB-O 3.25Å; C359-Y377 PolarHBondContact N-O 2.89Å; C359-H378 WeakPolarHBondContact CB-CD2 2.99Å; C359-H378 WeakPolarHBondContact CB-NE2 3.49Å; C359-H378 PolarHBondContact SG-NE2 2.74Å
360K85.1Confident83.4Confident22 Ų2253.5 Ų53.510%0.09627%0.27CS..Hα-helixtrans-58.5-37.1-179.2-173.6179.5178.2-1750113.8P358 L364 L390 M394 F405P358-K360 PolarHBondContact O-N 3.45Å; K360-L364 WeakPolarHBondContact O-CB 3.34Å; K360-L364 WeakPolarHBondContact O-CD1 3.1Å; K360-L364 PolarHBondContact O-N 2.78Å; K360-L390 HydrophobicContact CB-CD1 4.17Å; K360-L390 HydrophobicContact CG-CD1 4.42Å; K360-M394 HydrophobicContact CD-CG 4.44Å; K360-M394 HydrophobicContact CG-SD 4.38Å; K360-F405 HydrophobicContact CD-CD2 3.94Å; K360-F405 HydrophobicContact CD-CE2 4.08Å; K360-F405 HydrophobicContact CD-CG 4.23Å; K360-F405 VanDerWaalsContact CE-CD2 3.4Å; K360-F405 VanDerWaalsContact CE-CE1 3.49Å; K360-F405 HydrophobicContact CG-CD2 4.39Å; K360-F405 HydrophobicContact CG-CE2 4.07Å; K360-F405 HydrophobicContact CG-CZ 4.45Å; K360-F405 VanDerWaalsContact NZ-CB 3.27Å
361Y85.4Confident83.1Confident62 Ų6255 Ų5524%0.24329%0.286CS..Hα-helixtrans-72.5-58.4-178.6-66.8-93.4000110.3C359 Y363 L364 G365 M366 Y369 F405C359-Y361 VanDerWaalsContact C-N 3.31Å; C359-Y361 PolarHBondContact O-N 3.49Å; Y361-Y363 PolarHBondContact O-N 3.19Å; Y361-L364 PolarHBondContact O-N 3.26Å; Y361-L364 VanDerWaalsContact O-N 3.09Å; Y361-G365 PolarHBondContact O-N 2.82Å; Y361-M366 CarbonylContact C-O 3.59Å; Y361-M366 HydrophobicContact CD1-CE 3.54Å; Y361-M366 HydrophobicContact CE1-CE 3.77Å; Y361-M366 PolarHBondContact O-N 2.88Å; Y361-Y369 HydrophobicContact CD1-CE2 4.38Å; Y361-Y369 HydrophobicContact CE1-CD2 4.29Å; Y361-Y369 AromaticContact CE1-CE2 3.94Å; Y361-Y369 HydrophobicContact CE1-CE2 3.94Å; Y361-F405 HydrophobicContact CE1-CD2 4.06Å; Y361-F405 HydrophobicContact CE1-CE2 4.35Å; Y361-F405 AromaticContact CZ-CD2 3.99Å
362Y86.6Confident82.7Confident52 Ų5259.8 Ų59.820%0.20431%0.308CS..Hα-helixtrans-54.3-46.7-178.2-176.1-92.9000113.1G365 H378 G379 R420 L424Y362-G365 PolarHBondContact O-N 3.47Å; Y362-H378 WeakPolarHBondContact CB-CD2 3.17Å; Y362-H378 WeakPolarHBondContact CB-NE2 3.49Å; Y362-H378 HydrophobicContact CD2-CB 4.29Å; Y362-H378 AromaticContact CD2-CD2 3.7Å; Y362-H378 AromaticContact CD2-CG 3.86Å; Y362-H378 HydrophobicContact CE1-CB 4.49Å; Y362-H378 HydrophobicContact CE2-CB 4.17Å; Y362-H378 HydrophobicContact CG-CB 4.48Å; Y362-H378 AromaticContact CG-CD2 3.45Å; Y362-H378 VanDerWaalsContact CG-CD2 3.45Å; Y362-H378 AromaticContact CG-NE2 3.9Å; Y362-G379 PolarHBondContact OH-N 3.43Å; Y362-R420 WeakPolarHBondContact O-CG 3.4Å; Y362-R420 PolarHBondContact O-NE 3.1Å; Y362-L424 HydrophobicContact CE1-CD1 3.88Å; Y362-L424 HydrophobicContact CE1-CD2 3.98Å; Y362-L424 WeakPolarHBondContact OH-CD2 3.16Å
363Y85.9Confident82.4Confident1 Ų162.9 Ų62.90%0.00433%0.33CS..Hα-helixtrans-78-15-178.5-74.4-68.7000114.6P358 C359 Y361 G365 Y377 E380 L382 M417 L424P358-Y363 HydrophobicContact CB-CD2 3.67Å; P358-Y363 HydrophobicContact CB-CE2 3.84Å; C359-Y363 WeakPolarHBondContact O-CD2 3.2Å; C359-Y363 PolarHBondContact O-N 3.45Å; C359-Y363 VanDerWaalsContact O-N 3.11Å; Y361-Y363 PolarHBondContact O-N 3.19Å; Y363-G365 VanDerWaalsContact C-N 3.32Å; Y363-Y377 HydrophobicContact CE2-CD1 4.27Å; Y363-Y377 WeakPolarHBondContact CE2-O 3.09Å; Y363-Y377 VanDerWaalsContact OH-CD1 3.26Å; Y363-Y377 WeakPolarHBondContact OH-CD1 3.4Å; Y363-Y377 WeakPolarHBondContact OH-CE1 3.39Å; Y363-E380 WeakPolarHBondContact CE1-O 3.34Å; Y363-E380 PolarHBondContact OH-O 2.97Å; Y363-L382 HydrophobicContact CD1-CB 4.14Å; Y363-L382 HydrophobicContact CD2-CD1 4.4Å; Y363-L382 HydrophobicContact CE1-CB 3.86Å; Y363-L382 HydrophobicContact CE1-CD1 4.03Å; Y363-L382 HydrophobicContact CE1-CG 4.43Å; Y363-L382 HydrophobicContact CE2-CD1 3.84Å; Y363-M417 VanDerWaalsContact O-CA 3.29Å; Y363-M417 WeakPolarHBondContact O-CA 3.44Å; Y363-L424 HydrophobicContact CD1-CD1 3.93Å; Y363-L424 HydrophobicContact CE1-CD1 3.49Å; Y363-L424 VanDerWaalsContact CE1-CD1 3.49Å
364L84.6Confident82.4Confident3 Ų363.4 Ų63.42%0.01633%0.334CS..THydrogen-bonded Turntrans-90.74167.8-89.363.1000112.6K360 Y361 M366 L390 M394 F405 A413 Q416K360-L364 WeakPolarHBondContact O-CB 3.34Å; K360-L364 WeakPolarHBondContact O-CD1 3.1Å; K360-L364 PolarHBondContact O-N 2.78Å; Y361-L364 PolarHBondContact O-N 3.26Å; Y361-L364 VanDerWaalsContact O-N 3.09Å; L364-M366 VanDerWaalsContact C-N 3.32Å; L364-L390 HydrophobicContact CD1-CD2 4.06Å; L364-M394 HydrophobicContact CD1-SD 4.09Å; L364-M394 HydrophobicContact CD2-CE 3.8Å; L364-M394 HydrophobicContact CD2-SD 3.78Å; L364-F405 HydrophobicContact CD2-CE1 4.4Å; L364-F405 HydrophobicContact CD2-CZ 3.66Å; L364-A413 HydrophobicContact CD2-CB 4.21Å; L364-Q416 HydrophobicContact CB-CB 4.5Å; L364-Q416 HydrophobicContact CG-CB 4.46Å; L364-Q416 WeakPolarHBondContact O-CB 3.18Å
365G81.4Confident82.2Confident52 Ų5265.3 Ų65.354%0.53635%0.345SS..THydrogen-bonded Turntrans68.232.3-178.900000113Y361 Y362 Y363Y361-G365 PolarHBondContact O-N 2.82Å; Y362-G365 PolarHBondContact O-N 3.47Å; Y363-G365 VanDerWaalsContact C-N 3.32Å
366M79.1Confident82.2Confident65 Ų6561 Ų6132%0.3233%0.327SS..SBendtrans-107.9146164-50.1-162.9-3600108.7Y361 L364 C368 F405Y361-M366 CarbonylContact C-O 3.59Å; Y361-M366 HydrophobicContact CD1-CE 3.54Å; Y361-M366 HydrophobicContact CE1-CE 3.77Å; Y361-M366 PolarHBondContact O-N 2.88Å; L364-M366 VanDerWaalsContact C-N 3.32Å; M366-C368 PolarHBondContact O-N 3.18Å; M366-F405 HydrophobicContact CE-CD2 4.3Å; M366-F405 HydrophobicContact CE-CE2 3.6Å; M366-F405 HydrophobicContact CE-CZ 4.28Å
367D78.5Confident82.3Confident153 Ų15360.4 Ų60.482%0.81832%0.321SS*.  trans-62.2131.8178.4-52.8-60.8000110.3
368C84.3Confident82.1Confident27 Ų2761.9 Ų61.918%0.18233%0.328CS..  trans-83.9122.7176.9-1730000109.3C359 M366 A370 G371 C374C359-C368 VanDerWaalsContact SG-SG 3.64Å; M366-C368 PolarHBondContact O-N 3.18Å; C368-A370 PolarHBondContact O-N 3.44Å; C368-G371 PolarHBondContact O-N 3Å; C368-C374 VanDerWaalsContact SG-SG 3.65Å
369Y79.4Confident81.7Confident215 Ų21562.9 Ų62.984%0.84334%0.338SS*.THydrogen-bonded Turntrans-56.3-22.4177.9-62.4-75.2000114.4Y361Y361-Y369 HydrophobicContact CD1-CE2 4.38Å; Y361-Y369 HydrophobicContact CE1-CD2 4.29Å; Y361-Y369 AromaticContact CE1-CE2 3.94Å; Y361-Y369 HydrophobicContact CE1-CE2 3.94Å
370A78.1Confident81.3Confident44 Ų4466.7 Ų66.736%0.36436%0.356SS..THydrogen-bonded Turntrans-92.2-1.2178.600000114.3C368 D372 D373 C374C368-A370 PolarHBondContact O-N 3.44Å; A370-D372 PolarHBondContact O-N 3.29Å; A370-D373 WeakPolarHBondContact O-CA 3.28Å; A370-D373 PolarHBondContact O-N 3.41Å; A370-C374 HydrophobicContact CB-CB 4.06Å
371G80.1Confident80.8Confident39 Ų3966.7 Ų66.740%0.40236%0.358SS..THydrogen-bonded Turntrans54.6-127178.800000112.9C368 H378C368-G371 PolarHBondContact O-N 3Å; G371-H378 PolarHBondContact O-CE1 2.99Å; G371-H378 PolarHBondContact O-ND1 3.05Å
372D74.8Confident80.5Confident159 Ų15963.9 Ų63.985%0.8535%0.347SS*.THydrogen-bonded Turntrans-81.7-18176.1-63.2-45.6000113.2A370 C374A370-D372 PolarHBondContact O-N 3.29Å; D372-C374 PolarHBondContact O-N 3.32Å; D372-C374 VanDerWaalsContact O-N 3.16Å
373D76.6Confident80.2Confident150 Ų15064 Ų6480%0.80236%0.355SS*.SBendtrans-82.121179.1-63.5-52.9000113.4A370A370-D373 WeakPolarHBondContact O-CA 3.28Å; A370-D373 PolarHBondContact O-N 3.41Å
374C83.9Confident79.9Confident23 Ų2368 Ų6816%0.15538%0.375CS..  trans-69.5134.8-176.5-161.60000112.4C368 A370 D372 F376 H378C368-C374 VanDerWaalsContact SG-SG 3.65Å; A370-C374 HydrophobicContact CB-CB 4.06Å; D372-C374 PolarHBondContact O-N 3.32Å; D372-C374 VanDerWaalsContact O-N 3.16Å; C374-F376 PolarHBondContact O-N 3.22Å; C374-F376 VanDerWaalsContact O-N 3.09Å; C374-H378 WeakPolarHBondContact CB-CE1 3.28Å
375L80.9Confident79.7Confident66 Ų6674.5 Ų74.535%0.34641%0.405SS..SBendtrans-61.2-15.7170.4-87.271.2000113Y339Y339-L375 HydrophobicContact CE1-CB 4.38Å; Y339-L375 WeakPolarHBondContact CE1-O 3.39Å; Y339-L375 PolarHBondContact OH-O 2.75Å
376F83.1Confident79.7Confident54 Ų5473.7 Ų73.724%0.23739%0.388CS..SBendtrans-114.4156-175.8-57.1-69.2000111.7L335 L340 F357 C359 C374 H378L335-F376 HydrophobicContact CD1-CD1 4.43Å; L335-F376 HydrophobicContact CD1-CE1 3.77Å; L335-F376 HydrophobicContact CD2-CE1 3.76Å; L335-F376 HydrophobicContact CD2-CZ 4.2Å; L335-F376 HydrophobicContact CG-CE1 4.44Å; L340-F376 HydrophobicContact CD1-CZ 4.03Å; F357-F376 HydrophobicContact CB-CD1 4.26Å; F357-F376 AromaticContact CD1-CD1 3.85Å; F357-F376 HydrophobicContact CD1-CD1 3.85Å; F357-F376 HydrophobicContact CD1-CE1 4.15Å; F357-F376 HydrophobicContact CG-CD1 4.5Å; F357-F376 WeakPolarHBondContact O-CB 3.49Å; C359-F376 HydrophobicContact CB-CB 3.69Å; C374-F376 PolarHBondContact O-N 3.22Å; C374-F376 VanDerWaalsContact O-N 3.09Å; F376-H378 PolarHBondContact O-N 3.4Å
377Y83.6Confident80Confident75 Ų7572.9 Ų72.929%0.29438%0.381SS..BIsolated β-bridgetrans-62127.1-173.9-168.6-110.8000112.8K355 F357 C359 Y363 E380K355-Y377 WeakPolarHBondContact O-CA 3.3Å; K355-Y377 VanDerWaalsContact O-CB 3.32Å; K355-Y377 WeakPolarHBondContact O-CB 3.3Å; K355-Y377 PolarHBondContact O-N 2.96Å; F357-Y377 PolarHBondContact O-N 2.98Å; C359-Y377 WeakPolarHBondContact CB-O 3.25Å; C359-Y377 PolarHBondContact N-O 2.89Å; Y363-Y377 HydrophobicContact CE2-CD1 4.27Å; Y363-Y377 WeakPolarHBondContact CE2-O 3.09Å; Y363-Y377 VanDerWaalsContact OH-CD1 3.26Å; Y363-Y377 WeakPolarHBondContact OH-CD1 3.4Å; Y363-Y377 WeakPolarHBondContact OH-CE1 3.39Å; Y377-E380 HydrophobicContact CE1-CB 4.14Å; Y377-E380 WeakPolarHBondContact OH-CB 3.43Å; Y377-E380 VanDerWaalsContact OH-CG 3.3Å; Y377-E380 WeakPolarHBondContact OH-CG 3.46Å; Y377-E380 PolarHBondContact OH-N 3.06Å
378H80Confident80.3Confident37 Ų3769 Ų6917%0.17136%0.361CS..  trans-116.4152163.8-69.5166.8000109.1C359 Y362 G371 C374 F376C359-H378 WeakPolarHBondContact CB-CD2 2.99Å; C359-H378 WeakPolarHBondContact CB-NE2 3.49Å; C359-H378 PolarHBondContact SG-NE2 2.74Å; Y362-H378 WeakPolarHBondContact CB-CD2 3.17Å; Y362-H378 WeakPolarHBondContact CB-NE2 3.49Å; Y362-H378 HydrophobicContact CD2-CB 4.29Å; Y362-H378 AromaticContact CD2-CD2 3.7Å; Y362-H378 AromaticContact CD2-CG 3.86Å; Y362-H378 HydrophobicContact CE1-CB 4.49Å; Y362-H378 HydrophobicContact CE2-CB 4.17Å; Y362-H378 HydrophobicContact CG-CB 4.48Å; Y362-H378 AromaticContact CG-CD2 3.45Å; Y362-H378 VanDerWaalsContact CG-CD2 3.45Å; Y362-H378 AromaticContact CG-NE2 3.9Å; G371-H378 PolarHBondContact O-CE1 2.99Å; G371-H378 PolarHBondContact O-ND1 3.05Å; C374-H378 WeakPolarHBondContact CB-CE1 3.28Å; F376-H378 PolarHBondContact O-N 3.4Å
379G76.3Confident80.2Confident21 Ų2168.7 Ų68.722%0.21636%0.358CS..SBendtrans121.5-109.2177.500000113.6Y362 L424Y362-G379 PolarHBondContact OH-N 3.43Å; G379-L424 WeakPolarHBondContact O-CD2 3.31Å
380E79Confident80.4Confident81 Ų8158.5 Ų58.538%0.37932%0.318SS..SBendtrans-59.1149.9-160.6-72.1-169.8178.800115.5Y363 Y377 L382 R430Y363-E380 WeakPolarHBondContact CE1-O 3.34Å; Y363-E380 PolarHBondContact OH-O 2.97Å; Y377-E380 HydrophobicContact CE1-CB 4.14Å; Y377-E380 WeakPolarHBondContact OH-CB 3.43Å; Y377-E380 VanDerWaalsContact OH-CG 3.3Å; Y377-E380 WeakPolarHBondContact OH-CG 3.46Å; Y377-E380 PolarHBondContact OH-N 3.06Å; E380-L382 PolarHBondContact O-N 3.17Å; E380-L382 VanDerWaalsContact O-N 3.15Å; E380-R430 VanDerWaalsContact CD-NH2 3.26Å; E380-R430 IonicContact OE1-CZ 3.96Å; E380-R430 IonicContact OE1-NH1 3.52Å; E380-R430 PolarHBondContact OE1-NH1 3.39Å; E380-R430 IonicContact OE1-NH2 3.94Å; E380-R430 PolarHBondContact OE1-NH2 2.96Å; E380-R430 IonicContact OE2-CZ 3.68Å; E380-R430 IonicContact OE2-NH1 3.85Å; E380-R430 PolarHBondContact OE2-NH1 3.21Å; E380-R430 IonicContact OE2-NH2 2.72Å
381P76Confident80.7Confident21 Ų2156.7 Ų56.714%0.13630%0.302CS..PPolyproline II helixtrans-60.1119.5173.827-35.7000109.6L424 C425 R430P381-L424 HydrophobicContact CB-CB 4.07Å; P381-C425 VanDerWaalsContact CB-SG 3.57Å; P381-R430 HydrophobicContact CG-CB 4.47Å
382L79.5Confident80.6Confident4 Ų459.3 Ų59.32%0.02130%0.302CS..PPolyproline II helixtrans-64.1149.2-161.8-154.172.4000113.4P358 Y363 E380 L386 M417 H421 W434P358-L382 HydrophobicContact CB-CD1 3.77Å; P358-L382 HydrophobicContact CB-CD2 3.8Å; P358-L382 HydrophobicContact CB-CG 4.47Å; P358-L382 HydrophobicContact CG-CD2 4.09Å; Y363-L382 HydrophobicContact CD1-CB 4.14Å; Y363-L382 HydrophobicContact CD2-CD1 4.4Å; Y363-L382 HydrophobicContact CE1-CB 3.86Å; Y363-L382 HydrophobicContact CE1-CD1 4.03Å; Y363-L382 HydrophobicContact CE1-CG 4.43Å; Y363-L382 HydrophobicContact CE2-CD1 3.84Å; E380-L382 PolarHBondContact O-N 3.17Å; E380-L382 VanDerWaalsContact O-N 3.15Å; L382-L386 HydrophobicContact CD1-CB 3.93Å; L382-L386 HydrophobicContact CD1-CD1 3.96Å; L382-L386 HydrophobicContact CD2-CB 3.77Å; L382-L386 HydrophobicContact CG-CB 3.63Å; L382-L386 HydrophobicContact CG-CD1 4.43Å; L382-M417 HydrophobicContact CD2-CE 3.22Å; L382-H421 PolarHBondContact N-ND1 3.46Å; L382-H421 PolarHBondContact O-CE1 2.88Å; L382-H421 PolarHBondContact O-ND1 3.29Å; L382-W434 HydrophobicContact CB-CH2 4.44Å; L382-W434 HydrophobicContact CB-CZ2 4.09Å; L382-W434 WeakPolarHBondContact O-CZ2 3.11Å; L382-W434 PolarHBondContact O-NE1 3.4Å
383S79.2Confident80.6Confident53 Ų5353.2 Ų53.237%0.37127%0.269SS..PPolyproline II helixtrans-73.1154.8173.978.90000111.8Q385 L386 R387S383-Q385 PolarHBondContact O-N 2.65Å; S383-L386 PolarHBondContact O-N 3.32Å; S383-L386 WeakPolarHBondContact OG-CB 3.48Å; S383-L386 WeakPolarHBondContact OG-CG 3.44Å; S383-L386 PolarHBondContact OG-N 2.95Å; S383-L386 VanDerWaalsContact OG-N 3.15Å; S383-R387 WeakPolarHBondContact O-CB 3.33Å; S383-R387 PolarHBondContact O-N 3.12Å
384E80.6Confident80.5Confident87 Ų8747.4 Ų47.441%0.40724%0.237SC..Hα-helixtrans-60.9-32.8177.3-175.5178.1-169.900112.1R387 N388 I437E384-R387 WeakPolarHBondContact O-CB 3.38Å; E384-R387 PolarHBondContact O-N 3.11Å; E384-N388 PolarHBondContact O-N 2.89Å; E384-N388 PolarHBondContact O-ND2 3.48Å; E384-I437 WeakPolarHBondContact OE2-CD1 3.39Å
385Q79.4Confident80Confident138 Ų13851.4 Ų51.465%0.64525%0.254SS*.Hα-helixtrans-65.3-50.9174.6-66.6-179.3-8.200111L333 S383 R387 N388 V389L333-Q385 HydrophobicContact CD2-CB 4.23Å; S383-Q385 PolarHBondContact O-N 2.65Å; Q385-R387 VanDerWaalsContact C-N 3.27Å; Q385-R387 PolarHBondContact O-N 3.37Å; Q385-N388 PolarHBondContact O-N 3.46Å; Q385-V389 WeakPolarHBondContact O-CG2 3.39Å; Q385-V389 PolarHBondContact O-N 3.24Å
386L82.2Confident79.2Confident36 Ų3652.4 Ų52.419%0.18826%0.263CS..Hα-helixtrans-65.4-29.9178-70.3173.4000112.4L382 S383 V389 L390L382-L386 HydrophobicContact CD1-CB 3.93Å; L382-L386 HydrophobicContact CD1-CD1 3.96Å; L382-L386 HydrophobicContact CD2-CB 3.77Å; L382-L386 HydrophobicContact CG-CB 3.63Å; L382-L386 HydrophobicContact CG-CD1 4.43Å; S383-L386 PolarHBondContact O-N 3.32Å; S383-L386 WeakPolarHBondContact OG-CB 3.48Å; S383-L386 WeakPolarHBondContact OG-CG 3.44Å; S383-L386 PolarHBondContact OG-N 2.95Å; S383-L386 VanDerWaalsContact OG-N 3.15Å; L386-V389 PolarHBondContact O-N 2.91Å; L386-L390 PolarHBondContact O-N 3.46Å
387R83.8Confident78.1Confident47 Ų4750.7 Ų50.718%0.17726%0.258CS..Hα-helixtrans-61-50.5170-176.2-168.4-166.3-112.110111.7S383 E384 Q385 V389 L390 L391 M417 T418 W434S383-R387 WeakPolarHBondContact O-CB 3.33Å; S383-R387 PolarHBondContact O-N 3.12Å; E384-R387 WeakPolarHBondContact O-CB 3.38Å; E384-R387 PolarHBondContact O-N 3.11Å; Q385-R387 VanDerWaalsContact C-N 3.27Å; Q385-R387 PolarHBondContact O-N 3.37Å; R387-V389 PolarHBondContact O-N 3.15Å; R387-L390 PolarHBondContact O-N 3.18Å; R387-L391 VanDerWaalsContact O-CB 3.24Å; R387-L391 WeakPolarHBondContact O-CB 3.47Å; R387-L391 PolarHBondContact O-N 2.84Å; R387-M417 HydrophobicContact CB-CE 4.06Å; R387-M417 HydrophobicContact CB-SD 4.46Å; R387-M417 HydrophobicContact CG-CE 3.98Å; R387-M417 HydrophobicContact CG-SD 3.75Å; R387-T418 PolarHBondContact NH2-OG1 3.28Å; R387-W434 HydrophobicContact CB-CH2 3.93Å; R387-W434 HydrophobicContact CB-CZ2 3.72Å; R387-W434 VanDerWaalsContact CD-CH2 3.42Å; R387-W434 HydrophobicContact CG-CH2 3.69Å; R387-W434 HydrophobicContact CG-CZ2 3.96Å; R387-W434 HydrophobicContact CG-CZ3 4.34Å
388N84.9Confident76.9Confident73 Ų7350.8 Ų50.839%0.3927%0.268SS..Hα-helixtrans-66-29.4178-70.4-38.3000112E384 Q385 K392E384-N388 PolarHBondContact O-N 2.89Å; E384-N388 PolarHBondContact O-ND2 3.48Å; Q385-N388 PolarHBondContact O-N 3.46Å; N388-K392 VanDerWaalsContact O-CB 3.26Å; N388-K392 WeakPolarHBondContact O-CB 2.95Å; N388-K392 PolarHBondContact O-N 3.48Å
389V83.8Confident75.8Confident20 Ų2056.8 Ų56.812%0.12129%0.293CS..Hα-helixtrans-70.6-50.2174.8167.60000112.1L333 F357 Q385 L386 R387 L391 K392 H393L333-V389 HydrophobicContact CB-CG1 4.44Å; L333-V389 HydrophobicContact CB-CG2 3.45Å; L333-V389 VanDerWaalsContact CB-CG2 3.45Å; L333-V389 HydrophobicContact CD2-CG2 4.06Å; L333-V389 HydrophobicContact CG-CG2 4.39Å; L333-V389 WeakPolarHBondContact O-CG1 3.38Å; L333-V389 WeakPolarHBondContact O-CG2 3.31Å; F357-V389 HydrophobicContact CD2-CG1 4.37Å; F357-V389 HydrophobicContact CE2-CG1 3.76Å; Q385-V389 WeakPolarHBondContact O-CG2 3.39Å; Q385-V389 PolarHBondContact O-N 3.24Å; L386-V389 PolarHBondContact O-N 2.91Å; R387-V389 PolarHBondContact O-N 3.15Å; V389-L391 VanDerWaalsContact C-N 3.27Å; V389-L391 PolarHBondContact O-N 3.37Å; V389-K392 PolarHBondContact O-N 3.12Å; V389-H393 VanDerWaalsContact O-CB 3.32Å; V389-H393 WeakPolarHBondContact O-CB 3.44Å; V389-H393 PolarHBondContact O-N 3.26Å
390L83.6Confident74.8Confident1 Ų163.4 Ų63.41%0.00532%0.319CS..Hα-helixtrans-59.5-42.5175.5-17761.1000110.7F357 P358 K360 L364 L386 R387 H393 M394 M417F357-L390 HydrophobicContact CE1-CD1 4.16Å; F357-L390 HydrophobicContact CZ-CD1 4.37Å; P358-L390 HydrophobicContact CB-CD2 4.46Å; P358-L390 HydrophobicContact CG-CB 3.9Å; P358-L390 HydrophobicContact CG-CD1 4.35Å; P358-L390 HydrophobicContact CG-CD2 4.48Å; P358-L390 HydrophobicContact CG-CG 4.46Å; K360-L390 HydrophobicContact CB-CD1 4.17Å; K360-L390 HydrophobicContact CG-CD1 4.42Å; L364-L390 HydrophobicContact CD1-CD2 4.06Å; L386-L390 PolarHBondContact O-N 3.46Å; R387-L390 PolarHBondContact O-N 3.18Å; L390-H393 PolarHBondContact O-N 2.92Å; L390-M394 WeakPolarHBondContact O-CG 3.47Å; L390-M394 PolarHBondContact O-N 2.81Å; L390-M417 HydrophobicContact CB-CE 4.2Å; L390-M417 HydrophobicContact CD2-CE 3.58Å; L390-M417 HydrophobicContact CD2-SD 4.08Å; L390-M417 HydrophobicContact CG-CE 4.46Å
391L82.9Confident73.7Confident5 Ų562.1 Ų62.13%0.02631%0.314CS..Hα-helixtrans-70.1-37.4-179-166.563.2000112.7R387 V389 M394 E395 R410 A413 I414R387-L391 VanDerWaalsContact O-CB 3.24Å; R387-L391 WeakPolarHBondContact O-CB 3.47Å; R387-L391 PolarHBondContact O-N 2.84Å; V389-L391 VanDerWaalsContact C-N 3.27Å; V389-L391 PolarHBondContact O-N 3.37Å; L391-M394 PolarHBondContact O-N 2.81Å; L391-E395 PolarHBondContact O-N 3.47Å; L391-R410 HydrophobicContact CD1-CG 3.81Å; L391-R410 HydrophobicContact CD2-CG 4.09Å; L391-R410 HydrophobicContact CG-CG 4.06Å; L391-A413 HydrophobicContact CD1-CB 4.29Å; L391-I414 HydrophobicContact CD1-CG1 4.26Å; L391-I414 HydrophobicContact CD2-CD1 3.87Å; L391-I414 HydrophobicContact CD2-CG1 3.6Å
392K79.4Confident72.7Confident95 Ų9562.4 Ų62.441%0.41331%0.314SS..Hα-helixtrans-59.5-50.2167.7-178.7-167.2176.2-170.60109.9E334 N388 V389 M394 E395 T396E334-K392 IonicContact OE1-NZ 3.39Å; E334-K392 PolarHBondContact OE1-NZ 3.07Å; N388-K392 VanDerWaalsContact O-CB 3.26Å; N388-K392 WeakPolarHBondContact O-CB 2.95Å; N388-K392 PolarHBondContact O-N 3.48Å; V389-K392 PolarHBondContact O-N 3.12Å; K392-M394 VanDerWaalsContact C-N 3.28Å; K392-M394 PolarHBondContact O-N 2.79Å; K392-E395 PolarHBondContact O-N 3.16Å; K392-T396 HydrophobicContact CG-CG2 3.93Å; K392-T396 PolarHBondContact O-N 2.81Å; K392-T396 PolarHBondContact O-OG1 2.88Å
393H74.7Confident71.9Confident30 Ų3064.9 Ų64.914%0.13934%0.341CS..Hα-helixtrans-60.9-36-178-169.680.9000112.4F357 V389 L390 E395 A397 I401F357-H393 HydrophobicContact CZ-CB 3.94Å; F357-H393 AromaticContact CZ-CD2 3.8Å; F357-H393 AromaticContact CZ-CG 3.71Å; V389-H393 VanDerWaalsContact O-CB 3.32Å; V389-H393 WeakPolarHBondContact O-CB 3.44Å; V389-H393 PolarHBondContact O-N 3.26Å; L390-H393 PolarHBondContact O-N 2.92Å; H393-E395 PolarHBondContact O-N 3.13Å; H393-A397 WeakPolarHBondContact O-CB 3.01Å; H393-A397 PolarHBondContact O-N 3.45Å; H393-I401 VanDerWaalsContact NE2-CG2 3.35Å; H393-I401 WeakPolarHBondContact NE2-CG2 3.46Å
394M74.5Confident70.6Confident29 Ų2970.7 Ų70.714%0.14337%0.367CS..Hα-helixtrans-64.9-21.2173.8-78.1-167.560.200114.9K360 L364 L390 L391 K392 F405 A413K360-M394 HydrophobicContact CD-CG 4.44Å; K360-M394 HydrophobicContact CG-SD 4.38Å; L364-M394 HydrophobicContact CD1-SD 4.09Å; L364-M394 HydrophobicContact CD2-CE 3.8Å; L364-M394 HydrophobicContact CD2-SD 3.78Å; L390-M394 WeakPolarHBondContact O-CG 3.47Å; L390-M394 PolarHBondContact O-N 2.81Å; L391-M394 PolarHBondContact O-N 2.81Å; K392-M394 VanDerWaalsContact C-N 3.28Å; K392-M394 PolarHBondContact O-N 2.79Å; M394-F405 HydrophobicContact CE-CE1 3.76Å; M394-F405 HydrophobicContact CE-CZ 4.26Å; M394-A413 HydrophobicContact CE-CB 3.95Å; M394-A413 HydrophobicContact SD-CB 4.25Å
395E72.6Confident69.6Low107 Ų10767.2 Ų67.250%0.535%0.351SS..Hα-helixtrans-102.2-42178.4-69.9176.6164.600113.1L391 K392 H393 R410L391-E395 PolarHBondContact O-N 3.47Å; K392-E395 PolarHBondContact O-N 3.16Å; H393-E395 PolarHBondContact O-N 3.13Å; E395-R410 WeakPolarHBondContact OE1-CB 3.43Å; E395-R410 WeakPolarHBondContact OE1-CD 3.2Å; E395-R410 WeakPolarHBondContact OE1-CG 3.48Å; E395-R410 IonicContact OE1-CZ 2.76Å; E395-R410 IonicContact OE1-NE 3.2Å; E395-R410 IonicContact OE1-NH1 2.69Å; E395-R410 PolarHBondContact OE1-NH1 3.19Å; E395-R410 IonicContact OE2-CZ 3.43Å; E395-R410 IonicContact OE2-NH1 3.76Å; E395-R410 PolarHBondContact OE2-NH1 3.4Å
396T64.5Low69.1Low87 Ų8768.7 Ų68.753%0.53436%0.356SS..Hα-helixtrans-100.2-10.5-167.373.20000114.4K392K392-T396 HydrophobicContact CG-CG2 3.93Å; K392-T396 PolarHBondContact O-N 2.81Å; K392-T396 PolarHBondContact O-OG1 2.88Å
397A59.6Low68.1Low17 Ų1776.7 Ų76.714%0.1438%0.383CS..SBendtrans-84.7135.5179.300000111.3H393 I401 L402H393-A397 WeakPolarHBondContact O-CB 3.01Å; H393-A397 PolarHBondContact O-N 3.45Å; A397-I401 HydrophobicContact CB-CB 4.38Å; A397-I401 HydrophobicContact CB-CD1 4.4Å; A397-L402 HydrophobicContact CB-CD1 3.56Å
398P58Low67.5Low77 Ų7776 Ų7650%0.538%0.382SS..  trans-57.5161.9175.3-27.136.1000113.8E400 I401P398-E400 PolarHBondContact O-N 2.97Å; P398-E400 VanDerWaalsContact O-N 3.1Å; P398-I401 PolarHBondContact O-N 2.95Å
399K57.4Low67Low163 Ų16375.3 Ų75.371%0.70938%0.383SS*.Hα-helixtrans-50.6-37.9-179.9-64.1178.8-175.71740112.6I401 L402 G403K399-I401 PolarHBondContact O-N 2.8Å; K399-I401 VanDerWaalsContact O-N 3.17Å; K399-L402 PolarHBondContact O-N 3.18Å; K399-G403 PolarHBondContact O-N 2.85Å
400E55Low66.7Low160 Ų16078.3 Ų78.375%0.74839%0.393SS*.Hα-helixtrans-50.5-35177.7-67.7165.1-14600114.5P398P398-E400 PolarHBondContact O-N 2.97Å; P398-E400 VanDerWaalsContact O-N 3.1Å
401I57.2Low66.6Low54 Ų5483 Ų8328%0.27742%0.418SS..Hα-helixtrans-94.8-17.4-178.3-51.4172.9000111.5L335 L340 H393 A397 P398 K399L335-I401 HydrophobicContact CD2-CG2 4.3Å; L340-I401 HydrophobicContact CD2-CB 4.16Å; L340-I401 HydrophobicContact CD2-CG1 3.9Å; L340-I401 HydrophobicContact CD2-CG2 3.67Å; H393-I401 VanDerWaalsContact NE2-CG2 3.35Å; H393-I401 WeakPolarHBondContact NE2-CG2 3.46Å; A397-I401 HydrophobicContact CB-CB 4.38Å; A397-I401 HydrophobicContact CB-CD1 4.4Å; P398-I401 PolarHBondContact O-N 2.95Å; K399-I401 PolarHBondContact O-N 2.8Å; K399-I401 VanDerWaalsContact O-N 3.17Å
402L54.5Low66.7Low28 Ų2887.2 Ų87.215%0.14744%0.439CS..Hα-helixtrans-95.5-20-177.4-94.573.8000114.4A397 K399 F405A397-L402 HydrophobicContact CB-CD1 3.56Å; K399-L402 PolarHBondContact O-N 3.18Å; L402-F405 VanDerWaalsContact O-CB 3.22Å; L402-F405 WeakPolarHBondContact O-CB 3.13Å; L402-F405 PolarHBondContact O-N 3.16Å
403G62.6Low66.9Low56 Ų5682.7 Ų82.758%0.57742%0.42SS*.THydrogen-bonded Turntrans53.4-149.5-175.200000112.9K399 F405K399-G403 PolarHBondContact O-N 2.85Å; G403-F405 PolarHBondContact O-N 2.82Å
404D52.5Low67.4Low174 Ų17483.2 Ų83.293%0.9342%0.423SS*.THydrogen-bonded Turntrans-74.423.2179.2-63-40.3000114.2K406D404-K406 PolarHBondContact O-N 3.42Å
405F58.9Low68Low15 Ų1586.5 Ų86.57%0.06645%0.445CS..  trans-65.5113.5-179.4-172.1-87.1000111.5K360 Y361 L364 M366 M394 L402 G403 R407 I408K360-F405 HydrophobicContact CD-CD2 3.94Å; K360-F405 HydrophobicContact CD-CE2 4.08Å; K360-F405 HydrophobicContact CD-CG 4.23Å; K360-F405 VanDerWaalsContact CE-CD2 3.4Å; K360-F405 VanDerWaalsContact CE-CE1 3.49Å; K360-F405 HydrophobicContact CG-CD2 4.39Å; K360-F405 HydrophobicContact CG-CE2 4.07Å; K360-F405 HydrophobicContact CG-CZ 4.45Å; K360-F405 VanDerWaalsContact NZ-CB 3.27Å; Y361-F405 HydrophobicContact CE1-CD2 4.06Å; Y361-F405 HydrophobicContact CE1-CE2 4.35Å; Y361-F405 AromaticContact CZ-CD2 3.99Å; L364-F405 HydrophobicContact CD2-CE1 4.4Å; L364-F405 HydrophobicContact CD2-CZ 3.66Å; M366-F405 HydrophobicContact CE-CD2 4.3Å; M366-F405 HydrophobicContact CE-CE2 3.6Å; M366-F405 HydrophobicContact CE-CZ 4.28Å; M394-F405 HydrophobicContact CE-CE1 3.76Å; M394-F405 HydrophobicContact CE-CZ 4.26Å; L402-F405 VanDerWaalsContact O-CB 3.22Å; L402-F405 WeakPolarHBondContact O-CB 3.13Å; L402-F405 PolarHBondContact O-N 3.16Å; G403-F405 PolarHBondContact O-N 2.82Å; F405-R407 PolarHBondContact O-N 3.44Å; F405-R407 VanDerWaalsContact O-N 3.13Å; F405-I408 HydrophobicContact CE1-CB 4.42Å; F405-I408 HydrophobicContact CE1-CD1 4.19Å; F405-I408 HydrophobicContact CE1-CG1 4.4Å; F405-I408 HydrophobicContact CZ-CD1 4.04Å
406K68.8Low68.6Low169 Ų16984 Ų8474%0.73543%0.433SS*.  trans-41.9117.2171.8-176.7174.9-176.5174.40110.8D404 I408D404-K406 PolarHBondContact O-N 3.42Å; K406-I408 VanDerWaalsContact C-N 3.32Å; K406-I408 WeakPolarHBondContact O-CG1 3.23Å; K406-I408 PolarHBondContact O-N 3.04Å
407R61.3Low69.6Low203 Ų20380.1 Ų80.177%0.76641%0.409SS*.  trans-6884.3-175.3-71.4-178.5173-110.9-12.2112.1F405F405-R407 PolarHBondContact O-N 3.44Å; F405-R407 VanDerWaalsContact O-N 3.13Å
408I70.8Confident70.9Confident32 Ų3281.9 Ų81.916%0.16442%0.418CS..  trans-78.3133.6171.9-66.3171.8000108.3F405 K406 I412 A413F405-I408 HydrophobicContact CE1-CB 4.42Å; F405-I408 HydrophobicContact CE1-CD1 4.19Å; F405-I408 HydrophobicContact CE1-CG1 4.4Å; F405-I408 HydrophobicContact CZ-CD1 4.04Å; K406-I408 VanDerWaalsContact C-N 3.32Å; K406-I408 WeakPolarHBondContact O-CG1 3.23Å; K406-I408 PolarHBondContact O-N 3.04Å; I408-I412 HydrophobicContact CG2-CB 3.58Å; I408-I412 HydrophobicContact CG2-CG2 3.5Å; I408-I412 VanDerWaalsContact CG2-CG2 3.5Å; I408-A413 HydrophobicContact CG2-CB 4.15Å
409S74.2Confident72.3Confident59 Ų5986.4 Ų86.441%0.41343%0.425SS..  trans-68.5156179.764.10000112.1D411 I412 A413S409-D411 PolarHBondContact O-N 3.23Å; S409-D411 VanDerWaalsContact O-N 3.14Å; S409-I412 PolarHBondContact O-N 2.92Å; S409-I412 VanDerWaalsContact O-N 3.09Å; S409-I412 WeakPolarHBondContact OG-CD1 3.29Å; S409-I412 WeakPolarHBondContact OG-CG1 3.31Å; S409-A413 PolarHBondContact O-N 3.49Å
410R78.5Confident73.7Confident83 Ų8380.1 Ų80.131%0.31340%0.397SS..Hα-helixtrans-48-45.2-179.3-168.8-162.4-179.383.8-0.4112.2L391 E395 A413 I414L391-R410 HydrophobicContact CD1-CG 3.81Å; L391-R410 HydrophobicContact CD2-CG 4.09Å; L391-R410 HydrophobicContact CG-CG 4.06Å; E395-R410 WeakPolarHBondContact OE1-CB 3.43Å; E395-R410 WeakPolarHBondContact OE1-CD 3.2Å; E395-R410 WeakPolarHBondContact OE1-CG 3.48Å; E395-R410 IonicContact OE1-CZ 2.76Å; E395-R410 IonicContact OE1-NE 3.2Å; E395-R410 IonicContact OE1-NH1 2.69Å; E395-R410 PolarHBondContact OE1-NH1 3.19Å; E395-R410 IonicContact OE2-CZ 3.43Å; E395-R410 IonicContact OE2-NH1 3.76Å; E395-R410 PolarHBondContact OE2-NH1 3.4Å; R410-A413 PolarHBondContact O-N 2.97Å; R410-I414 HydrophobicContact CG-CD1 3.95Å; R410-I414 WeakPolarHBondContact O-CB 3.29Å; R410-I414 VanDerWaalsContact O-CG1 3.24Å; R410-I414 WeakPolarHBondContact O-CG1 3.48Å; R410-I414 PolarHBondContact O-N 3.47Å
411D81.4Confident75.2Confident100 Ų10072.7 Ų72.754%0.53536%0.362SS..Hα-helixtrans-71.8-36.1-175.7-53.2-68.2000112.8S409 I414 V415S409-D411 PolarHBondContact O-N 3.23Å; S409-D411 VanDerWaalsContact O-N 3.14Å; D411-I414 WeakPolarHBondContact O-CB 3.48Å; D411-I414 PolarHBondContact O-N 3.11Å; D411-V415 WeakPolarHBondContact O-CG2 3.24Å; D411-V415 PolarHBondContact O-N 3.09Å
412I84.1Confident76.6Confident93 Ų9374.6 Ų74.648%0.47737%0.37SS..Hα-helixtrans-69.6-42.4174.3-61.3170.5000110I408 S409 I414 V415 Q416I408-I412 HydrophobicContact CG2-CB 3.58Å; I408-I412 HydrophobicContact CG2-CG2 3.5Å; I408-I412 VanDerWaalsContact CG2-CG2 3.5Å; S409-I412 PolarHBondContact O-N 2.92Å; S409-I412 VanDerWaalsContact O-N 3.09Å; S409-I412 WeakPolarHBondContact OG-CD1 3.29Å; S409-I412 WeakPolarHBondContact OG-CG1 3.31Å; I412-I414 VanDerWaalsContact C-N 3.34Å; I412-I414 PolarHBondContact O-N 3.45Å; I412-V415 PolarHBondContact O-N 3.13Å; I412-Q416 HydrophobicContact CG2-CG 4.4Å; I412-Q416 WeakPolarHBondContact O-CB 3.46Å; I412-Q416 WeakPolarHBondContact O-CG 3.27Å; I412-Q416 PolarHBondContact O-N 3.18Å
413A83.9Confident78.2Confident1 Ų177 Ų771%0.00838%0.381CS..Hα-helixtrans-61.8-41.2174.600000111.6L364 L391 M394 I408 S409 R410 V415 M417L364-A413 HydrophobicContact CD2-CB 4.21Å; L391-A413 HydrophobicContact CD1-CB 4.29Å; M394-A413 HydrophobicContact CE-CB 3.95Å; M394-A413 HydrophobicContact SD-CB 4.25Å; I408-A413 HydrophobicContact CG2-CB 4.15Å; S409-A413 PolarHBondContact O-N 3.49Å; R410-A413 PolarHBondContact O-N 2.97Å; A413-V415 PolarHBondContact O-N 3.25Å; A413-M417 WeakPolarHBondContact O-CB 3.08Å; A413-M417 PolarHBondContact O-N 3.01Å
414I85.2Confident79.2Confident41 Ų4174.4 Ų74.421%0.2135%0.353CS..Hα-helixtrans-55.6-47.9171.4-82.4166.8000111.3L391 R410 D411 I412 T418L391-I414 HydrophobicContact CD1-CG1 4.26Å; L391-I414 HydrophobicContact CD2-CD1 3.87Å; L391-I414 HydrophobicContact CD2-CG1 3.6Å; R410-I414 HydrophobicContact CG-CD1 3.95Å; R410-I414 WeakPolarHBondContact O-CB 3.29Å; R410-I414 VanDerWaalsContact O-CG1 3.24Å; R410-I414 WeakPolarHBondContact O-CG1 3.48Å; R410-I414 PolarHBondContact O-N 3.47Å; D411-I414 WeakPolarHBondContact O-CB 3.48Å; D411-I414 PolarHBondContact O-N 3.11Å; I412-I414 VanDerWaalsContact C-N 3.34Å; I412-I414 PolarHBondContact O-N 3.45Å; I414-T418 WeakPolarHBondContact O-CB 3.46Å; I414-T418 PolarHBondContact O-N 3.05Å; I414-T418 PolarHBondContact O-OG1 3.02Å
415V87.1Confident80.7Confident98 Ų9866.3 Ų66.359%0.59431%0.31SS*.Hα-helixtrans-67.4-48.6-178.1169.10000111.1D411 I412 A413 M417 T418 R419D411-V415 WeakPolarHBondContact O-CG2 3.24Å; D411-V415 PolarHBondContact O-N 3.09Å; I412-V415 PolarHBondContact O-N 3.13Å; A413-V415 PolarHBondContact O-N 3.25Å; V415-M417 VanDerWaalsContact C-N 3.34Å; V415-M417 PolarHBondContact O-N 3.4Å; V415-T418 PolarHBondContact O-N 3.45Å; V415-R419 WeakPolarHBondContact O-CB 3.08Å; V415-R419 PolarHBondContact O-N 2.64Å
416Q85.6Confident81.8Confident54 Ų5471.3 Ų71.325%0.25234%0.338SS..Hα-helixtrans-55.1-48.8175.4-77.7177.1-39.600111.8L364 I412 T418 R419 R420L364-Q416 HydrophobicContact CB-CB 4.5Å; L364-Q416 HydrophobicContact CG-CB 4.46Å; L364-Q416 WeakPolarHBondContact O-CB 3.18Å; I412-Q416 HydrophobicContact CG2-CG 4.4Å; I412-Q416 WeakPolarHBondContact O-CB 3.46Å; I412-Q416 WeakPolarHBondContact O-CG 3.27Å; I412-Q416 PolarHBondContact O-N 3.18Å; Q416-T418 VanDerWaalsContact C-N 3.35Å; Q416-T418 PolarHBondContact O-N 2.88Å; Q416-R419 PolarHBondContact O-N 2.81Å; Q416-R420 PolarHBondContact O-N 3.12Å
417M84.6Confident82.4Confident5 Ų569.2 Ų69.23%0.02533%0.33CS..Hα-helixtrans-68.2-32.6-178.1-171174.9-16600113.4Y363 L382 R387 L390 A413 V415 H421 W434Y363-M417 VanDerWaalsContact O-CA 3.29Å; Y363-M417 WeakPolarHBondContact O-CA 3.44Å; L382-M417 HydrophobicContact CD2-CE 3.22Å; R387-M417 HydrophobicContact CB-CE 4.06Å; R387-M417 HydrophobicContact CB-SD 4.46Å; R387-M417 HydrophobicContact CG-CE 3.98Å; R387-M417 HydrophobicContact CG-SD 3.75Å; L390-M417 HydrophobicContact CB-CE 4.2Å; L390-M417 HydrophobicContact CD2-CE 3.58Å; L390-M417 HydrophobicContact CD2-SD 4.08Å; L390-M417 HydrophobicContact CG-CE 4.46Å; A413-M417 WeakPolarHBondContact O-CB 3.08Å; A413-M417 PolarHBondContact O-N 3.01Å; V415-M417 VanDerWaalsContact C-N 3.34Å; V415-M417 PolarHBondContact O-N 3.4Å; M417-H421 WeakPolarHBondContact O-CB 3.42Å; M417-H421 PolarHBondContact O-N 2.79Å; M417-W434 HydrophobicContact CG-CH2 4.34Å
418T88.1Confident83.1Confident54 Ų5463.5 Ų63.533%0.33132%0.315SS..Hα-helixtrans-71.6-43.1174.7-51.10000110.7R387 I414 V415 Q416 R420 H421 E422R387-T418 PolarHBondContact NH2-OG1 3.28Å; I414-T418 WeakPolarHBondContact O-CB 3.46Å; I414-T418 PolarHBondContact O-N 3.05Å; I414-T418 PolarHBondContact O-OG1 3.02Å; V415-T418 PolarHBondContact O-N 3.45Å; Q416-T418 VanDerWaalsContact C-N 3.35Å; Q416-T418 PolarHBondContact O-N 2.88Å; T418-R420 VanDerWaalsContact C-N 3.34Å; T418-R420 PolarHBondContact O-N 3.15Å; T418-H421 PolarHBondContact O-N 2.88Å; T418-E422 PolarHBondContact O-N 2.87Å
419R87.5Confident83.3Confident173 Ų17369.3 Ų69.365%0.65335%0.346SS*.Hα-helixtrans-61.3-39.7174.8-166.7-175.2-160.4-161.75.8112.5V415 Q416 Q423V415-R419 WeakPolarHBondContact O-CB 3.08Å; V415-R419 PolarHBondContact O-N 2.64Å; Q416-R419 PolarHBondContact O-N 2.81Å; R419-Q423 WeakPolarHBondContact O-CG 3.48Å; R419-Q423 PolarHBondContact O-N 3.47Å
420R86.7Confident83.1Confident31 Ų3172.1 Ų72.112%0.11735%0.348CS..Hα-helixtrans-73.6-37.3177.8-174.662.6-179.8123.3-0.9112.5Y362 Q416 T418 E422 Q423 L424Y362-R420 WeakPolarHBondContact O-CG 3.4Å; Y362-R420 PolarHBondContact O-NE 3.1Å; Q416-R420 PolarHBondContact O-N 3.12Å; T418-R420 VanDerWaalsContact C-N 3.34Å; T418-R420 PolarHBondContact O-N 3.15Å; R420-E422 VanDerWaalsContact C-N 3.33Å; R420-Q423 PolarHBondContact O-N 2.92Å; R420-L424 HydrophobicContact CG-CD1 4.3Å; R420-L424 VanDerWaalsContact O-CG 3.3Å; R420-L424 WeakPolarHBondContact O-CG 3.19Å; R420-L424 PolarHBondContact O-N 2.79Å
421H86.6Confident82.6Confident3 Ų376.3 Ų76.31%0.01437%0.371CS..Hα-helixtrans-60.4-43.2172.5176.8102.4000111.5L382 M417 T418 L424 C425 N432 W434L382-H421 PolarHBondContact N-ND1 3.46Å; L382-H421 PolarHBondContact O-CE1 2.88Å; L382-H421 PolarHBondContact O-ND1 3.29Å; M417-H421 WeakPolarHBondContact O-CB 3.42Å; M417-H421 PolarHBondContact O-N 2.79Å; T418-H421 PolarHBondContact O-N 2.88Å; H421-L424 PolarHBondContact O-N 3.35Å; H421-L424 VanDerWaalsContact O-N 3.13Å; H421-C425 PolarHBondContact NE2-SG 3.39Å; H421-C425 PolarHBondContact O-N 3.22Å; H421-C425 PolarHBondContact O-SG 3.39Å; H421-C425 VanDerWaalsContact O-SG 3.35Å; H421-N432 PolarHBondContact NE2-OD1 3.39Å; H421-W434 HydrophobicContact CB-CD2 4.46Å; H421-W434 HydrophobicContact CB-CE3 3.76Å; H421-W434 HydrophobicContact CB-CH2 3.75Å; H421-W434 HydrophobicContact CB-CZ2 4.45Å; H421-W434 HydrophobicContact CB-CZ3 3.36Å; H421-W434 AromaticContact CD2-CD2 3.7Å; H421-W434 AromaticContact CD2-CE3 3.66Å; H421-W434 AromaticContact CE1-CD1 3.61Å; H421-W434 AromaticContact CE1-CD2 3.46Å; H421-W434 VanDerWaalsContact CE1-CD2 3.46Å; H421-W434 AromaticContact CE1-CE2 3.32Å; H421-W434 AromaticContact CE1-CG 3.66Å; H421-W434 AromaticContact CE1-CZ2 3.83Å; H421-W434 AromaticContact CE1-NE1 3.38Å; H421-W434 PolarHBondContact CE1-NE1 2.87Å; H421-W434 AromaticContact CG-CD2 3.69Å; H421-W434 AromaticContact CG-CE2 3.94Å; H421-W434 AromaticContact CG-CE3 3.46Å; H421-W434 VanDerWaalsContact CG-CE3 3.46Å; H421-W434 AromaticContact CG-CH2 3.78Å; H421-W434 AromaticContact CG-CZ3 3.51Å; H421-W434 AromaticContact ND1-CD2 3.54Å; H421-W434 AromaticContact ND1-CE2 3.31Å; H421-W434 VanDerWaalsContact ND1-CE2 3.31Å; H421-W434 AromaticContact ND1-CE3 3.74Å; H421-W434 AromaticContact ND1-CH2 3.55Å; H421-W434 AromaticContact ND1-CZ2 3.34Å; H421-W434 VanDerWaalsContact ND1-CZ2 3.34Å; H421-W434 WeakPolarHBondContact ND1-CZ2 3.38Å; H421-W434 AromaticContact ND1-CZ3 3.75Å; H421-W434 AromaticContact ND1-NE1 3.84Å; H421-W434 AromaticContact NE2-CD1 3.78Å; H421-W434 AromaticContact NE2-CD2 3.56Å; H421-W434 AromaticContact NE2-CE2 3.93Å; H421-W434 AromaticContact NE2-CG 3.49Å
422E86.4Confident82Confident94 Ų9472.9 Ų72.944%0.43935%0.353SS..Hα-helixtrans-56.1-52.9174.1-174.4168.9-131.500111.3T418 R420 L424 C425 D426T418-E422 PolarHBondContact O-N 2.87Å; R420-E422 VanDerWaalsContact C-N 3.33Å; E422-L424 PolarHBondContact O-N 2.87Å; E422-C425 WeakPolarHBondContact O-CB 3.39Å; E422-C425 PolarHBondContact O-N 3.36Å; E422-C425 VanDerWaalsContact O-N 3.09Å; E422-D426 PolarHBondContact O-N 2.97Å
423Q86.5Confident81.1Confident80 Ų8072.3 Ų72.337%0.37435%0.353SS..Hα-helixtrans-57.4-32.5174.2-69.6171.9-22.600114R419 R420 Q427R419-Q423 WeakPolarHBondContact O-CG 3.48Å; R419-Q423 PolarHBondContact O-N 3.47Å; R420-Q423 PolarHBondContact O-N 2.92Å; Q423-Q427 VanDerWaalsContact O-CB 3.24Å; Q423-Q427 WeakPolarHBondContact O-CB 3.49Å; Q423-Q427 WeakPolarHBondContact O-CG 3.49Å; Q423-Q427 PolarHBondContact O-N 3.28Å
424L85.1Confident80.1Confident1 Ų173.7 Ų73.71%0.00536%0.358CS..Hα-helixtrans-76.5-32.8177.3-73171.6000112.7Y362 Y363 G379 P381 R420 H421 E422 L428Y362-L424 HydrophobicContact CE1-CD1 3.88Å; Y362-L424 HydrophobicContact CE1-CD2 3.98Å; Y362-L424 WeakPolarHBondContact OH-CD2 3.16Å; Y363-L424 HydrophobicContact CD1-CD1 3.93Å; Y363-L424 HydrophobicContact CE1-CD1 3.49Å; Y363-L424 VanDerWaalsContact CE1-CD1 3.49Å; G379-L424 WeakPolarHBondContact O-CD2 3.31Å; P381-L424 HydrophobicContact CB-CB 4.07Å; R420-L424 HydrophobicContact CG-CD1 4.3Å; R420-L424 VanDerWaalsContact O-CG 3.3Å; R420-L424 WeakPolarHBondContact O-CG 3.19Å; R420-L424 PolarHBondContact O-N 2.79Å; H421-L424 PolarHBondContact O-N 3.35Å; H421-L424 VanDerWaalsContact O-N 3.13Å; E422-L424 PolarHBondContact O-N 2.87Å; L424-L428 WeakPolarHBondContact O-CB 3.37Å; L424-L428 PolarHBondContact O-N 3.24Å
425C83.1Confident78.7Confident4 Ų475.2 Ų75.23%0.02737%0.367CS..Hα-helixtrans-63.1-44.2170-68.80000111P381 H421 E422 N429 R430 N432P381-C425 VanDerWaalsContact CB-SG 3.57Å; H421-C425 PolarHBondContact NE2-SG 3.39Å; H421-C425 PolarHBondContact O-N 3.22Å; H421-C425 PolarHBondContact O-SG 3.39Å; H421-C425 VanDerWaalsContact O-SG 3.35Å; E422-C425 WeakPolarHBondContact O-CB 3.39Å; E422-C425 PolarHBondContact O-N 3.36Å; E422-C425 VanDerWaalsContact O-N 3.09Å; C425-N429 CarbonylContact O-C 3.52Å; C425-N429 WeakPolarHBondContact O-CA 3.28Å; C425-N429 PolarHBondContact O-N 2.81Å; C425-R430 WeakPolarHBondContact CB-O 3.44Å; C425-R430 PolarHBondContact O-N 3.33Å; C425-N432 HydrophobicContact CB-CB 3.93Å; C425-N432 VanDerWaalsContact SG-CA 3.57Å; C425-N432 VanDerWaalsContact SG-CB 3.58Å
426D82.6Confident76.7Confident119 Ų11973.8 Ų73.864%0.63636%0.361SS*.Hα-helixtrans-64.3-50176.2-60.3-25.6000111.3E422 L428 N429E422-D426 PolarHBondContact O-N 2.97Å; D426-L428 VanDerWaalsContact C-N 3.35Å; D426-L428 PolarHBondContact O-N 3.02Å; D426-N429 PolarHBondContact O-N 3.33Å
427Q81.4Confident75Confident125 Ų12577 Ų7758%0.58438%0.379SS*.Hα-helixtrans-63.5-35.4-178.4-76.7166.8-2.600113.5Q423Q423-Q427 VanDerWaalsContact O-CB 3.24Å; Q423-Q427 WeakPolarHBondContact O-CB 3.49Å; Q423-Q427 WeakPolarHBondContact O-CG 3.49Å; Q423-Q427 PolarHBondContact O-N 3.28Å
428L75.7Confident72.9Confident83 Ų8379 Ų7944%0.43540%0.4SS..THydrogen-bonded Turntrans-100.89.9179.8-62.9170.4000112.9L424 D426 R430L424-L428 WeakPolarHBondContact O-CB 3.37Å; L424-L428 PolarHBondContact O-N 3.24Å; D426-L428 VanDerWaalsContact C-N 3.35Å; D426-L428 PolarHBondContact O-N 3.02Å; L428-R430 PolarHBondContact O-N 3.09Å; L428-R430 VanDerWaalsContact O-N 3.1Å
429N75.7Confident70.4Confident154 Ų15477.8 Ų77.882%0.82439%0.394SS*.THydrogen-bonded Turntrans47.138.2179.7-153.2113.5000113.2C425 D426C425-N429 CarbonylContact O-C 3.52Å; C425-N429 WeakPolarHBondContact O-CA 3.28Å; C425-N429 PolarHBondContact O-N 2.81Å; D426-N429 PolarHBondContact O-N 3.33Å
430R70Confident68Low119 Ų11971.5 Ų71.545%0.44938%0.384SS..  trans-103.6144.2-179.7-78.2-163177.81737.8111.3E380 P381 C425 L428 N432E380-R430 VanDerWaalsContact CD-NH2 3.26Å; E380-R430 IonicContact OE1-CZ 3.96Å; E380-R430 IonicContact OE1-NH1 3.52Å; E380-R430 PolarHBondContact OE1-NH1 3.39Å; E380-R430 IonicContact OE1-NH2 3.94Å; E380-R430 PolarHBondContact OE1-NH2 2.96Å; E380-R430 IonicContact OE2-CZ 3.68Å; E380-R430 IonicContact OE2-NH1 3.85Å; E380-R430 PolarHBondContact OE2-NH1 3.21Å; E380-R430 IonicContact OE2-NH2 2.72Å; P381-R430 HydrophobicContact CG-CB 4.47Å; C425-R430 WeakPolarHBondContact CB-O 3.44Å; C425-R430 PolarHBondContact O-N 3.33Å; L428-R430 PolarHBondContact O-N 3.09Å; L428-R430 VanDerWaalsContact O-N 3.1Å; R430-N432 PolarHBondContact O-N 3.26Å
431E66.4Low65.9Low171 Ų17174.4 Ų74.480%0.79940%0.401SS*.  trans-59.3121.7172.1-65.7-177.917800110.8T433E431-T433 PolarHBondContact O-N 3.09Å
432N70.2Confident63.9Low28 Ų2879.1 Ų79.115%0.1542%0.424CS..  trans-68.598.8178-179.1-26.4000109.4H421 C425 R430 W434 N435 S436H421-N432 PolarHBondContact NE2-OD1 3.39Å; C425-N432 HydrophobicContact CB-CB 3.93Å; C425-N432 VanDerWaalsContact SG-CA 3.57Å; C425-N432 VanDerWaalsContact SG-CB 3.58Å; R430-N432 PolarHBondContact O-N 3.26Å; N432-W434 VanDerWaalsContact C-N 3.32Å; N432-W434 PolarHBondContact O-N 3.37Å; N432-W434 WeakPolarHBondContact OD1-CB 3.36Å; N432-W434 PolarHBondContact OD1-N 3.24Å; N432-N435 HydrophobicContact CB-CB 3.92Å; N432-N435 PolarHBondContact ND2-ND2 3.15Å; N432-N435 CarbonylContact O-C 3.56Å; N432-N435 WeakPolarHBondContact O-CA 3.44Å; N432-N435 VanDerWaalsContact O-CB 3.24Å; N432-N435 WeakPolarHBondContact O-CB 3.43Å; N432-N435 PolarHBondContact O-N 3.32Å; N432-N435 PolarHBondContact OD1-N 3.45Å; N432-S436 PolarHBondContact O-N 3.34Å
433T64.9Low61.8Low80 Ų8076.4 Ų76.449%0.49142%0.421SS..SBendtrans-76.1-18.2-177.735.40000113E431 S436 I437E431-T433 PolarHBondContact O-N 3.09Å; T433-S436 WeakPolarHBondContact O-CA 3.34Å; T433-S436 WeakPolarHBondContact O-CB 3.29Å; T433-S436 PolarHBondContact O-N 3.25Å; T433-I437 PolarHBondContact O-N 2.81Å
434W63.4Low59.8Low30 Ų3080.2 Ų80.211%0.11444%0.436CS..Hα-helixtrans-66.7-34.3164.5-61.76.9000109.4L382 R387 M417 H421 N432 S436 I437 G438L382-W434 HydrophobicContact CB-CH2 4.44Å; L382-W434 HydrophobicContact CB-CZ2 4.09Å; L382-W434 WeakPolarHBondContact O-CZ2 3.11Å; L382-W434 PolarHBondContact O-NE1 3.4Å; R387-W434 HydrophobicContact CB-CH2 3.93Å; R387-W434 HydrophobicContact CB-CZ2 3.72Å; R387-W434 VanDerWaalsContact CD-CH2 3.42Å; R387-W434 HydrophobicContact CG-CH2 3.69Å; R387-W434 HydrophobicContact CG-CZ2 3.96Å; R387-W434 HydrophobicContact CG-CZ3 4.34Å; M417-W434 HydrophobicContact CG-CH2 4.34Å; H421-W434 HydrophobicContact CB-CD2 4.46Å; H421-W434 HydrophobicContact CB-CE3 3.76Å; H421-W434 HydrophobicContact CB-CH2 3.75Å; H421-W434 HydrophobicContact CB-CZ2 4.45Å; H421-W434 HydrophobicContact CB-CZ3 3.36Å; H421-W434 AromaticContact CD2-CD2 3.7Å; H421-W434 AromaticContact CD2-CE3 3.66Å; H421-W434 AromaticContact CE1-CD1 3.61Å; H421-W434 AromaticContact CE1-CD2 3.46Å; H421-W434 VanDerWaalsContact CE1-CD2 3.46Å; H421-W434 AromaticContact CE1-CE2 3.32Å; H421-W434 AromaticContact CE1-CG 3.66Å; H421-W434 AromaticContact CE1-CZ2 3.83Å; H421-W434 AromaticContact CE1-NE1 3.38Å; H421-W434 PolarHBondContact CE1-NE1 2.87Å; H421-W434 AromaticContact CG-CD2 3.69Å; H421-W434 AromaticContact CG-CE2 3.94Å; H421-W434 AromaticContact CG-CE3 3.46Å; H421-W434 VanDerWaalsContact CG-CE3 3.46Å; H421-W434 AromaticContact CG-CH2 3.78Å; H421-W434 AromaticContact CG-CZ3 3.51Å; H421-W434 AromaticContact ND1-CD2 3.54Å; H421-W434 AromaticContact ND1-CE2 3.31Å; H421-W434 VanDerWaalsContact ND1-CE2 3.31Å; H421-W434 AromaticContact ND1-CE3 3.74Å; H421-W434 AromaticContact ND1-CH2 3.55Å; H421-W434 AromaticContact ND1-CZ2 3.34Å; H421-W434 VanDerWaalsContact ND1-CZ2 3.34Å; H421-W434 WeakPolarHBondContact ND1-CZ2 3.38Å; H421-W434 AromaticContact ND1-CZ3 3.75Å; H421-W434 AromaticContact ND1-NE1 3.84Å; H421-W434 AromaticContact NE2-CD1 3.78Å; H421-W434 AromaticContact NE2-CD2 3.56Å; H421-W434 AromaticContact NE2-CE2 3.93Å; H421-W434 AromaticContact NE2-CG 3.49Å; N432-W434 VanDerWaalsContact C-N 3.32Å; N432-W434 PolarHBondContact O-N 3.37Å; N432-W434 WeakPolarHBondContact OD1-CB 3.36Å; N432-W434 PolarHBondContact OD1-N 3.24Å; W434-S436 PolarHBondContact O-N 3.3Å; W434-I437 PolarHBondContact O-N 3.03Å; W434-G438 WeakPolarHBondContact O-CA 3.16Å; W434-G438 PolarHBondContact O-N 3.05Å
435N54.2Low57.9Low73 Ų7387.3 Ų87.339%0.3946%0.463SS..Hα-helixtrans-7821.6162.8-71.7-8.8000114.1N432 C439N432-N435 HydrophobicContact CB-CB 3.92Å; N432-N435 PolarHBondContact ND2-ND2 3.15Å; N432-N435 CarbonylContact O-C 3.56Å; N432-N435 WeakPolarHBondContact O-CA 3.44Å; N432-N435 VanDerWaalsContact O-CB 3.24Å; N432-N435 WeakPolarHBondContact O-CB 3.43Å; N432-N435 PolarHBondContact O-N 3.32Å; N432-N435 PolarHBondContact OD1-N 3.45Å; N435-C439 VanDerWaalsContact CA-CB 3.47Å; N435-C439 HydrophobicContact CB-CB 3.68Å; N435-C439 CarbonylContact O-C 3.57Å; N435-C439 WeakPolarHBondContact O-CA 3.41Å; N435-C439 WeakPolarHBondContact O-CB 3.31Å; N435-C439 PolarHBondContact OD1-SG 3.38Å
436S46.8Very low56.4Low69 Ų6994.1 Ų94.148%0.48350%0.495SS..Hα-helixtrans-122.2-30.5160.9-73.90000112.5N432 T433 W434 G440N432-S436 PolarHBondContact O-N 3.34Å; T433-S436 WeakPolarHBondContact O-CA 3.34Å; T433-S436 WeakPolarHBondContact O-CB 3.29Å; T433-S436 PolarHBondContact O-N 3.25Å; W434-S436 PolarHBondContact O-N 3.3Å; S436-G440 WeakPolarHBondContact O-CA 3.37Å; S436-G440 PolarHBondContact O-N 3.01Å
437I50Low55Low121 Ų12193.3 Ų93.362%0.62149%0.49SS*.Hα-helixtrans-81.4-38.4172.7-59.6175.2000110.7E384 T433 W434E384-I437 WeakPolarHBondContact OE2-CD1 3.39Å; T433-I437 PolarHBondContact O-N 2.81Å; W434-I437 PolarHBondContact O-N 3.03Å
438G40.3Very low53.8Low46 Ų4692.8 Ų92.847%0.47449%0.487SS..THydrogen-bonded Turntrans-87.4-47.5167.600000113W434 L441W434-G438 WeakPolarHBondContact O-CA 3.16Å; W434-G438 PolarHBondContact O-N 3.05Å; G438-L441 PolarHBondContact O-N 2.91Å
439C36Very low53.2Low29 Ų2995.5 Ų95.520%0.19650%0.498CS..G310 helixtrans-95.310.3-176.2-59.40000115.2N435 L441 M442 G443N435-C439 VanDerWaalsContact CA-CB 3.47Å; N435-C439 HydrophobicContact CB-CB 3.68Å; N435-C439 CarbonylContact O-C 3.57Å; N435-C439 WeakPolarHBondContact O-CA 3.41Å; N435-C439 WeakPolarHBondContact O-CB 3.31Å; N435-C439 PolarHBondContact OD1-SG 3.38Å; C439-L441 PolarHBondContact O-N 3.37Å; C439-M442 HydrophobicContact CB-CB 3.61Å; C439-M442 HydrophobicContact CB-CG 4.06Å; C439-M442 CarbonylContact O-C 3.58Å; C439-M442 PolarHBondContact O-N 3.3Å; C439-M442 VanDerWaalsContact SG-CG 3.57Å; C439-G443 PolarHBondContact O-N 3.3Å
440G35.3Very low52.7Low42 Ų4293.4 Ų93.443%0.43349%0.485SS..G310 helixtrans-59.7-17.8153.400000112.6S436S436-G440 WeakPolarHBondContact O-CA 3.37Å; S436-G440 PolarHBondContact O-N 3.01Å
441L42.7Very low52.9Low92 Ų9292.8 Ų92.848%0.48249%0.487SS..G310 helixtrans-94-11.9167.5-153.874.1000113.7G438 C439 R445G438-L441 PolarHBondContact O-N 2.91Å; C439-L441 PolarHBondContact O-N 3.37Å; L441-R445 VanDerWaalsContact O-CD 3.28Å; L441-R445 WeakPolarHBondContact O-CD 3.22Å; L441-R445 WeakPolarHBondContact O-CG 3.41Å; L441-R445 PolarHBondContact O-N 3.13Å
442M45.8Very low53.2Low102 Ų10289.6 Ų89.650%0.50247%0.472SS..THydrogen-bonded Turntrans-111.3-34.2-173.2-55.3-92.2-95.300113.8C439 K444 R445 Q446C439-M442 HydrophobicContact CB-CB 3.61Å; C439-M442 HydrophobicContact CB-CG 4.06Å; C439-M442 CarbonylContact O-C 3.58Å; C439-M442 PolarHBondContact O-N 3.3Å; C439-M442 VanDerWaalsContact SG-CG 3.57Å; M442-K444 VanDerWaalsContact C-N 3.28Å; M442-K444 PolarHBondContact O-N 2.74Å; M442-R445 CarbonylContact O-C 3.39Å; M442-R445 WeakPolarHBondContact O-CA 3.49Å; M442-R445 WeakPolarHBondContact O-CB 3.37Å; M442-R445 PolarHBondContact O-N 2.76Å; M442-Q446 PolarHBondContact O-N 3.02Å
443G41.6Very low53.5Low36 Ų3694.4 Ų94.437%0.37149%0.494SS..Hα-helixtrans-58.4-45.7163.100000110C439 R445 Q446 D447C439-G443 PolarHBondContact O-N 3.3Å; G443-R445 VanDerWaalsContact C-N 3.3Å; G443-R445 PolarHBondContact O-N 2.77Å; G443-Q446 PolarHBondContact O-N 2.9Å; G443-Q446 VanDerWaalsContact O-N 3.12Å; G443-D447 PolarHBondContact O-N 3.17Å
444K44.2Very low54.1Low161 Ų16196.8 Ų96.870%0.750%0.499SS*.Hα-helixtrans-64.4-25.1168.8-75.4-173.1177.1178.70114.4M442 H448M442-K444 VanDerWaalsContact C-N 3.28Å; M442-K444 PolarHBondContact O-N 2.74Å; K444-H448 WeakPolarHBondContact O-CB 3.1Å; K444-H448 PolarHBondContact O-N 3.07Å
445R46.3Very low54.8Low149 Ų149101.3 Ų101.356%0.56252%0.521SS*.Hα-helixtrans-74.7-37.6168.7-82.8163.5170.2-97.71.9111.8L441 M442 G443 H448 Q449L441-R445 VanDerWaalsContact O-CD 3.28Å; L441-R445 WeakPolarHBondContact O-CD 3.22Å; L441-R445 WeakPolarHBondContact O-CG 3.41Å; L441-R445 PolarHBondContact O-N 3.13Å; M442-R445 CarbonylContact O-C 3.39Å; M442-R445 WeakPolarHBondContact O-CA 3.49Å; M442-R445 WeakPolarHBondContact O-CB 3.37Å; M442-R445 PolarHBondContact O-N 2.76Å; G443-R445 VanDerWaalsContact C-N 3.3Å; G443-R445 PolarHBondContact O-N 2.77Å; R445-H448 PolarHBondContact O-N 3.32Å; R445-Q449 WeakPolarHBondContact O-CA 3.46Å; R445-Q449 WeakPolarHBondContact O-CB 3.4Å; R445-Q449 PolarHBondContact O-N 3.47Å
446Q50.5Low56Low148 Ų148104 Ų10469%0.69253%0.531SS*.Hα-helixtrans-69.5-44.8-180-163.3163.45.500110.8M442 G443 Q449 M450M442-Q446 PolarHBondContact O-N 3.02Å; G443-Q446 PolarHBondContact O-N 2.9Å; G443-Q446 VanDerWaalsContact O-N 3.12Å; Q446-Q449 PolarHBondContact O-N 3.46Å; Q446-M450 VanDerWaalsContact O-CB 3.23Å; Q446-M450 WeakPolarHBondContact O-CB 3.44Å; Q446-M450 PolarHBondContact O-N 3.07Å
447D52.9Low57.7Low102 Ų102105.6 Ų105.655%0.54553%0.534SS..Hα-helixtrans-62.7-43.7170.4-81.2-43.1000112.4G443 M450 Q451G443-D447 PolarHBondContact O-N 3.17Å; D447-M450 PolarHBondContact O-N 3.43Å; D447-Q451 WeakPolarHBondContact O-CB 3.41Å; D447-Q451 PolarHBondContact O-N 2.86Å
448H56.8Low59.2Low113 Ų113106.5 Ų106.552%0.52354%0.536SS..Hα-helixtrans-74.4-27.7-178.7-162.363.3000112.7K444 R445 Q452K444-H448 WeakPolarHBondContact O-CB 3.1Å; K444-H448 PolarHBondContact O-N 3.07Å; R445-H448 PolarHBondContact O-N 3.32Å; H448-Q452 WeakPolarHBondContact O-CB 3.48Å; H448-Q452 PolarHBondContact O-N 3.03Å
449Q62.3Low61.2Low141 Ų141110.4 Ų110.466%0.65954%0.542SS*.Hα-helixtrans-74-40.9171.9-174.217212.200110.9R445 Q446 Q452 Q453R445-Q449 WeakPolarHBondContact O-CA 3.46Å; R445-Q449 WeakPolarHBondContact O-CB 3.4Å; R445-Q449 PolarHBondContact O-N 3.47Å; Q446-Q449 PolarHBondContact O-N 3.46Å; Q449-Q452 PolarHBondContact O-N 3.28Å; Q449-Q453 VanDerWaalsContact O-CB 3.31Å; Q449-Q453 WeakPolarHBondContact O-CB 3.2Å; Q449-Q453 PolarHBondContact O-N 3.09Å
450M66.9Low63.5Low110 Ų110114.7 Ų114.754%0.54256%0.559SS.*Hα-helixtrans-64.8-41171.9-175.1165.660.300111.5Q446 D447 Q453 Q454Q446-M450 VanDerWaalsContact O-CB 3.23Å; Q446-M450 WeakPolarHBondContact O-CB 3.44Å; Q446-M450 PolarHBondContact O-N 3.07Å; D447-M450 PolarHBondContact O-N 3.43Å; M450-Q453 PolarHBondContact O-N 2.92Å; M450-Q454 VanDerWaalsContact O-CB 3.28Å; M450-Q454 WeakPolarHBondContact O-CB 3.26Å; M450-Q454 PolarHBondContact O-N 3.25Å
451Q73Confident65.8Low105 Ų105119.1 Ų119.149%0.49157%0.568SS.*Hα-helixtrans-67.6-38.1174.6-176.3172.478.900112.3D447 Q454 Q455D447-Q451 WeakPolarHBondContact O-CB 3.41Å; D447-Q451 PolarHBondContact O-N 2.86Å; Q451-Q454 PolarHBondContact O-N 3.01Å; Q451-Q455 WeakPolarHBondContact O-CB 3.41Å; Q451-Q455 WeakPolarHBondContact O-CG 3.49Å; Q451-Q455 PolarHBondContact O-N 2.77Å
452Q73.8Confident67.8Low105 Ų105119.7 Ų119.749%0.49157%0.571SS.*Hα-helixtrans-70.6-37.7175.9-172.8169.299.300111.7H448 Q449 Q455 Q456H448-Q452 WeakPolarHBondContact O-CB 3.48Å; H448-Q452 PolarHBondContact O-N 3.03Å; Q449-Q452 PolarHBondContact O-N 3.28Å; Q452-Q455 PolarHBondContact O-N 3.18Å; Q452-Q456 WeakPolarHBondContact O-CG 3.45Å; Q452-Q456 PolarHBondContact O-N 2.88Å
453Q75Confident69.5Low129 Ų129120.5 Ų120.560%0.60357%0.573SS**Hα-helixtrans-66-40.8171.4-172.4174.263.800111.5Q449 M450 Q456 L457Q449-Q453 VanDerWaalsContact O-CB 3.31Å; Q449-Q453 WeakPolarHBondContact O-CB 3.2Å; Q449-Q453 PolarHBondContact O-N 3.09Å; M450-Q453 PolarHBondContact O-N 2.92Å; Q453-Q456 PolarHBondContact O-N 3.43Å; Q453-L457 HydrophobicContact CG-CD1 4.22Å; Q453-L457 WeakPolarHBondContact O-CD1 3.37Å; Q453-L457 PolarHBondContact O-N 3.05Å
454Q78.7Confident71.3Confident130 Ų130123.8 Ų123.861%0.60758%0.579SS**Hα-helixtrans-65.1-37.9175.2-169.4175.697.900112.1M450 Q451 Q458M450-Q454 VanDerWaalsContact O-CB 3.28Å; M450-Q454 WeakPolarHBondContact O-CB 3.26Å; M450-Q454 PolarHBondContact O-N 3.25Å; Q451-Q454 PolarHBondContact O-N 3.01Å; Q454-Q458 WeakPolarHBondContact O-CB 3.42Å; Q454-Q458 PolarHBondContact O-N 2.86Å
455Q78.7Confident73Confident125 Ų125121.6 Ų121.658%0.58457%0.572SS**Hα-helixtrans-64.9-39171.6-77-178.911.600112.3Q451 Q452 Q458 H459Q451-Q455 WeakPolarHBondContact O-CB 3.41Å; Q451-Q455 WeakPolarHBondContact O-CG 3.49Å; Q451-Q455 PolarHBondContact O-N 2.77Å; Q452-Q455 PolarHBondContact O-N 3.18Å; Q455-Q458 PolarHBondContact O-N 3.32Å; Q455-H459 WeakPolarHBondContact O-CB 3.34Å; Q455-H459 PolarHBondContact O-N 3.13Å
456Q78.1Confident74.3Confident128 Ų128120 Ų12060%0.59857%0.57SS**Hα-helixtrans-64.2-43.9175.5-74.4179.511.200112.4Q452 Q453 Q458 H459 Q460Q452-Q456 WeakPolarHBondContact O-CG 3.45Å; Q452-Q456 PolarHBondContact O-N 2.88Å; Q453-Q456 PolarHBondContact O-N 3.43Å; Q456-Q458 VanDerWaalsContact C-N 3.35Å; Q456-Q458 PolarHBondContact O-N 3.2Å; Q456-H459 PolarHBondContact O-N 3.41Å; Q456-Q460 WeakPolarHBondContact O-CB 3.46Å; Q456-Q460 PolarHBondContact O-N 3.1Å
457L82.3Confident75.4Confident104 Ų104117.4 Ų117.455%0.54556%0.558SS.*Hα-helixtrans-61.2-42.2173.3-93.991.7000112.3Q453 Q460 Q461Q453-L457 HydrophobicContact CG-CD1 4.22Å; Q453-L457 WeakPolarHBondContact O-CD1 3.37Å; Q453-L457 PolarHBondContact O-N 3.05Å; L457-Q460 PolarHBondContact O-N 2.96Å; L457-Q461 PolarHBondContact O-N 3.4Å
458Q81.6Confident76.2Confident139 Ų139119 Ų11965%0.6556%0.562SS**Hα-helixtrans-67.9-37.5-179.3-161.9175.4108.300111.9Q454 Q455 Q456 L462Q454-Q458 WeakPolarHBondContact O-CB 3.42Å; Q454-Q458 PolarHBondContact O-N 2.86Å; Q455-Q458 PolarHBondContact O-N 3.32Å; Q456-Q458 VanDerWaalsContact C-N 3.35Å; Q456-Q458 PolarHBondContact O-N 3.2Å; Q458-L462 PolarHBondContact O-N 2.72Å; Q458-L462 VanDerWaalsContact O-N 3.09Å
459H82.4Confident76.6Confident129 Ų129118.8 Ų118.860%0.59756%0.562SS**Hα-helixtrans-66.4-40174-156.488.1000111.8Q455 Q456 L462 Q463Q455-H459 WeakPolarHBondContact O-CB 3.34Å; Q455-H459 PolarHBondContact O-N 3.13Å; Q456-H459 PolarHBondContact O-N 3.41Å; H459-L462 PolarHBondContact O-N 3.33Å; H459-Q463 WeakPolarHBondContact O-CB 3.18Å; H459-Q463 PolarHBondContact O-N 3.36Å
460Q83.9Confident76.6Confident119 Ų119117.4 Ų117.456%0.55656%0.555SS**Hα-helixtrans-65-40.1177.1-169.617996.900112.4Q456 L457 Q463 Q464Q456-Q460 WeakPolarHBondContact O-CB 3.46Å; Q456-Q460 PolarHBondContact O-N 3.1Å; L457-Q460 PolarHBondContact O-N 2.96Å; Q460-Q463 PolarHBondContact O-N 3.18Å; Q460-Q464 WeakPolarHBondContact O-CG 3.32Å; Q460-Q464 PolarHBondContact O-N 3.23Å; Q460-Q464 VanDerWaalsContact O-N 3.11Å
461Q84.3Confident76.2Confident135 Ų135116.4 Ų116.463%0.63156%0.556SS**Hα-helixtrans-64.5-42.7172.7-75.7-167.98.900112.3L457 Q463 Q464 Q465L457-Q461 PolarHBondContact O-N 3.4Å; Q461-Q463 VanDerWaalsContact C-N 3.3Å; Q461-Q463 PolarHBondContact O-N 2.85Å; Q461-Q464 PolarHBondContact O-N 3.08Å; Q461-Q465 WeakPolarHBondContact O-CB 3.36Å; Q461-Q465 PolarHBondContact O-N 2.85Å
462L84.5Confident75.5Confident103 Ų103119.1 Ų119.154%0.53957%0.568SS.*Hα-helixtrans-63.4-38.4179-16869.2000111.5Q458 H459 Q465 Q466Q458-L462 PolarHBondContact O-N 2.72Å; Q458-L462 VanDerWaalsContact O-N 3.09Å; H459-L462 PolarHBondContact O-N 3.33Å; L462-Q465 PolarHBondContact O-N 2.97Å; L462-Q466 PolarHBondContact O-N 2.81Å
463Q82.1Confident74.6Confident119 Ų119121 Ų12156%0.55658%0.577SS**Hα-helixtrans-64.6-48.7176.6-166.8164.34800111.7H459 Q460 Q461 Q465 Q466 E467H459-Q463 WeakPolarHBondContact O-CB 3.18Å; H459-Q463 PolarHBondContact O-N 3.36Å; Q460-Q463 PolarHBondContact O-N 3.18Å; Q461-Q463 VanDerWaalsContact C-N 3.3Å; Q461-Q463 PolarHBondContact O-N 2.85Å; Q463-Q465 VanDerWaalsContact C-N 3.28Å; Q463-Q465 PolarHBondContact O-N 2.88Å; Q463-Q466 PolarHBondContact O-N 3.01Å; Q463-Q466 VanDerWaalsContact O-N 3.16Å; Q463-E467 WeakPolarHBondContact O-CB 3.49Å; Q463-E467 PolarHBondContact O-N 3.5Å
464Q79.6Confident73.5Confident106 Ų106121.7 Ų121.750%0.49558%0.58SS.*Hα-helixtrans-59.1-37.5174.6-71.3-178.430.400112.7Q460 Q461 Q466 E467 Q468Q460-Q464 WeakPolarHBondContact O-CG 3.32Å; Q460-Q464 PolarHBondContact O-N 3.23Å; Q460-Q464 VanDerWaalsContact O-N 3.11Å; Q461-Q464 PolarHBondContact O-N 3.08Å; Q464-Q466 VanDerWaalsContact C-N 3.35Å; Q464-E467 PolarHBondContact O-N 2.96Å; Q464-Q468 WeakPolarHBondContact O-CG 3.44Å; Q464-Q468 PolarHBondContact O-N 3.36Å
465Q78.9Confident72Confident115 Ų115119.9 Ų119.954%0.53759%0.587SS.*Hα-helixtrans-71-31.5179.2-154.3177.7112.100112.4Q461 L462 Q463 Q469Q461-Q465 WeakPolarHBondContact O-CB 3.36Å; Q461-Q465 PolarHBondContact O-N 2.85Å; L462-Q465 PolarHBondContact O-N 2.97Å; Q463-Q465 VanDerWaalsContact C-N 3.28Å; Q463-Q465 PolarHBondContact O-N 2.88Å; Q465-Q469 WeakPolarHBondContact O-CG 3.47Å; Q465-Q469 PolarHBondContact O-N 3.32Å
466Q75.1Confident70.4Confident114 Ų114118.2 Ų118.253%0.53360%0.595SS.*Hα-helixtrans-73.7-38.2173.8-145.5174.8108.800111.7L462 Q463 Q464 Q469 Q470L462-Q466 PolarHBondContact O-N 2.81Å; Q463-Q466 PolarHBondContact O-N 3.01Å; Q463-Q466 VanDerWaalsContact O-N 3.16Å; Q464-Q466 VanDerWaalsContact C-N 3.35Å; Q466-Q469 PolarHBondContact O-N 3.22Å; Q466-Q470 PolarHBondContact O-N 3Å
467E72.3Confident68.8Low95 Ų95116.2 Ų116.244%0.44460%0.601SS.*Hα-helixtrans-64.2-40.6175.7-161168.7123.900111.7Q463 Q464 Q470 T471 Q1214Q463-E467 WeakPolarHBondContact O-CB 3.49Å; Q463-E467 PolarHBondContact O-N 3.5Å; Q464-E467 PolarHBondContact O-N 2.96Å; E467-Q470 PolarHBondContact O-N 3.5Å; E467-T471 WeakPolarHBondContact O-CB 3.48Å; E467-T471 PolarHBondContact O-N 3.42Å; E467-T471 PolarHBondContact O-OG1 3.18Å; E467-Q1214 PolarHBondContact OE1-NE2 3.14Å
468Q70.4Confident66.7Low134 Ų134118.8 Ų118.863%0.62662%0.615SS**Hα-helixtrans-63.9-38.9171.5-72.6-17925.900112.7Q464 Q472Q464-Q468 WeakPolarHBondContact O-CG 3.44Å; Q464-Q468 PolarHBondContact O-N 3.36Å; Q468-Q472 VanDerWaalsContact O-CB 3.29Å; Q468-Q472 WeakPolarHBondContact O-CB 3.3Å; Q468-Q472 PolarHBondContact O-N 2.77Å
469Q65.8Low64.5Low110 Ų110115.9 Ų115.951%0.51462%0.622SS.*Hα-helixtrans-69.7-38.9176.8-75.2-175.245.900113.1Q465 Q466 Q472 Q473Q465-Q469 WeakPolarHBondContact O-CG 3.47Å; Q465-Q469 PolarHBondContact O-N 3.32Å; Q466-Q469 PolarHBondContact O-N 3.22Å; Q469-Q472 PolarHBondContact O-N 3.37Å; Q469-Q473 WeakPolarHBondContact O-CG 3.04Å; Q469-Q473 PolarHBondContact O-N 2.92Å; Q469-Q473 VanDerWaalsContact O-N 3.07Å
470Q61.3Low62.4Low111 Ų111113.1 Ų113.152%0.51963%0.629SS.*Hα-helixtrans-65.5-44.3173.8-70.5-17119.900111.3Q466 E467 Q472 Q473 Q474Q466-Q470 PolarHBondContact O-N 3Å; E467-Q470 PolarHBondContact O-N 3.5Å; Q470-Q472 VanDerWaalsContact C-N 3.26Å; Q470-Q472 PolarHBondContact O-N 3.4Å; Q470-Q473 PolarHBondContact O-N 3.04Å; Q470-Q473 VanDerWaalsContact O-N 3.14Å; Q470-Q474 PolarHBondContact O-N 3.21Å
471T58.6Low60.3Low90 Ų90110.8 Ų110.855%0.55264%0.636SS**Hα-helixtrans-59.6-38176-51.90000111.6E467 A475E467-T471 WeakPolarHBondContact O-CB 3.48Å; E467-T471 PolarHBondContact O-N 3.42Å; E467-T471 PolarHBondContact O-OG1 3.18Å; T471-A475 WeakPolarHBondContact O-CB 3.37Å; T471-A475 PolarHBondContact O-N 3.25Å
472Q57.5Low58.4Low162 Ų162110.2 Ų110.276%0.75765%0.646SS**Hα-helixtrans-77.6-18.1179.3-167161.89700114.1Q468 Q469 Q470Q468-Q472 VanDerWaalsContact O-CB 3.29Å; Q468-Q472 WeakPolarHBondContact O-CB 3.3Å; Q468-Q472 PolarHBondContact O-N 2.77Å; Q469-Q472 PolarHBondContact O-N 3.37Å; Q470-Q472 VanDerWaalsContact C-N 3.26Å; Q470-Q472 PolarHBondContact O-N 3.4Å
473Q55.4Low56.3Low145 Ų145112.1 Ų112.168%0.67866%0.655SS**Hα-helixtrans-94.6-31.5173.4-70.1-176.613.900113.2Q469 Q470Q469-Q473 WeakPolarHBondContact O-CG 3.04Å; Q469-Q473 PolarHBondContact O-N 2.92Å; Q469-Q473 VanDerWaalsContact O-N 3.07Å; Q470-Q473 PolarHBondContact O-N 3.04Å; Q470-Q473 VanDerWaalsContact O-N 3.14Å
474Q52.4Low54.2Low143 Ų143112.2 Ų112.267%0.66867%0.666SS**Hα-helixtrans-76.7-24175.8-72.5178.4-19.200113.1Q470 A476 A477Q470-Q474 PolarHBondContact O-N 3.21Å; Q474-A476 PolarHBondContact O-N 3.45Å; Q474-A477 PolarHBondContact O-N 2.98Å
475A47.6Very low52.8Low91 Ų91112.3 Ų112.375%0.75268%0.679SS**THydrogen-bonded Turntrans-66.13172.700000115.2T471T471-A475 WeakPolarHBondContact O-CB 3.37Å; T471-A475 PolarHBondContact O-N 3.25Å
476A44.8Very low51Low91 Ų91113.9 Ų113.975%0.75269%0.69SS**THydrogen-bonded Turntrans-120.34.8-177.200000114.5Q474Q474-A476 PolarHBondContact O-N 3.45Å
477A44.2Very low49.6Very low86 Ų86115.2 Ų115.271%0.71170%0.7SS**SBendtrans-128.1-6.4-161.700000117Q474Q474-A477 PolarHBondContact O-N 2.98Å
478D38.6Very low48.4Very low157 Ų157118 Ų11884%0.8472%0.718SS**  trans-111103.8-175-149.5-26.2000112.1
479G35.6Very low47.1Very low79 Ų79119.6 Ų119.681%0.81473%0.727SS**  trans-145.554.1-165.800000112.8
480G36.8Very low46.1Very low71 Ų71119.6 Ų119.673%0.73273%0.734SS**  trans89.4150-175.500000112.6
481G40Very low45.5Very low69 Ų69121.9 Ų121.971%0.71175%0.749SS**  cis150.7154.11.700000110.6
482C44.3Very low44.4Very low124 Ų124123.3 Ų123.384%0.83875%0.753SS**  trans66.2152.6-172.8-65.10000114.7
483I40.4Very low43.7Very low142 Ų142121 Ų12173%0.72875%0.752SS**  cis-152.2144.9-11.2-106.8156.4000106.9
484P39.4Very low43.1Very low122 Ų122119.1 Ų119.179%0.79275%0.752SS**  trans-85.2136.7167.433.2-31.7000112.3
485S50.3Low42.1Very low108 Ų108119.8 Ų119.876%0.75576%0.76SS**  trans-86.4116.8172.5-175.40000109.2
486L41.3Very low41.2Very low148 Ų148119.6 Ų119.678%0.77575%0.753SS**  74.2120.374.8-154.891.3000112
487L44.4Very low40.5Very low141 Ų141123.5 Ų123.574%0.73876%0.756SS**  trans70.1126.1-163-67.371.5000113.1
488D47.1Very low39.8Very low153 Ų153124.3 Ų124.382%0.81875%0.748SS**  cis-122.7117.1-4.9-84.6-32.1000112.5
489M43.4Very low39.4Very low169 Ų169125.4 Ų125.483%0.83375%0.745SS**  trans-95.7170.1160.2175.8170.953.500107.6
490V45.6Very low39.1Very low109 Ų109131.9 Ų131.966%0.66175%0.745SS**  trans81126.4-171.3-173.40000111
491I47.2Very low38.7Very low159 Ų159137.3 Ų137.382%0.81575%0.749SS**SBendcis-111.8108.313.9-60.2173.2000108.6
492N35.5Very low38.3Very low121 Ų121139 Ų13965%0.64775%0.749SS**  81.614081.6-91.2-17.4000115.5
493P43Very low37.8Very low113 Ų113145 Ų14573%0.73475%0.754SS**  -124.8-110.8-126.5250.8000116.2
494P44.4Very low37.3Very low105 Ų105148 Ų14868%0.68276%0.757SS**  trans-112.8-144.6-137.940.1-20.7000111.7
495L29.9Very low37.3Very low158 Ų158148 Ų14883%0.82776%0.755SS**  trans80.5131.4-173.9-51.5170.5000112.3
496S29.7Very low36.6Very low87 Ų87151.6 Ų151.661%0.60876%0.759SS**  cis139131-7.356.70000106.7
497E29.6Very low36.2Very low173 Ų173152.8 Ų152.881%0.80876%0.758SS**  trans70165168.9-50.2-164.5130.600119.5
498N28.7Very low35.4Very low102 Ų102154.4 Ų154.455%0.54576%0.764SS.*  trans85.988.6156-66.6-67.9000120.8
499K30.3Very low34.5Very low180 Ų180150.6 Ų150.678%0.78376%0.761SS**  82.1104.5125.9-65.2156-178.9145.10120.2
500R29.4Very low33.7Very low216 Ų216147.4 Ų147.482%0.81576%0.761SS**  99.9121.2123.5-152.4179.1-167.5-167.84.3118.2
501K29.2Very low32.8Very low185 Ų185152.2 Ų152.280%0.80477%0.773SS**  trans79.7133.9-178.7-52.2166-177.8176.40112.8
502S31.6Very low31.8Very low104 Ų104148.9 Ų148.973%0.72777%0.77SS**SBendcis-146.1149.96.454.10000113.1
503R32.9Very low31.5Very low251 Ų251147.9 Ų147.995%0.94778%0.778SS**  trans48.395.5175.5-84.3-177.2164164.7-5.3115.1
504W31Very low30.9Very low204 Ų204147.7 Ų147.777%0.77379%0.786SS**  trans-91156-165.9-71.770.9000114.5
505T38.3Very low30.3Very low123 Ų123146.3 Ų146.376%0.75579%0.791SS**  trans-80.2-174.8179.651.10000113.4
506E37.3Very low30.4Very low182 Ų182143.9 Ų143.985%0.8579%0.794SS**  trans-27.5152164.5-46.8171.2110.600116.8
507K31.4Very low30.4Very low174 Ų174145 Ų14576%0.75781%0.808SS**  168.9117.9115.7-179.4168.3-175.3171.30114.7
508M29.1Very low30.5Very low175 Ų175140.3 Ų140.386%0.86281%0.807SS**  trans58166.6152.6-65.2171.3173.300120.5
509G27.7Very low30.6Very low72 Ų72140.9 Ų140.974%0.74282%0.818SS**  trans95.679.4168.400000114.1
510A25.5Very low30.6Very low102 Ų102137.6 Ų137.684%0.84382%0.818SS**  74.613065.900000115.7
511K26.3Very low30.6Very low210 Ų210134.2 Ų134.291%0.91381%0.812SS**  trans92.3133.9154.5-151.3175-174.2177.60119.1
512A27.5Very low30.8Very low90 Ų90135.2 Ų135.274%0.74481%0.81SS**  trans82.891.115800000121.4
513A29Very low30.8Very low99 Ų99136.9 Ų136.982%0.81881%0.811SS**  89.3127.9112.900000122.4
514A30.7Very low30.7Very low110 Ų110129.1 Ų129.191%0.90980%0.795SS**  trans62.4126.9155.900000119.7
515G31.2Very low30.8Very low75 Ų75125.2 Ų125.277%0.77379%0.794SS**  cis172.9163.7-9.200000116.2
516A31.2Very low30.7Very low108 Ų108124.3 Ų124.389%0.89379%0.793SS**  trans59.7102.6154.400000120.8
517A29.7Very low30.7Very low109 Ų109120.6 Ų120.690%0.90179%0.785SS**  178.5145.5110.300000111.5
518G31.5Very low30.7Very low76 Ų76119.7 Ų119.778%0.78479%0.788SS**  trans107.9101.2163.200000117.5
519S31.2Very low31.1Very low113 Ų113115.8 Ų115.879%0.7978%0.783SS**  trans-35.5155.3154.346.20000116.7
520S31.1Very low31.8Very low111 Ų111122 Ų12278%0.77679%0.79SS**  cis-172141.4-7.1-87.40000108.5
521E29.9Very low32.3Very low146 Ų146123.4 Ų123.468%0.68279%0.791SS**  trans-168.8151.1165.5-101.1-113.687.100113.4
522R33.5Very low33Very low205 Ų205120.1 Ų120.177%0.77478%0.782SS**  trans66.5125.2157-64.7167.4-155.1-135.1-3.1122.4
523D29.9Very low34.2Very low139 Ų139118.5 Ų118.574%0.74376%0.764SS**  -117.3172.393.3-155.242.1000106.5
524S32Very low35.6Very low88 Ų88118.1 Ų118.162%0.61575%0.753SS**  cis-149.1168.815.6-51.90000113.3
525T32.3Very low37Very low123 Ų123117 Ų11776%0.75573%0.729SS**  trans12129.9130.5-53.50000117.7
526S37.9Very low38.4Very low104 Ų104114.9 Ų114.973%0.72770%0.7SS**  cis-163.6-156.3-4.758.80000110.5
527P37.3Very low40.2Very low104 Ų104113.4 Ų113.468%0.67568%0.677SS**  -134.4171.7-117.439.6-17.1000119.5
528D31.3Very low41.9Very low155 Ų155108.3 Ų108.383%0.82964%0.635SS**  trans62.1104.4151.9-63.9-37.5000122.2
529A37Very low43.7Very low92 Ų92108.2 Ų108.276%0.7663%0.626SS**  -177108.29200000114.5
530K41.2Very low45.4Very low202 Ų202107.4 Ų107.488%0.87861%0.613SS**  trans57.1119.9161.6-61.5178.9-179.4176.50118.9
531P37.5Very low47.1Very low133 Ų133103 Ų10386%0.86458%0.58SS**PPolyproline II helixtrans-80.1143.6176.233.4-34.5000113.1
532L40.1Very low48.7Very low141 Ų14199.8 Ų99.874%0.73857%0.574SS**PPolyproline II helixtrans-88157.2164.1-75.8168.8000110.4
533P52.8Low50.3Low55 Ų5599 Ų9936%0.35758%0.579SS.*PPolyproline II helixtrans-74.8144-172.931-36.6000112.4H535 L536P533-H535 VanDerWaalsContact CG-CE1 3.46Å; P533-H535 WeakPolarHBondContact CG-CE1 3.24Å; P533-H535 PolarHBondContact O-N 3.07Å; P533-H535 VanDerWaalsContact O-N 3.09Å; P533-L536 HydrophobicContact CG-CD1 4.01Å; P533-L536 PolarHBondContact O-N 3.08Å
534P59.2Low52Low91 Ų9194 Ų9459%0.59155%0.554SS**G310 helixtrans-67-15.1-169.625.8-35.3000114.8L536 D537 N540P534-L536 PolarHBondContact O-N 3.29Å; P534-D537 PolarHBondContact O-N 3.38Å; P534-N540 PolarHBondContact O-ND2 3.43Å
535H58.5Low53.6Low88 Ų8890 Ų9041%0.40753%0.525SS..G310 helixtrans-71.6-5.8-179.276.1-77000114.4P533 A592P533-H535 VanDerWaalsContact CG-CE1 3.46Å; P533-H535 WeakPolarHBondContact CG-CE1 3.24Å; P533-H535 PolarHBondContact O-N 3.07Å; P533-H535 VanDerWaalsContact O-N 3.09Å; H535-A592 PolarHBondContact NE2-O 2.96Å
536L61.7Low55.8Low29 Ų2986.7 Ų86.715%0.15251%0.507CS..G310 helixtrans-99.6-11.3179.3-63.6172.5000114.1P533 P534 N560 L561 A592P533-L536 HydrophobicContact CG-CD1 4.01Å; P533-L536 PolarHBondContact O-N 3.08Å; P534-L536 PolarHBondContact O-N 3.29Å; L536-N560 PolarHBondContact O-ND2 2.7Å; L536-L561 HydrophobicContact CD2-CB 4.39Å; L536-L561 HydrophobicContact CD2-CD2 4.04Å; L536-L561 WeakPolarHBondContact O-CB 3.46Å; L536-L561 PolarHBondContact O-N 2.8Å; L536-A592 HydrophobicContact CD2-CB 3.87Å
537D68.2Low57.7Low77 Ų7785.5 Ų85.541%0.41250%0.504SS..BIsolated β-bridgetrans-78.1136.6176.2-76-23.7000111.2P534 A539 N540P534-D537 PolarHBondContact O-N 3.38Å; D537-A539 PolarHBondContact O-N 2.99Å; D537-A539 VanDerWaalsContact O-N 3.07Å; D537-N540 PolarHBondContact O-N 3.09Å
538L66.2Low59.7Low3 Ų386.7 Ų86.72%0.01650%0.5CS..G310 helixtrans-55.7-30.6-179.5-69.8177.7000113.4N540 L541 L545 L553 I558 T559L538-N540 PolarHBondContact O-N 3.32Å; L538-L541 HydrophobicContact CD2-CD1 4.07Å; L538-L541 PolarHBondContact O-N 3.22Å; L538-L545 HydrophobicContact CD2-CD1 3.86Å; L538-L553 HydrophobicContact CD1-CB 3.67Å; L538-L553 HydrophobicContact CD1-CD1 3.97Å; L538-L553 HydrophobicContact CD1-CG 4.44Å; L538-L553 HydrophobicContact CD2-CD1 3.93Å; L538-I558 HydrophobicContact CD1-CG2 4.34Å; L538-I558 WeakPolarHBondContact CD1-O 3.16Å; L538-T559 WeakPolarHBondContact CG-O 3.47Å; L538-T559 PolarHBondContact N-O 2.88Å
539A68.4Low61.7Low73 Ų7379.9 Ų79.960%0.60346%0.463SS*.G310 helixtrans-57.3-30.117700000113.6D537 S542D537-A539 PolarHBondContact O-N 2.99Å; D537-A539 VanDerWaalsContact O-N 3.07Å; A539-S542 PolarHBondContact O-OG 3.13Å
540N67Low63.4Low97 Ų9776.8 Ų76.852%0.51943%0.434SS..G310 helixtrans-91-3.5179.4-63.6-58.1000113P534 D537 L538 S542P534-N540 PolarHBondContact O-ND2 3.43Å; D537-N540 PolarHBondContact O-N 3.09Å; L538-N540 PolarHBondContact O-N 3.32Å; N540-S542 VanDerWaalsContact C-N 3.33Å
541L66.4Low65.3Low17 Ų1769.4 Ų69.49%0.08941%0.411CS..G310 helixtrans-94.518.1173.5-71.4162.8000112.7L538 H543 V544 L545 L561L538-L541 HydrophobicContact CD2-CD1 4.07Å; L538-L541 PolarHBondContact O-N 3.22Å; L541-H543 PolarHBondContact O-N 3.05Å; L541-H543 VanDerWaalsContact O-N 3.11Å; L541-V544 HydrophobicContact CD2-CB 4.48Å; L541-V544 HydrophobicContact CD2-CG2 4.12Å; L541-V544 WeakPolarHBondContact O-CA 3.47Å; L541-V544 WeakPolarHBondContact O-CB 3.48Å; L541-V544 PolarHBondContact O-N 2.82Å; L541-L545 HydrophobicContact CB-CD1 4.33Å; L541-L545 PolarHBondContact O-N 3.29Å; L541-L561 HydrophobicContact CD1-CB 4.44Å; L541-L561 HydrophobicContact CD1-CD1 3.94Å; L541-L561 HydrophobicContact CD1-CD2 4.24Å; L541-L561 HydrophobicContact CD1-CG 4.44Å
542S65.2Low67.2Low79 Ų7965.7 Ų65.755%0.55238%0.381SS*.THydrogen-bonded Turntrans-64.4-11.3-179.449.40000115.6A539 N540A539-S542 PolarHBondContact O-OG 3.13Å; N540-S542 VanDerWaalsContact C-N 3.33Å
543H66.8Low68.9Low189 Ų18959 Ų5988%0.87535%0.346SS*.THydrogen-bonded Turntrans-91.12.7169.6-165.521.9000113.1L541L541-H543 PolarHBondContact O-N 3.05Å; L541-H543 VanDerWaalsContact O-N 3.11Å
544V65.4Low70.3Confident35 Ų3560.5 Ų60.521%0.21235%0.351CS..THydrogen-bonded Turntrans-128.4-40.1-172.2-175.20000111.4L541 I585 K588L541-V544 HydrophobicContact CD2-CB 4.48Å; L541-V544 HydrophobicContact CD2-CG2 4.12Å; L541-V544 WeakPolarHBondContact O-CA 3.47Å; L541-V544 WeakPolarHBondContact O-CB 3.48Å; L541-V544 PolarHBondContact O-N 2.82Å; V544-I585 HydrophobicContact CG1-CG1 4.11Å; V544-K588 HydrophobicContact CB-CD 4.4Å; V544-K588 HydrophobicContact CG1-CD 3.66Å; V544-K588 HydrophobicContact CG2-CD 3.83Å
545L65.8Low71.2Confident4 Ų464.8 Ų64.82%0.02136%0.36CS..SBendtrans-110.8136.7177.5-79.9159.3000109.5L538 L541 N549 M550 L553 L577 I585L538-L545 HydrophobicContact CD2-CD1 3.86Å; L541-L545 HydrophobicContact CB-CD1 4.33Å; L541-L545 PolarHBondContact O-N 3.29Å; L545-N549 HydrophobicContact CD2-CB 3.97Å; L545-M550 HydrophobicContact CB-CG 3.69Å; L545-M550 HydrophobicContact CB-SD 4.46Å; L545-M550 HydrophobicContact CD1-CG 4.33Å; L545-L553 HydrophobicContact CD1-CD1 3.7Å; L545-L553 HydrophobicContact CD2-CD1 4.03Å; L545-L577 HydrophobicContact CD2-CD2 3.41Å; L545-L577 VanDerWaalsContact CD2-CD2 3.41Å; L545-I585 HydrophobicContact CD1-CD1 4.23Å; L545-I585 HydrophobicContact CD1-CG1 4.47Å; L545-I585 HydrophobicContact CD2-CD1 3.57Å; L545-I585 HydrophobicContact CD2-CG1 4.43Å; L545-I585 HydrophobicContact CG-CD1 3.94Å; L545-I585 HydrophobicContact CG-CG1 4.28Å
546S77.9Confident71.8Confident53 Ų5364.7 Ų64.737%0.37136%0.362SS..  trans-63.2153.917074.90000110.8E548 N549 M550S546-E548 PolarHBondContact O-N 3.22Å; S546-N549 PolarHBondContact O-N 3.34Å; S546-N549 WeakPolarHBondContact OG-CB 3.13Å; S546-N549 VanDerWaalsContact OG-CG 3.23Å; S546-N549 PolarHBondContact OG-N 3.2Å; S546-M550 PolarHBondContact O-N 3.09Å
547A78.6Confident72.6Confident79 Ų7965.8 Ų65.865%0.65338%0.381SS*.Hα-helixtrans-56.3-32.4174.700000112.6M550 A551A547-M550 HydrophobicContact CB-CE 4.37Å; A547-A551 WeakPolarHBondContact O-CB 3.44Å; A547-A551 PolarHBondContact O-N 3.46Å; A547-A551 VanDerWaalsContact O-N 3.12Å
548E78.8Confident72.9Confident128 Ų12862.3 Ų62.360%0.59836%0.362SS*.Hα-helixtrans-68.6-43.4174.9-152.9-164124.300111.9S546 A551 K552S546-E548 PolarHBondContact O-N 3.22Å; E548-A551 WeakPolarHBondContact O-CB 3.48Å; E548-A551 PolarHBondContact O-N 3.26Å; E548-K552 WeakPolarHBondContact O-CG 3.45Å; E548-K552 PolarHBondContact O-N 3.38Å; E548-K552 WeakPolarHBondContact OE1-CE 3.49Å; E548-K552 IonicContact OE1-NZ 3.39Å; E548-K552 PolarHBondContact OE1-NZ 3.17Å
549N72.8Confident73.5Confident12 Ų1265.5 Ų65.56%0.06438%0.382CS..Hα-helixtrans-74-33.4-179.1-70.1-3.2000111.8L545 S546 A551 K552 L553 L577 E581L545-N549 HydrophobicContact CD2-CB 3.97Å; S546-N549 PolarHBondContact O-N 3.34Å; S546-N549 WeakPolarHBondContact OG-CB 3.13Å; S546-N549 VanDerWaalsContact OG-CG 3.23Å; S546-N549 PolarHBondContact OG-N 3.2Å; N549-A551 VanDerWaalsContact C-N 3.31Å; N549-A551 PolarHBondContact O-N 3.05Å; N549-K552 PolarHBondContact O-N 2.93Å; N549-K552 PolarHBondContact OD1-NZ 2.92Å; N549-L553 WeakPolarHBondContact O-CG 3.41Å; N549-L553 PolarHBondContact O-N 3.21Å; N549-L577 HydrophobicContact CB-CD2 3.82Å; N549-E581 PolarHBondContact ND2-OE1 2.98Å
550M73.9Confident74Confident27 Ų2763.1 Ų63.113%0.13336%0.359CS..Hα-helixtrans-60.2-39.5165.7-71.6-175.6-73.200112L545 S546 A547 N554L545-M550 HydrophobicContact CB-CG 3.69Å; L545-M550 HydrophobicContact CB-SD 4.46Å; L545-M550 HydrophobicContact CD1-CG 4.33Å; S546-M550 PolarHBondContact O-N 3.09Å; A547-M550 HydrophobicContact CB-CE 4.37Å; M550-N554 PolarHBondContact O-N 3.33Å; M550-N554 PolarHBondContact O-ND2 2.97Å
551A80.1Confident74.3Confident48 Ų4858.6 Ų58.640%0.39734%0.335SS..Hα-helixtrans-69.6-32.8176.100000113A547 E548 N549 K555A547-A551 WeakPolarHBondContact O-CB 3.44Å; A547-A551 PolarHBondContact O-N 3.46Å; A547-A551 VanDerWaalsContact O-N 3.12Å; E548-A551 WeakPolarHBondContact O-CB 3.48Å; E548-A551 PolarHBondContact O-N 3.26Å; N549-A551 VanDerWaalsContact C-N 3.31Å; N549-A551 PolarHBondContact O-N 3.05Å; A551-K555 WeakPolarHBondContact O-CG 3.32Å; A551-K555 PolarHBondContact O-N 3.25Å; A551-K555 VanDerWaalsContact O-N 3.13Å
552K78.4Confident74.8Confident55 Ų5562 Ų6224%0.23935%0.35CS..Hα-helixtrans-69-42.3173.5-66.6169.3-157161.50111.9E548 N549 K555 L556 A575E548-K552 WeakPolarHBondContact O-CG 3.45Å; E548-K552 PolarHBondContact O-N 3.38Å; E548-K552 WeakPolarHBondContact OE1-CE 3.49Å; E548-K552 IonicContact OE1-NZ 3.39Å; E548-K552 PolarHBondContact OE1-NZ 3.17Å; N549-K552 PolarHBondContact O-N 2.93Å; N549-K552 PolarHBondContact OD1-NZ 2.92Å; K552-K555 WeakPolarHBondContact O-CB 3.49Å; K552-K555 PolarHBondContact O-N 3.03Å; K552-L556 PolarHBondContact O-N 3.01Å; K552-A575 WeakPolarHBondContact CB-O 3.39Å; K552-A575 WeakPolarHBondContact CD-O 3.34Å
553L75.6Confident75.2Confident0 Ų061.7 Ų61.70%034%0.34CS..Hα-helixtrans-60.8-46173.4-75170000112.1L538 L545 N549 K555 L556 G557 I558 M564 L572 L577L538-L553 HydrophobicContact CD1-CB 3.67Å; L538-L553 HydrophobicContact CD1-CD1 3.97Å; L538-L553 HydrophobicContact CD1-CG 4.44Å; L538-L553 HydrophobicContact CD2-CD1 3.93Å; L545-L553 HydrophobicContact CD1-CD1 3.7Å; L545-L553 HydrophobicContact CD2-CD1 4.03Å; N549-L553 WeakPolarHBondContact O-CG 3.41Å; N549-L553 PolarHBondContact O-N 3.21Å; L553-K555 VanDerWaalsContact C-N 3.28Å; L553-K555 PolarHBondContact O-N 3.28Å; L553-L556 WeakPolarHBondContact O-CA 3.43Å; L553-L556 PolarHBondContact O-N 3.09Å; L553-G557 PolarHBondContact O-N 3.03Å; L553-I558 CarbonylContact C-O 3.59Å; L553-I558 HydrophobicContact CB-CB 4.3Å; L553-I558 HydrophobicContact CD2-CB 4.25Å; L553-I558 HydrophobicContact CD2-CD1 3.52Å; L553-I558 HydrophobicContact CD2-CG2 4.21Å; L553-I558 WeakPolarHBondContact O-CB 3.36Å; L553-I558 PolarHBondContact O-N 3.02Å; L553-I558 VanDerWaalsContact O-N 3.09Å; L553-M564 HydrophobicContact CD2-CG 4.25Å; L553-L572 HydrophobicContact CD2-CD2 4.22Å; L553-L577 HydrophobicContact CD1-CD1 4.45Å; L553-L577 HydrophobicContact CD2-CD1 3.94Å; L553-L577 HydrophobicContact CG-CD1 4.34Å
554N80.7Confident75.3Confident87 Ų8752.8 Ų52.847%0.46530%0.298SS..Hα-helixtrans-61.3-33.9175.6-83.5-88.5000112.6M550 L556 G557M550-N554 PolarHBondContact O-N 3.33Å; M550-N554 PolarHBondContact O-ND2 2.97Å; N554-L556 PolarHBondContact O-N 3.45Å; N554-G557 PolarHBondContact O-N 2.93Å; N554-G557 VanDerWaalsContact O-N 3.08Å
555K79.9Confident75.7Confident181 Ų18154.8 Ų54.879%0.78731%0.308SS*.Hα-helixtrans-66.2-23.6173.2-76.9172.9179-179.80113.7A551 K552 L553 G557A551-K555 WeakPolarHBondContact O-CG 3.32Å; A551-K555 PolarHBondContact O-N 3.25Å; A551-K555 VanDerWaalsContact O-N 3.13Å; K552-K555 WeakPolarHBondContact O-CB 3.49Å; K552-K555 PolarHBondContact O-N 3.03Å; L553-K555 VanDerWaalsContact C-N 3.28Å; L553-K555 PolarHBondContact O-N 3.28Å; K555-G557 VanDerWaalsContact C-N 3.32Å
556L70.1Confident76.1Confident86 Ų8661.5 Ų61.545%0.4534%0.339SS..THydrogen-bonded Turntrans-88.96.3172.3-67.7-179.6000113.2K552 L553 N554 I558 A575K552-L556 PolarHBondContact O-N 3.01Å; L553-L556 WeakPolarHBondContact O-CA 3.43Å; L553-L556 PolarHBondContact O-N 3.09Å; N554-L556 PolarHBondContact O-N 3.45Å; L556-I558 HydrophobicContact CB-CD1 3.96Å; L556-I558 HydrophobicContact CB-CG1 4.14Å; L556-I558 HydrophobicContact CD1-CD1 4.28Å; L556-I558 PolarHBondContact O-N 2.91Å; L556-A575 HydrophobicContact CD1-CB 3.7Å
557G78.3Confident75.9Confident52 Ų5260.5 Ų60.554%0.53633%0.331SS..THydrogen-bonded Turntrans749.5-176.200000114.2L553 N554 K555 T559L553-G557 PolarHBondContact O-N 3.03Å; N554-G557 PolarHBondContact O-N 2.93Å; N554-G557 VanDerWaalsContact O-N 3.08Å; K555-G557 VanDerWaalsContact C-N 3.32Å; G557-T559 PolarHBondContact O-N 3.06Å
558I74.3Confident76Confident3 Ų360.3 Ų60.32%0.01532%0.322CS..  trans-85.2107.8174.9-53163.7000107L538 L553 L556 Q563 M564 V567 L572L538-I558 HydrophobicContact CD1-CG2 4.34Å; L538-I558 WeakPolarHBondContact CD1-O 3.16Å; L553-I558 CarbonylContact C-O 3.59Å; L553-I558 HydrophobicContact CB-CB 4.3Å; L553-I558 HydrophobicContact CD2-CB 4.25Å; L553-I558 HydrophobicContact CD2-CD1 3.52Å; L553-I558 HydrophobicContact CD2-CG2 4.21Å; L553-I558 WeakPolarHBondContact O-CB 3.36Å; L553-I558 PolarHBondContact O-N 3.02Å; L553-I558 VanDerWaalsContact O-N 3.09Å; L556-I558 HydrophobicContact CB-CD1 3.96Å; L556-I558 HydrophobicContact CB-CG1 4.14Å; L556-I558 HydrophobicContact CD1-CD1 4.28Å; L556-I558 PolarHBondContact O-N 2.91Å; I558-Q563 HydrophobicContact CG2-CB 4.05Å; I558-M564 HydrophobicContact CG2-CB 3.95Å; I558-V567 HydrophobicContact CD1-CB 4.27Å; I558-V567 HydrophobicContact CD1-CG1 4.31Å; I558-V567 HydrophobicContact CD1-CG2 3.86Å; I558-V567 HydrophobicContact CG1-CG2 4.05Å; I558-L572 HydrophobicContact CD1-CD2 4.08Å
559T78.6Confident76.1Confident71 Ų7159 Ų5944%0.43632%0.315SS..  trans-106.4-21.8173.459.90000112.5L538 G557 Q563L538-T559 WeakPolarHBondContact CG-O 3.47Å; L538-T559 PolarHBondContact N-O 2.88Å; G557-T559 PolarHBondContact O-N 3.06Å; T559-Q563 PolarHBondContact OG1-OE1 3.18Å
560N79.1Confident76.5Confident22 Ų2260.2 Ų60.212%0.11833%0.33CS..BIsolated β-bridgetrans-124.1148.2-174.6-168-82.6000112.7L536 E562 Q563 M564L536-N560 PolarHBondContact O-ND2 2.7Å; N560-E562 PolarHBondContact O-N 3.05Å; N560-E562 PolarHBondContact OD1-N 2.75Å; N560-Q563 HydrophobicContact CB-CG 4.41Å; N560-Q563 WeakPolarHBondContact O-CB 3.24Å; N560-Q563 PolarHBondContact O-N 3.06Å; N560-Q563 VanDerWaalsContact O-N 3.09Å; N560-M564 PolarHBondContact O-N 3.48Å
561L73.9Confident76.7Confident3 Ų363.4 Ų63.42%0.01635%0.345CS..Hα-helixtrans-55.6-32.4178.2-17055.4000113.8L536 L541 M564 I585 A589 A592L536-L561 HydrophobicContact CD2-CB 4.39Å; L536-L561 HydrophobicContact CD2-CD2 4.04Å; L536-L561 WeakPolarHBondContact O-CB 3.46Å; L536-L561 PolarHBondContact O-N 2.8Å; L541-L561 HydrophobicContact CD1-CB 4.44Å; L541-L561 HydrophobicContact CD1-CD1 3.94Å; L541-L561 HydrophobicContact CD1-CD2 4.24Å; L541-L561 HydrophobicContact CD1-CG 4.44Å; L561-M564 PolarHBondContact O-N 2.92Å; L561-I585 HydrophobicContact CD1-CG2 3.32Å; L561-A589 HydrophobicContact CD1-CB 3.84Å; L561-A589 HydrophobicContact CD2-CB 3.84Å; L561-A589 HydrophobicContact CG-CB 3.57Å; L561-A592 HydrophobicContact CD2-CB 4.28Å
562E75.8Confident76.6Confident89 Ų8961.3 Ų61.342%0.41633%0.327SS..Hα-helixtrans-74.4-29.8177.6-176.7152.1-117.700113.6N560 M564 L565 K593N560-E562 PolarHBondContact O-N 3.05Å; N560-E562 PolarHBondContact OD1-N 2.75Å; E562-M564 VanDerWaalsContact C-N 3.35Å; E562-L565 PolarHBondContact O-N 3.28Å; E562-K593 IonicContact OE1-NZ 2.81Å; E562-K593 PolarHBondContact OE1-NZ 3.12Å
563Q73.7Confident76.8Confident72 Ų7261.9 Ų61.934%0.33634%0.335SS..Hα-helixtrans-69.8-34.9174.4-67.6165.8-26.900111I558 T559 N560 L565 Q566 V567I558-Q563 HydrophobicContact CG2-CB 4.05Å; T559-Q563 PolarHBondContact OG1-OE1 3.18Å; N560-Q563 HydrophobicContact CB-CG 4.41Å; N560-Q563 WeakPolarHBondContact O-CB 3.24Å; N560-Q563 PolarHBondContact O-N 3.06Å; N560-Q563 VanDerWaalsContact O-N 3.09Å; Q563-L565 VanDerWaalsContact C-N 3.25Å; Q563-L565 PolarHBondContact O-N 3.05Å; Q563-Q566 PolarHBondContact O-N 2.64Å; Q563-V567 PolarHBondContact O-N 3.27Å
564M70.8Confident77Confident1 Ų169.8 Ų69.81%0.00537%0.372CS..Hα-helixtrans-62.2-33.4176.2-162.5-153.569.500112.1L553 I558 N560 L561 E562 Q566 V567 L572 I585 Q586L553-M564 HydrophobicContact CD2-CG 4.25Å; I558-M564 HydrophobicContact CG2-CB 3.95Å; N560-M564 PolarHBondContact O-N 3.48Å; L561-M564 PolarHBondContact O-N 2.92Å; E562-M564 VanDerWaalsContact C-N 3.35Å; M564-Q566 PolarHBondContact O-N 2.98Å; M564-V567 PolarHBondContact O-N 3.31Å; M564-L572 HydrophobicContact CG-CD1 4.07Å; M564-L572 HydrophobicContact CG-CD2 3.64Å; M564-I585 HydrophobicContact CE-CB 3.93Å; M564-I585 HydrophobicContact CE-CG2 3.54Å; M564-I585 HydrophobicContact SD-CB 4.04Å; M564-I585 HydrophobicContact SD-CD1 4.17Å; M564-I585 HydrophobicContact SD-CG2 3.47Å; M564-I585 WeakPolarHBondContact SD-CG2 3.34Å; M564-Q586 HydrophobicContact CE-CG 4.32Å
565L73.4Confident76.5Confident77 Ų7766.1 Ų66.140%0.40335%0.354SS..THydrogen-bonded Turntrans-69.4-12.5174.9-70.4173.3000113.9E562 Q563 Q586 A589E562-L565 PolarHBondContact O-N 3.28Å; Q563-L565 VanDerWaalsContact C-N 3.25Å; Q563-L565 PolarHBondContact O-N 3.05Å; L565-Q586 HydrophobicContact CD2-CG 4.11Å; L565-A589 HydrophobicContact CD1-CB 3.92Å; L565-A589 HydrophobicContact CD2-CB 4.45Å; L565-A589 HydrophobicContact CG-CB 4.32Å
566Q74.7Confident76.4Confident146 Ų14659.3 Ų59.368%0.68234%0.335SS*.THydrogen-bonded Turntrans-102-10.1-179.7-65164.716.300112.4Q563 M564Q563-Q566 PolarHBondContact O-N 2.64Å; M564-Q566 PolarHBondContact O-N 2.98Å
567V72.8Confident76.6Confident32 Ų3255.5 Ų55.519%0.19432%0.315CS..SBendtrans-90.8129.6178.1171.40000109.8I558 Q563 M564 Q571 L572I558-V567 HydrophobicContact CD1-CB 4.27Å; I558-V567 HydrophobicContact CD1-CG1 4.31Å; I558-V567 HydrophobicContact CD1-CG2 3.86Å; I558-V567 HydrophobicContact CG1-CG2 4.05Å; Q563-V567 PolarHBondContact O-N 3.27Å; M564-V567 PolarHBondContact O-N 3.31Å; V567-Q571 HydrophobicContact CG1-CB 3.68Å; V567-L572 HydrophobicContact CB-CD2 4.14Å; V567-L572 HydrophobicContact CB-CG 4.45Å; V567-L572 HydrophobicContact CG1-CD2 3.78Å; V567-L572 HydrophobicContact CG1-CG 3.98Å
568P81.1Confident76.8Confident74 Ų7456.6 Ų56.648%0.48131%0.312SS..  trans-66145.2-17626.8-35.1000112G570 Q571 L572P568-G570 PolarHBondContact O-N 3.45Å; P568-Q571 HydrophobicContact CG-CB 4.39Å; P568-Q571 HydrophobicContact CG-CG 4.07Å; P568-Q571 PolarHBondContact O-N 2.91Å; P568-L572 PolarHBondContact O-N 3.38Å
569F79.8Confident77.1Confident102 Ų10262.4 Ų62.445%0.44734%0.342SS..Hα-helixtrans-49.4-34.6-174.8-179.5-94.9000114.9L572 T573 L579 I582F569-L572 PolarHBondContact O-N 3.21Å; F569-T573 WeakPolarHBondContact CE1-OG1 3.45Å; F569-T573 PolarHBondContact O-N 3.27Å; F569-T573 PolarHBondContact O-OG1 3.43Å; F569-L579 HydrophobicContact CE2-CD1 3.66Å; F569-L579 HydrophobicContact CZ-CB 4.45Å; F569-L579 HydrophobicContact CZ-CD1 3.74Å; F569-I582 HydrophobicContact CD2-CD1 3.97Å; F569-I582 HydrophobicContact CD2-CG2 4.1Å; F569-I582 HydrophobicContact CE2-CB 4.4Å; F569-I582 HydrophobicContact CE2-CD1 3.53Å; F569-I582 HydrophobicContact CE2-CG2 4.07Å; F569-I582 HydrophobicContact CZ-CD1 4.2Å
570G81.6Confident77.2Confident37 Ų3763.8 Ų63.838%0.38135%0.35SS..Hα-helixtrans-59-48.5174.700000112.8P568 L572 T573 E574P568-G570 PolarHBondContact O-N 3.45Å; G570-L572 VanDerWaalsContact C-N 3.32Å; G570-L572 PolarHBondContact O-N 3.31Å; G570-T573 WeakPolarHBondContact O-CB 3.43Å; G570-T573 PolarHBondContact O-N 3.44Å; G570-T573 VanDerWaalsContact O-N 3.11Å; G570-E574 WeakPolarHBondContact O-CB 3.35Å; G570-E574 WeakPolarHBondContact O-CG 3.47Å; G570-E574 PolarHBondContact O-N 3.34Å
571Q78Confident77.2Confident93 Ų9364.6 Ų64.644%0.43535%0.353SS..Hα-helixtrans-67.1-31.7179.4-69.8176.24.800112.4V567 P568 A575V567-Q571 HydrophobicContact CG1-CB 3.68Å; P568-Q571 HydrophobicContact CG-CB 4.39Å; P568-Q571 HydrophobicContact CG-CG 4.07Å; P568-Q571 PolarHBondContact O-N 2.91Å; Q571-A575 WeakPolarHBondContact O-CB 3.38Å; Q571-A575 PolarHBondContact O-N 3.02Å
572L78.6Confident77.5Confident4 Ų464.4 Ų64.42%0.02135%0.352CS..Hα-helixtrans-69.7-35.3172.4-61.8178.1000112.1L553 I558 M564 V567 P568 F569 G570 A575 L577 I582L553-L572 HydrophobicContact CD2-CD2 4.22Å; I558-L572 HydrophobicContact CD1-CD2 4.08Å; M564-L572 HydrophobicContact CG-CD1 4.07Å; M564-L572 HydrophobicContact CG-CD2 3.64Å; V567-L572 HydrophobicContact CB-CD2 4.14Å; V567-L572 HydrophobicContact CB-CG 4.45Å; V567-L572 HydrophobicContact CG1-CD2 3.78Å; V567-L572 HydrophobicContact CG1-CG 3.98Å; P568-L572 PolarHBondContact O-N 3.38Å; F569-L572 PolarHBondContact O-N 3.21Å; G570-L572 VanDerWaalsContact C-N 3.32Å; G570-L572 PolarHBondContact O-N 3.31Å; L572-A575 WeakPolarHBondContact O-CB 3.46Å; L572-A575 PolarHBondContact O-N 3.48Å; L572-L577 HydrophobicContact CB-CD1 4.29Å; L572-L577 HydrophobicContact CD2-CD1 4.26Å; L572-L577 WeakPolarHBondContact O-CB 3.02Å; L572-L577 PolarHBondContact O-N 2.9Å; L572-I582 HydrophobicContact CB-CD1 3.82Å; L572-I582 HydrophobicContact CB-CG1 4.31Å; L572-I582 HydrophobicContact CD1-CG2 4.42Å
573T81.8Confident77.7Confident68 Ų6861.1 Ų61.142%0.41734%0.342SS..Hα-helixtrans-71.6-41.4175.2-51.40000111.1F569 G570 A575 G576F569-T573 WeakPolarHBondContact CE1-OG1 3.45Å; F569-T573 PolarHBondContact O-N 3.27Å; F569-T573 PolarHBondContact O-OG1 3.43Å; G570-T573 WeakPolarHBondContact O-CB 3.43Å; G570-T573 PolarHBondContact O-N 3.44Å; G570-T573 VanDerWaalsContact O-N 3.11Å; T573-A575 PolarHBondContact O-N 3.41Å; T573-G576 WeakPolarHBondContact O-CA 3.36Å; T573-G576 PolarHBondContact O-N 3.43Å
574E80Confident78Confident165 Ų16561.2 Ų61.277%0.77134%0.342SS*.Hα-helixtrans-62.4-30.4171.3-71.4164.5-167.800112.1G570 G576G570-E574 WeakPolarHBondContact O-CB 3.35Å; G570-E574 WeakPolarHBondContact O-CG 3.47Å; G570-E574 PolarHBondContact O-N 3.34Å; E574-G576 PolarHBondContact O-N 2.91Å
575A71Confident78.1Confident11 Ų1161.1 Ų61.19%0.09134%0.342CS..THydrogen-bonded Turntrans-71.34.5169.300000114K552 L556 Q571 L572 T573 L577K552-A575 WeakPolarHBondContact CB-O 3.39Å; K552-A575 WeakPolarHBondContact CD-O 3.34Å; L556-A575 HydrophobicContact CD1-CB 3.7Å; Q571-A575 WeakPolarHBondContact O-CB 3.38Å; Q571-A575 PolarHBondContact O-N 3.02Å; L572-A575 WeakPolarHBondContact O-CB 3.46Å; L572-A575 PolarHBondContact O-N 3.48Å; T573-A575 PolarHBondContact O-N 3.41Å; A575-L577 VanDerWaalsContact C-N 3.33Å; A575-L577 PolarHBondContact O-N 2.83Å
576G77.2Confident78.2Confident38 Ų3861.3 Ų61.339%0.39234%0.341SS..THydrogen-bonded Turntrans71.522.3177.400000114.7T573 E574T573-G576 WeakPolarHBondContact O-CA 3.36Å; T573-G576 PolarHBondContact O-N 3.43Å; E574-G576 PolarHBondContact O-N 2.91Å
577L73.9Confident78.3Confident5 Ų561.1 Ų61.13%0.02633%0.334CS..  trans-85.2129.7167.5-62.3169.5000109.5L545 N549 L553 L572 A575 I582 I585L545-L577 HydrophobicContact CD2-CD2 3.41Å; L545-L577 VanDerWaalsContact CD2-CD2 3.41Å; N549-L577 HydrophobicContact CB-CD2 3.82Å; L553-L577 HydrophobicContact CD1-CD1 4.45Å; L553-L577 HydrophobicContact CD2-CD1 3.94Å; L553-L577 HydrophobicContact CG-CD1 4.34Å; L572-L577 HydrophobicContact CB-CD1 4.29Å; L572-L577 HydrophobicContact CD2-CD1 4.26Å; L572-L577 WeakPolarHBondContact O-CB 3.02Å; L572-L577 PolarHBondContact O-N 2.9Å; A575-L577 VanDerWaalsContact C-N 3.33Å; A575-L577 PolarHBondContact O-N 2.83Å; L577-I582 HydrophobicContact CB-CD1 4.03Å; L577-I582 HydrophobicContact CB-CG1 3.71Å; L577-I582 HydrophobicContact CD1-CG1 4.36Å; L577-I585 HydrophobicContact CD2-CD1 4.34Å
578T82.2Confident78.2Confident75 Ų7563 Ų6346%0.4634%0.339SS..  trans-70.5155.8172.761.80000111.3V580 E581 I582T578-V580 PolarHBondContact O-N 3.49Å; T578-V580 VanDerWaalsContact O-N 3.13Å; T578-E581 WeakPolarHBondContact CB-OE2 3.34Å; T578-E581 WeakPolarHBondContact CG2-OE2 3.45Å; T578-E581 PolarHBondContact N-OE2 2.92Å; T578-E581 PolarHBondContact O-N 3.35Å; T578-E581 VanDerWaalsContact O-N 3.12Å; T578-E581 WeakPolarHBondContact OG1-CG 3.25Å; T578-E581 PolarHBondContact OG1-N 3.31Å; T578-E581 PolarHBondContact OG1-OE2 3.13Å; T578-I582 WeakPolarHBondContact O-CG1 3.35Å; T578-I582 PolarHBondContact O-N 3.2Å
579L80.6Confident77.6Confident125 Ų12559.8 Ų59.865%0.65432%0.319SS*.Hα-helixtrans-55.4-29.7172.7174.960.8000112.5F569 G583F569-L579 HydrophobicContact CE2-CD1 3.66Å; F569-L579 HydrophobicContact CZ-CB 4.45Å; F569-L579 HydrophobicContact CZ-CD1 3.74Å; L579-G583 PolarHBondContact O-N 2.98Å
580V82.2Confident77.1Confident100 Ų10061.7 Ų61.761%0.60633%0.329SS*.Hα-helixtrans-70.6-49.6176.2-176.40000110.8T578 G583 E584T578-V580 PolarHBondContact O-N 3.49Å; T578-V580 VanDerWaalsContact O-N 3.13Å; V580-G583 PolarHBondContact O-N 3.37Å; V580-E584 PolarHBondContact O-N 2.69Å
581E77.6Confident76.7Confident39 Ų3966.5 Ų66.518%0.18235%0.346CS..Hα-helixtrans-58.2-49174-73.5164.1105.100111.1N549 T578 G583 E584 I585N549-E581 PolarHBondContact ND2-OE1 2.98Å; T578-E581 WeakPolarHBondContact CB-OE2 3.34Å; T578-E581 WeakPolarHBondContact CG2-OE2 3.45Å; T578-E581 PolarHBondContact N-OE2 2.92Å; T578-E581 PolarHBondContact O-N 3.35Å; T578-E581 VanDerWaalsContact O-N 3.12Å; T578-E581 WeakPolarHBondContact OG1-CG 3.25Å; T578-E581 PolarHBondContact OG1-N 3.31Å; T578-E581 PolarHBondContact OG1-OE2 3.13Å; E581-G583 VanDerWaalsContact C-N 3.29Å; E581-G583 PolarHBondContact O-N 2.99Å; E581-E584 PolarHBondContact O-N 2.69Å; E581-I585 HydrophobicContact CB-CD1 4.23Å; E581-I585 VanDerWaalsContact O-CD1 3.25Å; E581-I585 WeakPolarHBondContact O-CD1 3.47Å; E581-I585 WeakPolarHBondContact O-CG1 3.35Å; E581-I585 PolarHBondContact O-N 2.95Å
582I79.9Confident75.7Confident0 Ų062.9 Ų62.90%033%0.333CS..Hα-helixtrans-56.2-45.3178.3-64.5168000110.4F569 L572 L577 T578 E584 I585 Q586F569-I582 HydrophobicContact CD2-CD1 3.97Å; F569-I582 HydrophobicContact CD2-CG2 4.1Å; F569-I582 HydrophobicContact CE2-CB 4.4Å; F569-I582 HydrophobicContact CE2-CD1 3.53Å; F569-I582 HydrophobicContact CE2-CG2 4.07Å; F569-I582 HydrophobicContact CZ-CD1 4.2Å; L572-I582 HydrophobicContact CB-CD1 3.82Å; L572-I582 HydrophobicContact CB-CG1 4.31Å; L572-I582 HydrophobicContact CD1-CG2 4.42Å; L577-I582 HydrophobicContact CB-CD1 4.03Å; L577-I582 HydrophobicContact CB-CG1 3.71Å; L577-I582 HydrophobicContact CD1-CG1 4.36Å; T578-I582 WeakPolarHBondContact O-CG1 3.35Å; T578-I582 PolarHBondContact O-N 3.2Å; I582-E584 PolarHBondContact O-N 3.06Å; I582-I585 PolarHBondContact O-N 3.09Å; I582-Q586 HydrophobicContact CG2-CG 4.46Å; I582-Q586 WeakPolarHBondContact O-CB 3.25Å; I582-Q586 VanDerWaalsContact O-CG 3.25Å; I582-Q586 WeakPolarHBondContact O-CG 3.14Å; I582-Q586 PolarHBondContact O-N 2.81Å
583G81.9Confident74.8Confident19 Ų1968.3 Ų68.320%0.19636%0.356CS..Hα-helixtrans-70.2-24.2177.200000114.7L579 V580 E581 R587L579-G583 PolarHBondContact O-N 2.98Å; V580-G583 PolarHBondContact O-N 3.37Å; E581-G583 VanDerWaalsContact C-N 3.29Å; E581-G583 PolarHBondContact O-N 2.99Å; G583-R587 PolarHBondContact O-N 2.97Å; G583-R587 PolarHBondContact O-NE 3.39Å; G583-R587 PolarHBondContact O-NH2 3.38Å
584E79.3Confident73.2Confident74 Ų7470 Ų7035%0.34637%0.368SS..Hα-helixtrans-76.6-44.3169.2-81.4-160.6-148.200112.7V580 E581 I582 Q586 R587 K588V580-E584 PolarHBondContact O-N 2.69Å; E581-E584 PolarHBondContact O-N 2.69Å; I582-E584 PolarHBondContact O-N 3.06Å; E584-Q586 VanDerWaalsContact C-N 3.32Å; E584-R587 PolarHBondContact O-N 2.83Å; E584-K588 WeakPolarHBondContact O-CB 3.42Å; E584-K588 WeakPolarHBondContact O-CD 3.35Å; E584-K588 WeakPolarHBondContact O-CG 3.4Å; E584-K588 PolarHBondContact O-N 3.26Å; E584-K588 IonicContact OE2-NZ 3.83Å; E584-K588 PolarHBondContact OE2-NZ 3.39Å
585I72.6Confident71.3Confident0 Ų070.4 Ų70.40%037%0.37CS..Hα-helixtrans-68.2-36.7-178.8-55.5151.5000109.7V544 L545 L561 M564 L577 E581 I582 K588 A589V544-I585 HydrophobicContact CG1-CG1 4.11Å; L545-I585 HydrophobicContact CD1-CD1 4.23Å; L545-I585 HydrophobicContact CD1-CG1 4.47Å; L545-I585 HydrophobicContact CD2-CD1 3.57Å; L545-I585 HydrophobicContact CD2-CG1 4.43Å; L545-I585 HydrophobicContact CG-CD1 3.94Å; L545-I585 HydrophobicContact CG-CG1 4.28Å; L561-I585 HydrophobicContact CD1-CG2 3.32Å; M564-I585 HydrophobicContact CE-CB 3.93Å; M564-I585 HydrophobicContact CE-CG2 3.54Å; M564-I585 HydrophobicContact SD-CB 4.04Å; M564-I585 HydrophobicContact SD-CD1 4.17Å; M564-I585 HydrophobicContact SD-CG2 3.47Å; M564-I585 WeakPolarHBondContact SD-CG2 3.34Å; L577-I585 HydrophobicContact CD2-CD1 4.34Å; E581-I585 HydrophobicContact CB-CD1 4.23Å; E581-I585 VanDerWaalsContact O-CD1 3.25Å; E581-I585 WeakPolarHBondContact O-CD1 3.47Å; E581-I585 WeakPolarHBondContact O-CG1 3.35Å; E581-I585 PolarHBondContact O-N 2.95Å; I582-I585 PolarHBondContact O-N 3.09Å; I585-K588 PolarHBondContact O-N 2.93Å; I585-A589 VanDerWaalsContact O-CB 3.3Å; I585-A589 WeakPolarHBondContact O-CB 3.33Å; I585-A589 PolarHBondContact O-N 3.37Å
586Q74.5Confident69.6Low81 Ų8176.6 Ų76.638%0.37941%0.407SS..Hα-helixtrans-59.5-50.2170.7-78.1175-11.700112.2M564 L565 I582 E584 K588 A589 E590M564-Q586 HydrophobicContact CE-CG 4.32Å; L565-Q586 HydrophobicContact CD2-CG 4.11Å; I582-Q586 HydrophobicContact CG2-CG 4.46Å; I582-Q586 WeakPolarHBondContact O-CB 3.25Å; I582-Q586 VanDerWaalsContact O-CG 3.25Å; I582-Q586 WeakPolarHBondContact O-CG 3.14Å; I582-Q586 PolarHBondContact O-N 2.81Å; E584-Q586 VanDerWaalsContact C-N 3.32Å; Q586-K588 PolarHBondContact O-N 3.17Å; Q586-A589 WeakPolarHBondContact O-CB 3.5Å; Q586-A589 PolarHBondContact O-N 3.1Å; Q586-A589 VanDerWaalsContact O-N 3.08Å; Q586-E590 WeakPolarHBondContact O-CG 3.45Å; Q586-E590 PolarHBondContact O-N 3.25Å
587R77.9Confident67.6Low141 Ų14183.2 Ų83.253%0.53243%0.428SS..Hα-helixtrans-59.1-46.1175.9-81.2174.5-72.9179.92.2111.8G583 E584 A589 E590 D591G583-R587 PolarHBondContact O-N 2.97Å; G583-R587 PolarHBondContact O-NE 3.39Å; G583-R587 PolarHBondContact O-NH2 3.38Å; E584-R587 PolarHBondContact O-N 2.83Å; R587-A589 PolarHBondContact O-N 3.11Å; R587-E590 PolarHBondContact O-N 3.4Å; R587-E590 VanDerWaalsContact O-N 3.1Å; R587-D591 WeakPolarHBondContact O-CB 3.34Å; R587-D591 PolarHBondContact O-N 3.18Å
588K70.6Confident65.9Low71 Ų7187.3 Ų87.331%0.30946%0.462SS..Hα-helixtrans-65.3-24.2177.1-70.3159.5177.4167.60112.6V544 E584 I585 Q586 A592V544-K588 HydrophobicContact CB-CD 4.4Å; V544-K588 HydrophobicContact CG1-CD 3.66Å; V544-K588 HydrophobicContact CG2-CD 3.83Å; E584-K588 WeakPolarHBondContact O-CB 3.42Å; E584-K588 WeakPolarHBondContact O-CD 3.35Å; E584-K588 WeakPolarHBondContact O-CG 3.4Å; E584-K588 PolarHBondContact O-N 3.26Å; E584-K588 IonicContact OE2-NZ 3.83Å; E584-K588 PolarHBondContact OE2-NZ 3.39Å; I585-K588 PolarHBondContact O-N 2.93Å; Q586-K588 PolarHBondContact O-N 3.17Å; K588-A592 WeakPolarHBondContact O-CB 3.39Å; K588-A592 PolarHBondContact O-N 2.97Å
589A67.9Low63.7Low7 Ų791.8 Ų91.86%0.05848%0.478CS..Hα-helixtrans-77.8-33.9171.300000113.5L561 L565 I585 Q586 R587L561-A589 HydrophobicContact CD1-CB 3.84Å; L561-A589 HydrophobicContact CD2-CB 3.84Å; L561-A589 HydrophobicContact CG-CB 3.57Å; L565-A589 HydrophobicContact CD1-CB 3.92Å; L565-A589 HydrophobicContact CD2-CB 4.45Å; L565-A589 HydrophobicContact CG-CB 4.32Å; I585-A589 VanDerWaalsContact O-CB 3.3Å; I585-A589 WeakPolarHBondContact O-CB 3.33Å; I585-A589 PolarHBondContact O-N 3.37Å; Q586-A589 WeakPolarHBondContact O-CB 3.5Å; Q586-A589 PolarHBondContact O-N 3.1Å; Q586-A589 VanDerWaalsContact O-N 3.08Å; R587-A589 PolarHBondContact O-N 3.11Å
590E70.6Confident61.6Low142 Ų14291.7 Ų91.766%0.66448%0.478SS*.Hα-helixtrans-72.7-45.2174.2-68.6-178.9144.900111Q586 R587 A592 K593Q586-E590 WeakPolarHBondContact O-CG 3.45Å; Q586-E590 PolarHBondContact O-N 3.25Å; R587-E590 PolarHBondContact O-N 3.4Å; R587-E590 VanDerWaalsContact O-N 3.1Å; E590-A592 VanDerWaalsContact C-N 3.27Å; E590-A592 PolarHBondContact O-N 3.28Å; E590-K593 PolarHBondContact O-N 3.47Å
591D71.8Confident59.3Low138 Ų13895.3 Ų95.374%0.73849%0.488SS*.Hα-helixtrans-62.9-30.9174.9-69.2-32.6000112.6R587 K593R587-D591 WeakPolarHBondContact O-CB 3.34Å; R587-D591 PolarHBondContact O-N 3.18Å; D591-K593 VanDerWaalsContact C-N 3.29Å; D591-K593 PolarHBondContact O-N 3.17Å
592A58.2Low57.1Low18 Ų1897.8 Ų97.815%0.14951%0.509CS..THydrogen-bonded Turntrans-78.3-4.6-178.600000114.8H535 L536 L561 K588 E590 P594H535-A592 PolarHBondContact NE2-O 2.96Å; L536-A592 HydrophobicContact CD2-CB 3.87Å; L561-A592 HydrophobicContact CD2-CB 4.28Å; K588-A592 WeakPolarHBondContact O-CB 3.39Å; K588-A592 PolarHBondContact O-N 2.97Å; E590-A592 VanDerWaalsContact C-N 3.27Å; E590-A592 PolarHBondContact O-N 3.28Å; A592-P594 WeakPolarHBondContact O-CD 3.4Å
593K58.9Low54.9Low117 Ų117103.1 Ų103.151%0.50955%0.547SS..SBendtrans-91.2110.4-168.8-139.5158.6-168.1158.40111.5E562 E590 D591 Q595E562-K593 IonicContact OE1-NZ 2.81Å; E562-K593 PolarHBondContact OE1-NZ 3.12Å; E590-K593 PolarHBondContact O-N 3.47Å; D591-K593 VanDerWaalsContact C-N 3.29Å; D591-K593 PolarHBondContact O-N 3.17Å; K593-Q595 PolarHBondContact O-N 3.5Å
594P49.5Very low52.7Low104 Ų104108 Ų10868%0.67557%0.573SS**  trans-71.5124.1-169.227.8-34.8000112.4A592 T596A592-P594 WeakPolarHBondContact O-CD 3.4Å; P594-T596 PolarHBondContact O-N 3.03Å
595Q39.8Very low50.8Low173 Ų173109.7 Ų109.781%0.80859%0.591SS**  trans-73110.9171.2-67.5-175.42.100110.2K593 Q597K593-Q595 PolarHBondContact O-N 3.5Å; Q595-Q597 PolarHBondContact O-N 2.74Å; Q595-Q597 VanDerWaalsContact O-N 3.15Å
596T35.6Very low49.2Very low141 Ų141115.2 Ų115.287%0.86563%0.626SS**  trans-74.9102.5177.1-42.20000110.5P594P594-T596 PolarHBondContact O-N 3.03Å
597Q34.2Very low47.1Very low177 Ų177116.1 Ų116.183%0.82764%0.642SS**  trans-109.5143163.3-71.7-172.2-6.800110.1Q595Q595-Q597 PolarHBondContact O-N 2.74Å; Q595-Q597 VanDerWaalsContact O-N 3.15Å
598A37.3Very low44.9Very low91 Ų91118.2 Ų118.275%0.75266%0.655SS**  trans-138.6141.8174.200000106.9
599E36.7Very low42.9Very low169 Ų169124.6 Ų124.679%0.7968%0.677SS**  cis-158.5179.44-150.1175.2-160.900110.5
600L36.5Very low41.1Very low123 Ų123131.5 Ų131.564%0.64471%0.708SS**  trans71.8101.7162.6-57.7161.8000116.1
601E34.7Very low39.4Very low176 Ų176130.3 Ų130.382%0.82271%0.71SS**  91.513986.4-84.6-177.4-173.400113.3
602S31.8Very low37.4Very low91 Ų91132.3 Ų132.364%0.63672%0.715SS**  cis-165.2147.2-9.958.90000111.9
603S32.2Very low36.5Very low112 Ų112136.1 Ų136.178%0.78375%0.747SS**  trans64.4153.916187.10000118
604T35.1Very low35.1Very low122 Ų122138.5 Ų138.575%0.74877%0.765SS**  cis-152.2137.6-1.1-37.10000109.6
605P41Very low34.3Very low110 Ų110141.2 Ų141.271%0.71477%0.774SS**  trans-81.3160.8165.234.9-34.9000111.1
606P37.7Very low33.9Very low116 Ų116138 Ų13875%0.75377%0.771SS**  -157-173.95143.5-21.6000119.1
607S31Very low33.6Very low100 Ų100138.4 Ų138.470%0.69977%0.767SS**  trans102.2108.8138.8770000121.8
608K31.3Very low33.6Very low185 Ų185135 Ų13580%0.80476%0.763SS**  72.9135.5125.3-86.1-175.1176.8178.80121.7
609R29.9Very low33.8Very low205 Ų205139.9 Ų139.977%0.77477%0.768SS**  trans72.2150.3158-65-171.4163.4147-2.8116.1
610E30.2Very low34Very low151 Ų151136.8 Ų136.871%0.70677%0.765SS**  cis-167.9-174.1-25.5-112.3150.3-168.200104.6
611T33.6Very low33.8Very low117 Ų117139.3 Ų139.372%0.71878%0.779SS**  trans71.895.5162.7-50.20000118.3
612E30.8Very low33.9Very low181 Ų181133.9 Ų133.985%0.84677%0.77SS**  44.7108.7124.9-58.3161.4-163.600120.7
613A38Very low34.2Very low98 Ų98137.5 Ų137.581%0.8178%0.781SS**  trans-171104.7135.700000114.1N615A613-N615 PolarHBondContact O-N 2.97Å
614N30.8Very low34.9Very low167 Ų167140.1 Ų140.189%0.89379%0.785SS**  trans-6.6110.5156-55.3-29.9000119.4
615N31.3Very low35.7Very low160 Ų160142.5 Ų142.586%0.85679%0.79SS**  trans-147.9118.7140.8-169.4-6.2000109.7A613A613-N615 PolarHBondContact O-N 2.97Å
616S32.7Very low36.3Very low106 Ų106141.2 Ų141.274%0.74178%0.78SS**  trans-94.5117.2-166.5-57.20000112.9
617N28.6Very low36.7Very low149 Ų149139.8 Ų139.880%0.79777%0.766SS**  trans-125.966.5164.6-175.520.2000110.4
618S35.3Very low37.7Very low106 Ų106143.7 Ų143.774%0.74177%0.766SS**  trans-94.297.8-178.5-59.50000111.1
619K39.6Very low39.3Very low194 Ų194138.3 Ų138.384%0.84375%0.749SS**  trans-98.572.8162.4-76.1-168.3174.2-173.90110.4
620S41Very low40.8Very low104 Ų104132.5 Ų132.573%0.72773%0.731SS**  trans-72.713816847.80000110.7G622S620-G622 PolarHBondContact O-N 2.92Å
621N33.3Very low42Very low175 Ų175133.8 Ų133.894%0.93673%0.73SS**  trans-69.5122.1174.2-64.1-65.7000110.4
622G36Very low43.5Very low63 Ų63134.9 Ų134.965%0.64973%0.731SS**  trans178.3121.6175.400000111.6S620S620-G622 PolarHBondContact O-N 2.92Å
623L38.1Very low44.9Very low166 Ų166131.9 Ų131.987%0.86972%0.715SS**  trans50.6113.8-177.8-70.287.8000116.3M625L623-M625 VanDerWaalsContact C-N 3.34Å; L623-M625 PolarHBondContact O-N 3.43Å
624I48.4Very low45.4Very low167 Ų167131.9 Ų131.986%0.85670%0.702SS**  trans-7587.1168.3-55.2173.6000108.6V626I624-V626 PolarHBondContact O-N 3.23Å
625M51.4Low46.3Very low172 Ų172126.9 Ų126.985%0.84768%0.683SS**  trans-66.5120.2159.9-79.9-168.1-7300108.7L623 D627L623-M625 VanDerWaalsContact C-N 3.34Å; L623-M625 PolarHBondContact O-N 3.43Å; M625-D627 PolarHBondContact O-N 3.45Å
626V52.6Low46.9Very low84 Ų84126.8 Ų126.851%0.50968%0.677SS.*  trans-73.697.1174.2179.60000108.2I624 Y628 Y631I624-V626 PolarHBondContact O-N 3.23Å; V626-Y628 WeakPolarHBondContact O-CD2 3.34Å; V626-Y628 PolarHBondContact O-N 2.8Å; V626-Y631 HydrophobicContact CG1-CD2 4.25Å
627D47.4Very low47.5Very low86 Ų86126.3 Ų126.346%0.4667%0.67SS.*  trans-68.796.9169.4-174.9-8.1000109.1M625 T629 Q630 Y631M625-D627 PolarHBondContact O-N 3.45Å; D627-T629 PolarHBondContact O-N 2.81Å; D627-T629 VanDerWaalsContact O-N 3.14Å; D627-T629 VanDerWaalsContact OD1-CA 3.32Å; D627-T629 WeakPolarHBondContact OD1-CA 3.46Å; D627-T629 WeakPolarHBondContact OD1-CB 3.44Å; D627-T629 WeakPolarHBondContact OD1-CG2 3.48Å; D627-T629 PolarHBondContact OD1-N 2.93Å; D627-T629 PolarHBondContact OD1-OG1 2.85Å; D627-T629 PolarHBondContact OD2-OG1 2.63Å; D627-Q630 HydrophobicContact CB-CB 4.15Å; D627-Q630 WeakPolarHBondContact O-CB 3.35Å; D627-Q630 PolarHBondContact O-N 2.68Å; D627-Q630 PolarHBondContact OD1-N 2.71Å; D627-Y631 PolarHBondContact O-N 2.89Å
628Y51.4Low48Very low181 Ų181124 Ų12471%0.7167%0.666SS**Hα-helixtrans-55-27.2174.1-75.6-91.9000112.2V626 Q630 Y631 L632V626-Y628 WeakPolarHBondContact O-CD2 3.34Å; V626-Y628 PolarHBondContact O-N 2.8Å; Y628-Q630 VanDerWaalsContact C-N 3.28Å; Y628-Q630 PolarHBondContact O-N 3.35Å; Y628-Y631 PolarHBondContact O-N 3.07Å; Y628-L632 WeakPolarHBondContact O-CB 3.32Å; Y628-L632 WeakPolarHBondContact O-CD1 3.42Å; Y628-L632 VanDerWaalsContact O-CG 3.27Å; Y628-L632 WeakPolarHBondContact O-CG 3.16Å; Y628-L632 PolarHBondContact O-N 3.5Å
629T65.4Low48.3Very low72 Ų72128 Ų12844%0.44267%0.67SS.*Hα-helixtrans-75-16.5176.787.30000113.3D627 K633D627-T629 PolarHBondContact O-N 2.81Å; D627-T629 VanDerWaalsContact O-N 3.14Å; D627-T629 VanDerWaalsContact OD1-CA 3.32Å; D627-T629 WeakPolarHBondContact OD1-CA 3.46Å; D627-T629 WeakPolarHBondContact OD1-CB 3.44Å; D627-T629 WeakPolarHBondContact OD1-CG2 3.48Å; D627-T629 PolarHBondContact OD1-N 2.93Å; D627-T629 PolarHBondContact OD1-OG1 2.85Å; D627-T629 PolarHBondContact OD2-OG1 2.63Å; T629-K633 VanDerWaalsContact O-CG 3.32Å; T629-K633 WeakPolarHBondContact O-CG 3.19Å; T629-K633 PolarHBondContact O-NZ 2.84Å; T629-K633 PolarHBondContact OG1-NZ 3.48Å
630Q61.1Low48.6Very low83 Ų83123.5 Ų123.539%0.38866%0.663SS.*Hα-helixtrans-86.4-40.7170.7-171.558.630.900110.5D627 Y628 L632 K633 D634D627-Q630 HydrophobicContact CB-CB 4.15Å; D627-Q630 WeakPolarHBondContact O-CB 3.35Å; D627-Q630 PolarHBondContact O-N 2.68Å; D627-Q630 PolarHBondContact OD1-N 2.71Å; Y628-Q630 VanDerWaalsContact C-N 3.28Å; Y628-Q630 PolarHBondContact O-N 3.35Å; Q630-L632 PolarHBondContact O-N 3.39Å; Q630-K633 PolarHBondContact O-N 3.01Å; Q630-D634 WeakPolarHBondContact CG-OD2 3.2Å; Q630-D634 PolarHBondContact NE2-OD1 2.95Å; Q630-D634 PolarHBondContact NE2-OD2 3.09Å; Q630-D634 PolarHBondContact O-N 3.45Å
631Y55.9Low48.7Very low178 Ų178122 Ų12270%0.69866%0.664SS**Hα-helixtrans-59.5-34.9169-105.2-91.6000112.5V626 D627 Y628 K633 A635V626-Y631 HydrophobicContact CG1-CD2 4.25Å; D627-Y631 PolarHBondContact O-N 2.89Å; Y628-Y631 PolarHBondContact O-N 3.07Å; Y631-K633 PolarHBondContact O-N 2.87Å; Y631-A635 WeakPolarHBondContact O-CB 3.42Å; Y631-A635 PolarHBondContact O-N 3.02Å
632L63.6Low48.9Very low141 Ų141120.6 Ų120.674%0.73866%0.656SS**Hα-helixtrans-70.5-9.2172-78163.9000114.7Y628 Q630Y628-L632 WeakPolarHBondContact O-CB 3.32Å; Y628-L632 WeakPolarHBondContact O-CD1 3.42Å; Y628-L632 VanDerWaalsContact O-CG 3.27Å; Y628-L632 WeakPolarHBondContact O-CG 3.16Å; Y628-L632 PolarHBondContact O-N 3.5Å; Q630-L632 PolarHBondContact O-N 3.39Å
633K61.3Low49.6Very low118 Ų118123.6 Ų123.651%0.51366%0.657SS.*Hα-helixtrans-106.1-41.9175.3-70.2177.5-164.897.70112T629 Q630 Y631 A635T629-K633 VanDerWaalsContact O-CG 3.32Å; T629-K633 WeakPolarHBondContact O-CG 3.19Å; T629-K633 PolarHBondContact O-NZ 2.84Å; T629-K633 PolarHBondContact OG1-NZ 3.48Å; Q630-K633 PolarHBondContact O-N 3.01Å; Y631-K633 PolarHBondContact O-N 2.87Å; K633-A635 VanDerWaalsContact C-N 3.26Å; K633-A635 PolarHBondContact O-N 3.45Å
634D47.8Very low50.2Low98 Ų98119.9 Ų119.952%0.52464%0.643SS.*Hα-helixtrans-76.9-14.8179.3-63.9-23.3000112.5Q630 H636Q630-D634 WeakPolarHBondContact CG-OD2 3.2Å; Q630-D634 PolarHBondContact NE2-OD1 2.95Å; Q630-D634 PolarHBondContact NE2-OD2 3.09Å; Q630-D634 PolarHBondContact O-N 3.45Å; D634-H636 PolarHBondContact O-N 3.14Å
635A51.1Low50.4Low61 Ų61118.5 Ų118.550%0.50464%0.637SS.*  trans-66.370.3158.700000110.9Y631 K633 V637Y631-A635 WeakPolarHBondContact O-CB 3.42Å; Y631-A635 PolarHBondContact O-N 3.02Å; K633-A635 VanDerWaalsContact C-N 3.26Å; K633-A635 PolarHBondContact O-N 3.45Å; A635-V637 PolarHBondContact O-N 2.95Å
636H43.4Very low50.3Low158 Ų158117.8 Ų117.873%0.73164%0.636SS**  trans-69.249.4175.3-82.9-86.2000112.9D634 S638D634-H636 PolarHBondContact O-N 3.14Å; H636-S638 PolarHBondContact O-N 2.97Å
637V45Very low49.9Very low97 Ų97118.5 Ų118.559%0.58864%0.637SS**  trans-55.2113.7158.7178.80000106.4A635 F639A635-V637 PolarHBondContact O-N 2.95Å; V637-F639 HydrophobicContact CB-CD2 4.01Å; V637-F639 HydrophobicContact CB-CE2 3.86Å; V637-F639 HydrophobicContact CG1-CD2 3.76Å; V637-F639 HydrophobicContact CG1-CE2 3.59Å; V637-F639 HydrophobicContact CG1-CG 4.39Å; V637-F639 HydrophobicContact CG1-CZ 4.08Å; V637-F639 PolarHBondContact O-N 3.25Å
638S39.6Very low49.7Very low101 Ų101121.3 Ų121.371%0.70665%0.653SS**  trans-75.477.6-178.4-69.80000110H636 S640H636-S638 PolarHBondContact O-N 2.97Å; S638-S640 PolarHBondContact O-N 2.83Å; S638-S640 PolarHBondContact O-OG 3.26Å
639F41.8Very low49.7Very low190 Ų190124 Ų12483%0.83366%0.661SS**  trans-63.364.5166.3-76.7-78.9000110.5V637 G641V637-F639 HydrophobicContact CB-CD2 4.01Å; V637-F639 HydrophobicContact CB-CE2 3.86Å; V637-F639 HydrophobicContact CG1-CD2 3.76Å; V637-F639 HydrophobicContact CG1-CE2 3.59Å; V637-F639 HydrophobicContact CG1-CG 4.39Å; V637-F639 HydrophobicContact CG1-CZ 4.08Å; V637-F639 PolarHBondContact O-N 3.25Å; F639-G641 PolarHBondContact O-N 3.15Å
640S44.3Very low48.9Very low99 Ų99128.1 Ų128.169%0.69268%0.681SS**  trans-76.371.8176.1-61.20000108.4S638 N642S638-S640 PolarHBondContact O-N 2.83Å; S638-S640 PolarHBondContact O-OG 3.26Å; S640-N642 PolarHBondContact O-N 3.22Å
641G43.5Very low48.1Very low72 Ų72132 Ų13274%0.74270%0.704SS**  trans-5490.6-167.900000114.3F639F639-G641 PolarHBondContact O-N 3.15Å
642N38.1Very low47.9Very low145 Ų145131.4 Ų131.478%0.77571%0.713SS**  trans-159.234176.9-87.8-60.6000111.1S640S640-N642 PolarHBondContact O-N 3.22Å
643D49.6Very low47.3Very low127 Ų127132.6 Ų132.668%0.67972%0.715SS**  trans-100.6115.1163.5-150.8-41.4000110
644P50.9Low46.6Very low88 Ų88136 Ų13657%0.57173%0.733SS**  trans-10128.5-172.7-2.926.3000115.1K164K164-P644 PolarHBondContact NZ-O 2.96Å
645L54Low46.6Very low137 Ų137138.5 Ų138.572%0.71775%0.745SS**SBendtrans-130.6-11-167.8-70175.7000118.9
646D47.8Very low46.4Very low157 Ų157142.6 Ų142.684%0.8476%0.757SS**  trans-107.674.2175.9-72.7-44.9000111.3
647D45Very low46.4Very low99 Ų99142 Ų14253%0.52976%0.758SS.*  trans-14825.1-168.5-158.546.9000113.1R161R161-D647 IonicContact CZ-OD2 2.69Å; R161-D647 IonicContact NH2-OD2 3.51Å; R161-D647 PolarHBondContact NH2-OD2 3.5Å
648D44.2Very low46.5Very low146 Ų146144.4 Ų144.478%0.78177%0.767SS**SBendtrans-149.936.6-172-73.2-65.5000115.3
649R51.1Low46.7Very low237 Ų237147.5 Ų147.589%0.89478%0.776SS**SBendtrans-144.1156.3166.8-71.9-166.8177.2-179-2.3112.3
650D48.3Very low46.9Very low159 Ų159142.1 Ų142.185%0.8577%0.774SS**  trans71.166.2174.8-51.6-13.7000116.3
651D43.7Very low46.5Very low164 Ų164143.4 Ų143.488%0.87777%0.773SS**  trans-150.348.6173.9-119.2-15.2000112
652D52.9Low46.4Very low165 Ų165146.7 Ų146.788%0.88277%0.774SS**  trans-167.2133.6168.2-84.8-45.3000104.6
653E50.7Low46.6Very low167 Ų167143.6 Ų143.678%0.7876%0.763SS**  cis-133.8137.615.5-56169.9142.500110.7
654Q46.5Very low46Very low190 Ų190144.3 Ų144.389%0.88877%0.773SS**  trans-126.796.1158.4-77.8-170.62.300108.4
655L47.9Very low45.5Very low149 Ų149144.1 Ų144.178%0.7878%0.779SS**  trans-94.6122.5178-70.9176.3000110.8
656I45.4Very low45Very low147 Ų147145.4 Ų145.475%0.75478%0.781SS**  trans-97.4129.6177-61.2168000108
657I43.5Very low44.6Very low147 Ų147145.6 Ų145.675%0.75478%0.777SS**  trans-142.597.3163.3-51.9178.6000103.7
658D47.5Very low44.3Very low146 Ų146146.5 Ų146.578%0.78178%0.782SS**  58.87987.4-86.9-32.4000113.6
659D45Very low44Very low166 Ų166147 Ų14789%0.88878%0.779SS**  trans-82.3119166.4-80.7-52.1000111N661D659-N661 PolarHBondContact O-N 3.36Å
660G44.2Very low43.2Very low78 Ų78144 Ų14480%0.80478%0.776SS**  trans-85.8105.4178.400000113.6
661N36.4Very low42.7Very low126 Ų126140.9 Ų140.967%0.67476%0.764SS**  trans17.9116.5143.4178.191.5000119.2D659D659-N661 PolarHBondContact O-N 3.36Å
662D41.9Very low42.3Very low140 Ų140142.1 Ų142.175%0.74976%0.761SS**  171.6152.3125.6-95.1-41.8000110.4
663S42.2Very low41.6Very low80 Ų80144.5 Ų144.556%0.55976%0.764SS**  cis-170.3141.1-28.7-114.10000110.4
664T37.1Very low40.9Very low142 Ų142141.4 Ų141.487%0.87177%0.767SS**  trans58.6168.8168.728.60000115.7
665A40.2Very low40.2Very low85 Ų85142.4 Ų142.470%0.70277%0.768SS**  cis-160.1156.2-6.500000105.3
666E42.8Very low39.8Very low163 Ų163139.1 Ų139.176%0.76276%0.763SS**  cis-168-172.8-2.9-82.7-108.980.900104.5
667E41.2Very low39.9Very low161 Ų161138 Ų13875%0.75276%0.764SS**  trans-7.7147.8157.3-56.3-175.4141.300120.4
668D37.8Very low40.1Very low119 Ų119136.1 Ų136.164%0.63676%0.762SS**  cis-1611698.7-141.3-12.3000117.8
669Q37.3Very low39.3Very low156 Ų156133.7 Ų133.773%0.72976%0.762SS**  trans7.4110.1156.8-75.716186.800122.8
670Q34.3Very low38.7Very low175 Ų175130.1 Ų130.182%0.81876%0.756SS**  13.4160.3116.5-71.8-163.431.500121.9
671P39.3Very low38.3Very low92 Ų92132.1 Ų132.160%0.59775%0.753SS**  cis-147.1161.9-28.939.6-21.2000117.2
672K35.3Very low38.1Very low190 Ų190134 Ų13483%0.82676%0.757SS**  trans44.3120.2141.5-60.8165.3-176.3167.70120.5
673K36.6Very low37.8Very low216 Ų216135.2 Ų135.294%0.93976%0.758SS**  -173.2152.598.5-102170.6-175.7174.20113
674A36.4Very low37.4Very low101 Ų101136.3 Ų136.384%0.83577%0.766SS**  trans-111.9161.6-176.800000112.9
675K32.2Very low37.3Very low212 Ų212134.2 Ų134.292%0.92276%0.757SS**  trans-156.9146.5148.4-147.5166.9-178.9177.60112.8
676A38.5Very low37.3Very low80 Ų80135 Ų13566%0.66175%0.753SS**  trans-126.5-160174.700000108.4
677P48.9Very low37.2Very low122 Ų122135.9 Ų135.979%0.79276%0.757SS**  cis-112.3-98.8-22.725.6-0.9000109.7
678P47.2Very low37.1Very low108 Ų108136.9 Ų136.970%0.70176%0.762SS**  cis-133.7172.6-27.741.8-24.6000117.3
679A31.3Very low37.7Very low95 Ų95134.8 Ų134.879%0.78576%0.761SS**  trans83.6148.9139.200000124.2
680A32.2Very low38.4Very low91 Ų91132.9 Ų132.975%0.75276%0.762SS**  trans73.6149.6162.900000117.4
681T35Very low38.8Very low121 Ų121132.7 Ų132.774%0.74277%0.766SS**  cis-162144.812-16.50000112.1
682H32.5Very low38.8Very low165 Ų165133.6 Ų133.676%0.76477%0.772SS**  trans64160.9139.9-96.9-135.8000119.7
683E34.9Very low38.9Very low166 Ų166130.3 Ų130.378%0.77677%0.773SS**  cis-138.4-159.50.7-64.1-147.6134.900113.9
684S33.8Very low39.1Very low102 Ų102124.3 Ų124.371%0.71375%0.754SS**  trans-77.8174.517647.70000116.2
685S35.4Very low39.4Very low99 Ų99129.2 Ų129.269%0.69276%0.757SS**  cis-169.3-155.9-14.549.90000107.6
686T40.5Very low39.7Very low102 Ų102126.4 Ų126.463%0.62675%0.752SS**  cis-164.6146.98.3-13.80000109.9
687E40.1Very low40.2Very low180 Ų180130 Ų13084%0.84176%0.759SS**  trans57.4159.4155.9-69.8158.9163.200118.1
688E40.8Very low39.9Very low183 Ų183130.3 Ų130.386%0.85576%0.761SS**  cis-151.7171.8-9.2-131.5-153.3136.900106.6
689A48.6Very low39.6Very low74 Ų74130 Ų13061%0.61276%0.761SS**  cis-154.4167.5-0.700000109.5
690P53Low39.7Very low117 Ų117133.6 Ų133.676%0.7676%0.76SS**  trans-118.4171.9-169.241.8-32.8000117.1
691L42.8Very low39.9Very low170 Ų170136.2 Ų136.289%0.8976%0.758SS**  trans-128.8153157.8-74.3178000111.4
692P39.2Very low39.7Very low112 Ų112136.6 Ų136.673%0.72776%0.756SS**  trans-121.5157.9-152.339.6-26.6000116.8
693S36.7Very low39.8Very low120 Ų120135.3 Ų135.384%0.83975%0.754SS**  trans-85.8132.4167.8172.50000111.9
694V41.7Very low39.9Very low91 Ų91135.2 Ų135.255%0.55276%0.756SS**  trans-152116166.6-174.30000109.9
695F42.4Very low39.8Very low204 Ų204139 Ų13990%0.89577%0.767SS**  -173.4141.9112.7-106.8-70000112.6
696D38.4Very low39.7Very low152 Ų152137.7 Ų137.781%0.81377%0.77SS**  trans-97.4172.1-172.1-100.5-62.6000114.2
697L49.6Very low39.4Very low155 Ų155142.7 Ų142.781%0.81279%0.786SS**  trans-55.6166.6171.6-66.7154000113.3
698P41.7Very low39.2Very low129 Ų129137.5 Ų137.584%0.83878%0.781SS**  -133.3151.1108.114.65.3000114.8
699S40.3Very low39.1Very low101 Ų101134.4 Ų134.471%0.70678%0.779SS**  trans-82.6149.7172.8178.20000112.1
700F33.6Very low38.5Very low171 Ų171136.2 Ų136.275%0.7579%0.788SS**  trans-136.3101.7158.4179.9-107.1000110.9N702F700-N702 WeakPolarHBondContact CZ-O 3.43Å
701M37.2Very low37.8Very low147 Ų147135.1 Ų135.172%0.72479%0.788SS**  trans-88.5163.7158.4-64.4175.471.700109.6
702N31.5Very low37.4Very low129 Ų129137.4 Ų137.469%0.6979%0.785SS**  trans63.692.5169.6-62.3-19.3000116.8F700F700-N702 WeakPolarHBondContact CZ-O 3.43Å
703N34.4Very low37.2Very low137 Ų137138.7 Ų138.773%0.73378%0.782SS**  -154.2137.6103.4-105.2-28.1000116.4
704M36.8Very low37Very low164 Ų164139.5 Ų139.581%0.80878%0.776SS**  trans-8.6128.2158.8-59.5-178.1-176.600120
705L31.8Very low36.4Very low182 Ų182142.4 Ų142.495%0.95379%0.787SS**  41.489.6110.3-153.483.1000117.4
706G32.1Very low36Very low72 Ų72138 Ų13874%0.74278%0.779SS**  trans177.1107.5170.100000117.3
707Q35.5Very low35.5Very low206 Ų206135.2 Ų135.296%0.96378%0.777SS**  trans-2.1146.9154.2-51.6175.47.100120.5
708G35.7Very low34.5Very low72 Ų72133.2 Ų133.274%0.74278%0.776SS**  trans131.878.7137.300000120.1
709S38.1Very low34Very low117 Ų117130.9 Ų130.982%0.81877%0.768SS**  trans38.7127.9135.3-52.70000123.5
710S36.8Very low33.8Very low113 Ų113132.5 Ų132.579%0.7977%0.773SS**  trans7897.7134.7-62.20000122.3
711A36.6Very low33.7Very low93 Ų93130.3 Ų130.377%0.76978%0.779SS**  79.8119.4109.800000122.6
712R36.5Very low34.2Very low218 Ų218128.9 Ų128.982%0.82378%0.781SS**  trans76.6130.7137.1-92.5-169.7170.9-156.6-0.3121.7
713Q33.5Very low34.5Very low140 Ų140130 Ų13065%0.65479%0.787SS**  trans89.6128138.1-81.3-176.64.200121
714L32.2Very low34.5Very low137 Ų137131.6 Ų131.672%0.71779%0.79SS**  trans70.1113.3150.2-59.3167.1000116.7
715L30Very low34.2Very low152 Ų152130.8 Ų130.880%0.79679%0.785SS**  64.8133.981.1-74-173.2000113.6
716P33Very low34.4Very low112 Ų112128.4 Ų128.473%0.72777%0.773SS**  -128.9172.4-87.139.8-28.7000113.4
717A29Very low34.5Very low93 Ų93129.6 Ų129.677%0.76978%0.775SS**  trans64.3154.117200000115.6
718S28.9Very low34.7Very low112 Ų112127.9 Ų127.978%0.78377%0.767SS**  cis-155.7151.9-21.3-1040000110
719A30.2Very low34.6Very low81 Ų81131.2 Ų131.267%0.66977%0.767SS**  trans39.7103.215400000120.6
720T37.4Very low34.7Very low134 Ų134131.2 Ų131.282%0.82277%0.765SS**  56.6131.1128.461.70000122.3
721S30.7Very low34.8Very low125 Ų125130 Ų13087%0.87477%0.77SS**  trans-154.7147.6142.3-84.40000112
722P46.6Very low34.9Very low118 Ų118129.8 Ų129.877%0.76678%0.777SS**  trans-123.2161.3-167.941.1-28.1000116.1
723N38.6Very low34.8Very low151 Ų151126 Ų12681%0.80777%0.773SS**  trans-170.4153.4156.5-114.8-88.2000108.3
724Q34.1Very low34.9Very low172 Ų172127 Ų12780%0.80478%0.777SS**SBendcis-104.8162.5-0.7-71.1168.5-32.800110
725E31.3Very low35Very low147 Ų147125.5 Ų125.569%0.68778%0.778SS**SBendcis-149.8148.314.1-144.2-178110.800111.9
726N35Very low35Very low131 Ų131123.4 Ų123.470%0.70177%0.772SS**  trans54.499.1158.7-59.4-27.7000123.5
727A35.9Very low35Very low97 Ų97126.7 Ų126.780%0.80278%0.777SS**  80.3130.1126.200000125.6
728H37.8Very low35.1Very low170 Ų170131.2 Ų131.279%0.78778%0.78SS**  trans85.294.3145-102.682.3000124.4
729L34.1Very low35.4Very low143 Ų143132 Ų13275%0.74979%0.785SS**  35.2160.2121.7-54.5176.4000123.2
730P41.5Very low35.6Very low117 Ų117132.6 Ų132.676%0.7679%0.79SS**  -145.9159.8-5541.9-23.6000117.5
731G38.7Very low35.8Very low88 Ų88131.3 Ų131.391%0.90778%0.784SS**  trans90.5154.2145.100000122
732G38.6Very low35.8Very low88 Ų88133.5 Ų133.591%0.90778%0.784SS**  trans138.6102.3161.900000118.1
733D34.3Very low35.1Very low138 Ų138131.4 Ų131.474%0.73878%0.784SS**  trans-87.9158-164.2-1283.6000118.8
734Q35.7Very low34.7Very low160 Ų160128.5 Ų128.575%0.74879%0.79SS**  trans70.8137.7140.7-76.1-17974.300127.6
735S33.6Very low34.5Very low106 Ų106124.2 Ų124.274%0.74179%0.791SS**  trans104.9124.2134.172.70000123.9
736T30.7Very low34.7Very low109 Ų109123.8 Ų123.867%0.66980%0.799SS**  trans16.8145.2146.449.30000122.4
737H33.5Very low34.9Very low180 Ų180122.6 Ų122.683%0.83380%0.801SS**  -167.2171.867.3-87.4-82.2000115.2
738K30.5Very low35.1Very low189 Ų189123.2 Ų123.282%0.82280%0.795SS**  trans-73.1152.8173.9-75.6178.5171.1178.10114.1
739S34.3Very low35.2Very low129 Ų129122.6 Ų122.690%0.90280%0.797SS**  trans-169157.3139.8-83.50000112.9
740A34.4Very low35.6Very low93 Ų93121 Ų12177%0.76979%0.794SS**  trans-131.4-169.1169.200000107.4
741P41.5Very low35.5Very low107 Ų107122.1 Ų122.170%0.69579%0.792SS**  cis-136.2-152.6-3.829.4-2.5000112.8
742I32.1Very low35.7Very low171 Ų171120.6 Ų120.688%0.87778%0.777SS**  trans81.2133.3160-54.1160.3000117.6
743G30Very low36Very low74 Ų74127.7 Ų127.776%0.76378%0.776SS**  trans146.2102.3161.400000114.2
744G30.4Very low36.8Very low90 Ų90127.3 Ų127.393%0.92877%0.773SS**  trans-77.9160.8-177.700000115
745G31.6Very low37.4Very low81 Ų81126.7 Ų126.784%0.83577%0.774SS**  trans-166.7101.8177.900000112.9
746T33.6Very low37.7Very low139 Ų139129.7 Ų129.785%0.85377%0.774SS**  trans-66136.8179.249.20000113.4
747S40.6Very low37.8Very low105 Ų105128.1 Ų128.173%0.73478%0.779SS**  171.2141106.848.90000115.2
748T38.9Very low37.8Very low110 Ų110127.2 Ų127.268%0.67578%0.781SS**  trans19.2121.9149.457.20000120.8
749N40.3Very low38.2Very low157 Ų157127.6 Ų127.684%0.8478%0.782SS**  -155.4126.7119-103.5-52.8000110.7
750V43.9Very low38.2Very low111 Ų111130.8 Ų130.867%0.67378%0.783SS**  trans-93.4-16.2-157.2177.40000114.1G752V750-G752 PolarHBondContact O-N 3.47Å
751L37.3Very low38.6Very low139 Ų139130.5 Ų130.573%0.72878%0.775SS**G310 helixtrans-73.4-17.2-167.5-74.3160.3000115.7
752G43.2Very low39.2Very low57 Ų57129.4 Ų129.459%0.58876%0.764SS**G310 helixtrans-68.9-34.4-176.800000114.8V750 I754V750-G752 PolarHBondContact O-N 3.47Å; G752-I754 VanDerWaalsContact C-N 3.25Å; G752-I754 PolarHBondContact O-N 2.9Å
753R45.9Very low40.7Very low236 Ų236126.2 Ų126.289%0.89175%0.754SS**G310 helixtrans-77.9-1.1-173.9-80.5-176.4171.9162.5-2.2115.3
754I50.2Low42.8Very low130 Ų130129.9 Ų129.967%0.66775%0.751SS**G310 helixtrans-101.2-19.6-174.2-60.5175.3000111.8G752G752-I754 VanDerWaalsContact C-N 3.25Å; G752-I754 PolarHBondContact O-N 2.9Å
755L48.5Very low44.5Very low147 Ų147128.4 Ų128.477%0.7773%0.73SS**THydrogen-bonded Turntrans-114-17-174.6-71.2167.5000114.7
756F39.3Very low46.3Very low170 Ų170131.6 Ų131.675%0.74672%0.717SS**SBendtrans-120.4104.6169.5-70.5-82000109.4D758F756-D758 VanDerWaalsContact C-N 3.33Å; F756-D758 PolarHBondContact O-N 3.39Å
757G33.8Very low48.2Very low76 Ų76127.3 Ų127.378%0.78470%0.696SS**  trans-82.967.2-173.900000113.3K759G757-K759 PolarHBondContact O-N 3.36Å
758D32.6Very low49.7Very low161 Ų161124.8 Ų124.886%0.86168%0.681SS**  trans-67.780.9172.4-77.4-35.8000111.2F756F756-D758 VanDerWaalsContact C-N 3.33Å; F756-D758 PolarHBondContact O-N 3.39Å
759K40.1Very low51.2Low197 Ų197124.9 Ų124.986%0.85767%0.673SS**  trans-10978.3162.2-73.4-164.8175.5-173.90109.2G757 S761G757-K759 PolarHBondContact O-N 3.36Å; K759-S761 PolarHBondContact O-N 2.86Å
760Q34.5Very low52.8Low195 Ų195123.3 Ų123.391%0.91166%0.656SS**  trans-56.9109.3163.1-166.2173.315.800107.5D762Q760-D762 PolarHBondContact O-N 3.42Å; Q760-D762 VanDerWaalsContact O-N 3.09Å
761S41.6Very low54.3Low87 Ų87126.6 Ų126.661%0.60866%0.656SS**  trans-72.2108.1-174.962.90000109.4K759K759-S761 PolarHBondContact O-N 2.86Å
762D55.7Low56Low84 Ų84123.7 Ų123.745%0.44964%0.641SS.*  trans-49.8121.6175166.730.6000110.8Q760 E764 A765 R766Q760-D762 PolarHBondContact O-N 3.42Å; Q760-D762 VanDerWaalsContact O-N 3.09Å; D762-E764 PolarHBondContact O-N 2.89Å; D762-E764 WeakPolarHBondContact OD1-CB 3.4Å; D762-E764 PolarHBondContact OD1-N 2.96Å; D762-A765 HydrophobicContact CB-CB 4.02Å; D762-A765 PolarHBondContact O-N 2.9Å; D762-A765 VanDerWaalsContact OD2-CB 3.29Å; D762-A765 WeakPolarHBondContact OD2-CB 3.47Å; D762-A765 PolarHBondContact OD2-N 3.47Å; D762-R766 PolarHBondContact O-N 3.29Å; D762-R766 VanDerWaalsContact O-N 3.09Å
763P63.5Low57.3Low104 Ų104124.4 Ų124.468%0.67563%0.631SS**Hα-helixtrans-63.1-26.917826.9-35.3000112.4R766 A767P763-R766 PolarHBondContact O-N 3.18Å; P763-A767 WeakPolarHBondContact O-CB 3.15Å; P763-A767 PolarHBondContact O-N 2.92Å
764E72.5Confident58.6Low152 Ų152119.8 Ų119.871%0.7162%0.622SS**Hα-helixtrans-74.2-45.5179.1-169.7161.2-16800111.5D762 R766 A767 A768D762-E764 PolarHBondContact O-N 2.89Å; D762-E764 WeakPolarHBondContact OD1-CB 3.4Å; D762-E764 PolarHBondContact OD1-N 2.96Å; E764-R766 VanDerWaalsContact C-N 3.27Å; E764-R766 PolarHBondContact O-N 3.38Å; E764-A767 CarbonylContact O-C 3.59Å; E764-A767 PolarHBondContact O-N 3.44Å; E764-A767 VanDerWaalsContact O-N 3.12Å; E764-A768 WeakPolarHBondContact O-CB 3.26Å; E764-A768 PolarHBondContact O-N 3.02Å
765A66.1Low59.8Low58 Ų58122.6 Ų122.648%0.47963%0.625SS.*Hα-helixtrans-56.5-39.1168.500000112.7D762 A768 F769D762-A765 HydrophobicContact CB-CB 4.02Å; D762-A765 PolarHBondContact O-N 2.9Å; D762-A765 VanDerWaalsContact OD2-CB 3.29Å; D762-A765 WeakPolarHBondContact OD2-CB 3.47Å; D762-A765 PolarHBondContact OD2-N 3.47Å; A765-A768 PolarHBondContact O-N 2.89Å; A765-F769 WeakPolarHBondContact O-CB 3.32Å; A765-F769 PolarHBondContact O-N 3.04Å
766R70.4Confident60.4Low148 Ų148120 Ų12056%0.55861%0.612SS**Hα-helixtrans-67.2-40.6174.6-175.3171.3172.5139.1-2111.9D762 P763 E764 F769 Y770D762-R766 PolarHBondContact O-N 3.29Å; D762-R766 VanDerWaalsContact O-N 3.09Å; P763-R766 PolarHBondContact O-N 3.18Å; E764-R766 VanDerWaalsContact C-N 3.27Å; E764-R766 PolarHBondContact O-N 3.38Å; R766-F769 PolarHBondContact O-N 2.81Å; R766-Y770 HydrophobicContact CG-CD2 4.21Å; R766-Y770 HydrophobicContact CG-CE2 4Å; R766-Y770 VanDerWaalsContact O-CD2 3.25Å; R766-Y770 WeakPolarHBondContact O-CD2 3.24Å; R766-Y770 PolarHBondContact O-N 2.95Å; R766-Y770 VanDerWaalsContact O-N 3.16Å
767A73.8Confident61.9Low49 Ų49116.5 Ų116.541%0.40561%0.606SS.*Hα-helixtrans-66.8-37.2174.900000112.3P763 E764 Y770 R771P763-A767 WeakPolarHBondContact O-CB 3.15Å; P763-A767 PolarHBondContact O-N 2.92Å; E764-A767 CarbonylContact O-C 3.59Å; E764-A767 PolarHBondContact O-N 3.44Å; E764-A767 VanDerWaalsContact O-N 3.12Å; A767-Y770 PolarHBondContact O-N 3.27Å; A767-R771 WeakPolarHBondContact O-CG 3.18Å; A767-R771 PolarHBondContact O-N 3.31Å
768A72Confident63.1Low53 Ų53122.5 Ų122.544%0.43861%0.611SS.*Hα-helixtrans-62.6-45173.400000111.5E764 A765 Y770 R771 D772E764-A768 WeakPolarHBondContact O-CB 3.26Å; E764-A768 PolarHBondContact O-N 3.02Å; A765-A768 PolarHBondContact O-N 2.89Å; A768-Y770 PolarHBondContact O-N 3.02Å; A768-R771 WeakPolarHBondContact O-CB 3.36Å; A768-R771 PolarHBondContact O-N 3.13Å; A768-R771 VanDerWaalsContact O-N 3.14Å; A768-D772 PolarHBondContact O-N 2.64Å
769F71.1Confident64.1Low111 Ų111121.7 Ų121.749%0.48760%0.6SS.*Hα-helixtrans-58.8-44175.7-175.6-108.7000112.6A765 R766 D772 I773A765-F769 WeakPolarHBondContact O-CB 3.32Å; A765-F769 PolarHBondContact O-N 3.04Å; R766-F769 PolarHBondContact O-N 2.81Å; F769-D772 PolarHBondContact O-N 3.15Å; F769-I773 HydrophobicContact CD1-CD1 3.86Å; F769-I773 HydrophobicContact CE1-CD1 3.45Å; F769-I773 VanDerWaalsContact CE1-CD1 3.45Å; F769-I773 HydrophobicContact CE2-CD1 4.16Å; F769-I773 HydrophobicContact CG-CD1 4.38Å; F769-I773 HydrophobicContact CZ-CD1 3.64Å; F769-I773 WeakPolarHBondContact O-CG1 3.09Å; F769-I773 PolarHBondContact O-N 2.97Å; F769-I773 VanDerWaalsContact O-N 3.08Å
770Y73.5Confident64.4Low125 Ų125116.9 Ų116.949%0.4960%0.596SS.*Hα-helixtrans-65.1-39.7173.1-80.6-70.5000112.7R766 A767 A768 D772 I774R766-Y770 HydrophobicContact CG-CD2 4.21Å; R766-Y770 HydrophobicContact CG-CE2 4Å; R766-Y770 VanDerWaalsContact O-CD2 3.25Å; R766-Y770 WeakPolarHBondContact O-CD2 3.24Å; R766-Y770 PolarHBondContact O-N 2.95Å; R766-Y770 VanDerWaalsContact O-N 3.16Å; A767-Y770 PolarHBondContact O-N 3.27Å; A768-Y770 PolarHBondContact O-N 3.02Å; Y770-D772 VanDerWaalsContact C-N 3.33Å; Y770-D772 PolarHBondContact O-N 2.72Å; Y770-I774 WeakPolarHBondContact O-CB 3.45Å; Y770-I774 WeakPolarHBondContact O-CD1 3.45Å; Y770-I774 VanDerWaalsContact O-CG1 3.24Å; Y770-I774 WeakPolarHBondContact O-CG1 3.5Å; Y770-I774 PolarHBondContact O-N 3.37Å; Y770-I774 VanDerWaalsContact O-N 3.09Å
771R74.5Confident65.1Low179 Ų179113 Ų11368%0.67558%0.578SS**Hα-helixtrans-62.5-37.2175.3-79.2178.3170179.6-1.7112.6A767 A768 R775A767-R771 WeakPolarHBondContact O-CG 3.18Å; A767-R771 PolarHBondContact O-N 3.31Å; A768-R771 WeakPolarHBondContact O-CB 3.36Å; A768-R771 PolarHBondContact O-N 3.13Å; A768-R771 VanDerWaalsContact O-N 3.14Å; R771-R775 WeakPolarHBondContact O-CB 3.41Å; R771-R775 VanDerWaalsContact O-CG 3.27Å; R771-R775 WeakPolarHBondContact O-CG 3.18Å; R771-R775 PolarHBondContact O-N 2.89Å
772D72.7Confident65.3Low79 Ų79114.9 Ų114.942%0.42259%0.591SS.*Hα-helixtrans-76.7-38.3-179-125.435.5000112.4A768 F769 Y770 I774 R775 N776A768-D772 PolarHBondContact O-N 2.64Å; F769-D772 PolarHBondContact O-N 3.15Å; Y770-D772 VanDerWaalsContact C-N 3.33Å; Y770-D772 PolarHBondContact O-N 2.72Å; D772-I774 VanDerWaalsContact C-N 3.34Å; D772-I774 PolarHBondContact O-N 3.18Å; D772-R775 PolarHBondContact O-N 2.84Å; D772-N776 PolarHBondContact O-N 3.12Å
773I71.7Confident64.6Low71 Ų71114.3 Ų114.336%0.36461%0.605SS.*Hα-helixtrans-60.6-42.8171.7-71.8172.3000111.3F769 R775 N776F769-I773 HydrophobicContact CD1-CD1 3.86Å; F769-I773 HydrophobicContact CE1-CD1 3.45Å; F769-I773 VanDerWaalsContact CE1-CD1 3.45Å; F769-I773 HydrophobicContact CE2-CD1 4.16Å; F769-I773 HydrophobicContact CG-CD1 4.38Å; F769-I773 HydrophobicContact CZ-CD1 3.64Å; F769-I773 WeakPolarHBondContact O-CG1 3.09Å; F769-I773 PolarHBondContact O-N 2.97Å; F769-I773 VanDerWaalsContact O-N 3.08Å; I773-R775 VanDerWaalsContact C-N 3.32Å; I773-R775 PolarHBondContact O-N 2.69Å; I773-N776 CarbonylContact O-C 3.57Å
774I73.5Confident63.4Low139 Ų139117.9 Ų117.971%0.71362%0.619SS**Hα-helixtrans-67.5-33.1177.3-68.3167000111.3Y770 D772Y770-I774 WeakPolarHBondContact O-CB 3.45Å; Y770-I774 WeakPolarHBondContact O-CD1 3.45Å; Y770-I774 VanDerWaalsContact O-CG1 3.24Å; Y770-I774 WeakPolarHBondContact O-CG1 3.5Å; Y770-I774 PolarHBondContact O-N 3.37Å; Y770-I774 VanDerWaalsContact O-N 3.09Å; D772-I774 VanDerWaalsContact C-N 3.34Å; D772-I774 PolarHBondContact O-N 3.18Å
775R74.2Confident61.8Low189 Ų189113.6 Ų113.671%0.71362%0.615SS**Hα-helixtrans-82.3-27.5179.1-77.3175.1169.4-175.4-4114.6R771 D772 I773R771-R775 WeakPolarHBondContact O-CB 3.41Å; R771-R775 VanDerWaalsContact O-CG 3.27Å; R771-R775 WeakPolarHBondContact O-CG 3.18Å; R771-R775 PolarHBondContact O-N 2.89Å; D772-R775 PolarHBondContact O-N 2.84Å; I773-R775 VanDerWaalsContact C-N 3.32Å; I773-R775 PolarHBondContact O-N 2.69Å
776N60.9Low60.5Low94 Ų94118.6 Ų118.650%0.50363%0.634SS.*  trans-147.677.2-178.5-84.1-73.8000112.1D772 I773 F778 K779D772-N776 PolarHBondContact O-N 3.12Å; I773-N776 CarbonylContact O-C 3.57Å; N776-F778 PolarHBondContact O-N 3.18Å; N776-K779 HydrophobicContact CB-CB 4.27Å; N776-K779 PolarHBondContact O-N 2.92Å
777P70.6Confident59.3Low95 Ų95118.6 Ų118.662%0.61765%0.65SS**THydrogen-bonded Turntrans-65.6-3.7-178.526.7-36000115
778F59Low57.3Low202 Ų202123.7 Ų123.789%0.88667%0.67SS**THydrogen-bonded Turntrans-105.94.4-178.8-65.9-71.7000114.6N776N776-F778 PolarHBondContact O-N 3.18Å
779K54.5Low55.6Low145 Ų145126.2 Ų126.263%0.6369%0.685SS**  trans-102100.1-174.6-157.9164.2-173178.70111.9N776 H781N776-K779 HydrophobicContact CB-CB 4.27Å; N776-K779 PolarHBondContact O-N 2.92Å; K779-H781 PolarHBondContact O-CD2 2.87Å; K779-H781 PolarHBondContact O-NE2 3.11Å
780A46.6Very low54Low95 Ų95126.2 Ų126.279%0.78570%0.699SS**  trans-67.8134.9176.300000111.6
781H49Very low52Low114 Ų114126.6 Ų126.653%0.52871%0.709SS.*  trans-105.1101.3178-55.5-81.8000110.2K779K779-H781 PolarHBondContact O-CD2 2.87Å; K779-H781 PolarHBondContact O-NE2 3.11Å
782S45.1Very low49.9Very low126 Ų126125.7 Ų125.788%0.88171%0.712SS**  trans-82.7137.3167.3-55.40000109.6
783G40.4Very low47.9Very low73 Ų73128.7 Ų128.775%0.75373%0.729SS**  trans-126.4120-176.400000113.7
784D40.2Very low46.1Very low179 Ų179131 Ų13196%0.95775%0.751SS**  trans-165.7157.8161.3-91.2-43000104.3
785G37.4Very low44Very low61 Ų61132 Ų13263%0.62976%0.757SS**  cis179.9158.8-1.500000107.3
786D38.9Very low42.2Very low164 Ų164128.7 Ų128.788%0.87776%0.764SS**  trans-65.5142.2-167.4-52.8-101.8000115.6
787V44.5Very low40.7Very low147 Ų147131.6 Ų131.689%0.89178%0.779SS**  trans-163.9139.7137.3-96.40000111.3
788D33.8Very low39Very low157 Ų157132.1 Ų132.184%0.8479%0.785SS**  trans-70.9149.2170.2-71.2-71.2000112.8
789S36Very low37.8Very low106 Ų106130.4 Ų130.474%0.74178%0.779SS**  155123121.7-71.20000114.5
790S35.8Very low37Very low111 Ų111128.1 Ų128.178%0.77678%0.782SS**  trans55.3100.9130.3-530000121.6
791N32.4Very low36.6Very low133 Ų133131.4 Ų131.471%0.71179%0.785SS**  85.8121.8113.3-151.357.5000121
792E30.5Very low36.2Very low159 Ų159132.1 Ų132.174%0.74380%0.798SS**  trans55.8110.8146.5-73.1176.6145.400122.7
793N30.5Very low36.2Very low143 Ų143131.6 Ų131.677%0.76579%0.791SS**  56.699.3117.9-17639.5000119.1
794S35Very low36.2Very low118 Ų118133.6 Ų133.683%0.82579%0.789SS**  trans-157.5133.7133-87.20000112.7
795N29.7Very low36.3Very low160 Ų160131.1 Ų131.186%0.85678%0.783SS**  trans-90.3126.6172.4-148.711.2000108.2
796S34.8Very low36.4Very low121 Ų121134 Ų13485%0.84679%0.789SS**  trans-159.1150.8171.5-86.90000113.1
797N29.3Very low36.8Very low154 Ų154131.2 Ų131.282%0.82478%0.78SS**  trans-130.9125.8-168.5167.741.7000110.8
798S36.1Very low36.6Very low106 Ų106132.4 Ų132.474%0.74178%0.775SS**  trans178.2160.2171.641.70000111.7
799H33.5Very low37Very low166 Ų166130.4 Ų130.477%0.76977%0.771SS**  cis-168.1160-37.4-150.4-95.9000109.4
800S36.9Very low36.9Very low98 Ų98129 Ų12969%0.68577%0.773SS**  trans67.7159.8165.976.90000117.3
801L39.1Very low37Very low163 Ų163128.3 Ų128.385%0.85377%0.768SS**  cis-124.8169.912.6-76.9162.5000113.6
802T40.1Very low37.3Very low129 Ų129130.9 Ų130.979%0.79178%0.776SS**  trans-102.8171.5-174.658.50000112.7
803P44.5Very low37.7Very low115 Ų115128.7 Ų128.775%0.74778%0.778SS**  -144.4144.183.333.3-13.6000117.8
804T41.5Very low38.3Very low115 Ų115127.7 Ų127.771%0.70678%0.779SS**  trans8.9145.7142.138.90000121.5
805P41.5Very low38.5Very low127 Ų127131.3 Ų131.383%0.82578%0.78SS**  -140.7175.352.940.9-23.1000119.5
806T40.9Very low39.1Very low123 Ų123127.8 Ų127.876%0.75577%0.766SS**  trans-148.9178.8-17225.60000108
807P46.1Very low39.2Very low105 Ų105129.7 Ų129.768%0.68276%0.762SS**  cis-143.6-163.9-34.438.8-18.5000114.5
808E41.6Very low39.8Very low171 Ų171128.8 Ų128.880%0.79976%0.757SS**  trans78.8166.4143.6-78.5-143.7134.400120.7
809P41.2Very low40.1Very low116 Ų116130 Ų13075%0.75375%0.751SS**  -142.9-178.8-81.938.5-15.4000117.2
810G34.7Very low40.4Very low76 Ų76128.1 Ų128.178%0.78475%0.746SS**  trans95.3169.5161.500000116.8
811S36.1Very low40.5Very low97 Ų97130 Ų13068%0.67874%0.744SS**  cis-165.8164.7-14.567.80000111.6
812Q39.6Very low40.7Very low186 Ų186129 Ų12987%0.86974%0.74SS**  trans80.8143.4161.5-61.8170.255.900120.5
813S38.7Very low41Very low113 Ų113130 Ų13079%0.7974%0.738SS**  trans-95.1-165.9174.3-270000110.1
814P42.6Very low41.3Very low122 Ų122128.8 Ų128.879%0.79273%0.73SS**  cis-142.6-174.714.142.7-20.9000118.6
815K40.8Very low41.2Very low194 Ų194131.4 Ų131.484%0.84373%0.734SS**  trans-28.7169.1150.4-86.2-171.1173.6-166.60117.2
816P41.3Very low41.2Very low86 Ų86132.1 Ų132.156%0.55873%0.73SS**  cis-150.3-169.233.144.4-23.6000119.3
817E37.7Very low41.3Very low161 Ų161131.5 Ų131.575%0.75273%0.728SS**  trans68.9148.6146.4-81.5133.9-127.400120
818D40.3Very low40.9Very low136 Ų136132.1 Ų132.173%0.72773%0.73SS**  cis-175.2171.2-17.7-117.823000109
819H42.8Very low40.9Very low130 Ų130131.8 Ų131.860%0.60273%0.732SS**  cis-161.8-165.7-10.4-158.5-111.7000109.6
820D40.2Very low40.8Very low127 Ų127130.3 Ų130.368%0.67973%0.729SS**  trans75.4147.8152.3-65.4-36.7000123.4
821Q40.1Very low41.2Very low137 Ų137132.9 Ų132.964%0.6473%0.732SS**  cis-165.9-175.6-43.5-123.6-173.5109.300112
822D42.3Very low41.4Very low142 Ų142133 Ų13376%0.75974%0.739SS**  trans76.7140.6171.3-65-38.4000120.5
823M46.1Very low41.3Very low152 Ų152132.3 Ų132.375%0.74974%0.74SS**  cis164.2170.8-32.4-91.3-92.7-74.200108
824P50.7Low41.6Very low89 Ų89132.4 Ų132.458%0.57874%0.738SS**  cis-142-166.2-41.442.3-24.1000116.3
825E39.8Very low41.6Very low169 Ų169131.8 Ų131.879%0.7973%0.734SS**  trans77.8119.6161.7-65.1-172.6108.500119.7
826L41Very low41.5Very low142 Ų142129.2 Ų129.274%0.74374%0.735SS**  cis89.2163.333.1-62.7176.9000114.1V828L826-V828 HydrophobicContact CD2-CG2 4.28Å
827P44.4Very low41.3Very low111 Ų111131.5 Ų131.572%0.72175%0.748SS**  cis-121.8147.82.76.321.2000116.7
828V37.7Very low41.5Very low118 Ų118129.6 Ų129.672%0.71575%0.749SS**  72.1126.290.5-179.60000113.2L826L826-V828 HydrophobicContact CD2-CG2 4.28Å
829I40.4Very low41.5Very low164 Ų164127.7 Ų127.784%0.84175%0.746SS**  -162161.467.6-62164.6000107.5
830A38.9Very low41Very low85 Ų85129.5 Ų129.570%0.70276%0.76SS**  cis-173.5166.1-37.400000108.4
831P44.1Very low40.7Very low130 Ų130133.3 Ų133.384%0.84477%0.766SS**  trans-118.6167.5-161.141.7-33.3000117.9
832A39.2Very low40.9Very low100 Ų100133.3 Ų133.383%0.82678%0.775SS**  trans-154.6118.2163.500000115.6
833L38.1Very low40.6Very low171 Ų171136.7 Ų136.790%0.89578%0.777SS**  trans10.7146.2155.9-66.4160.5000123.9
834P45.4Very low40.7Very low115 Ų115136.4 Ų136.475%0.74777%0.768SS**  trans-97.8168.1179.940.4-37.1000115.2
835P43.1Very low40.4Very low109 Ų109135.2 Ų135.271%0.70876%0.762SS**  trans-140156.5140.938.3-25.2000116
836T37.5Very low41.1Very low139 Ų139135.1 Ų135.185%0.85376%0.763SS**  trans65.1131.4157.749.10000121.1
837T37.8Very low41.4Very low135 Ų135138 Ų13883%0.82877%0.765SS**  trans-73.4161.1171.552.40000113.5
838P42.3Very low41.9Very low121 Ų121136.6 Ų136.679%0.78675%0.752SS**  -117.416211934.5-34.1000114
839S38.8Very low42Very low95 Ų95137.9 Ų137.966%0.66475%0.748SS**  trans-40.4137.817847.70000115.3Y841S839-Y841 PolarHBondContact O-N 3.34Å
840L32.2Very low43.2Very low169 Ų169132.6 Ų132.689%0.88572%0.722SS**SBend52.642.364-61.6-178.8000114.9
841Y35.2Very low44.3Very low206 Ų206132.8 Ų132.881%0.80872%0.716SS**  trans-175.390.2139.6-119.3-90.9000110.5S839S839-Y841 PolarHBondContact O-N 3.34Å
842V43.5Very low45.3Very low138 Ų138130.9 Ų130.984%0.83670%0.702SS**  trans-130.399.1161.9-178.40000107.1R844V842-R844 PolarHBondContact O-N 3Å
843R36.8Very low46.4Very low213 Ų213131.5 Ų131.580%0.80469%0.686SS**PPolyproline II helixtrans-63.8131.6161.3-80.5-174.4175.6177.1-1.7106.8S845R843-S845 PolarHBondContact O-N 3.39Å
844R48.6Very low47.3Very low145 Ų145128.8 Ų128.855%0.54767%0.668SS.*PPolyproline II helixtrans-57.9125.7161.6-161.7131.9-167.4-157.6-9.7106.8V842 D848 D850V842-R844 PolarHBondContact O-N 3Å; R844-D848 WeakPolarHBondContact CD-OD2 3.44Å; R844-D848 HydrophobicContact CG-CB 4.06Å; R844-D848 WeakPolarHBondContact CG-OD2 3.29Å; R844-D848 IonicContact CZ-OD2 3.86Å; R844-D848 IonicContact NE-OD2 2.7Å; R844-D848 PolarHBondContact NE-OD2 2.93Å; R844-D848 IonicContact NH2-OD2 2.67Å; R844-D848 PolarHBondContact NH2-OD2 2.93Å; R844-D850 IonicContact CZ-OD2 3.41Å; R844-D850 IonicContact NH1-OD2 2.67Å; R844-D850 PolarHBondContact NH1-OD2 2.89Å; R844-D850 IonicContact NH2-OD2 3.4Å; R844-D850 PolarHBondContact NH2-OD2 2.83Å
845S43.2Very low47.9Very low65 Ų65130.3 Ų130.346%0.45567%0.666SS.*PPolyproline II helixtrans-72.2151.4-171.1-174.30000110.5R843 Y847 D848R843-S845 PolarHBondContact O-N 3.39Å; S845-Y847 PolarHBondContact O-N 3.44Å; S845-Y847 PolarHBondContact OG-N 3.04Å; S845-D848 PolarHBondContact O-N 2.76Å
846M55Low48.6Very low166 Ų166131.4 Ų131.482%0.81866%0.661SS**THydrogen-bonded Turntrans-57.8-12.5167.1-87.1-66.3-57.700113.3
847Y47Very low49.2Very low202 Ų202130.5 Ų130.579%0.79265%0.647SS**THydrogen-bonded Turntrans-107.14.5-179.6-56-71.1000113.7S845 F849S845-Y847 PolarHBondContact O-N 3.44Å; S845-Y847 PolarHBondContact OG-N 3.04Å; Y847-F849 VanDerWaalsContact C-N 3.29Å; Y847-F849 PolarHBondContact O-N 3.03Å; Y847-F849 VanDerWaalsContact O-N 3.14Å
848D55.2Low50.1Low82 Ų82125.7 Ų125.744%0.43962%0.624SS.*  trans-91.261.3-176.3-162.433.9000111.4R844 S845 D850R844-D848 WeakPolarHBondContact CD-OD2 3.44Å; R844-D848 HydrophobicContact CG-CB 4.06Å; R844-D848 WeakPolarHBondContact CG-OD2 3.29Å; R844-D848 IonicContact CZ-OD2 3.86Å; R844-D848 IonicContact NE-OD2 2.7Å; R844-D848 PolarHBondContact NE-OD2 2.93Å; R844-D848 IonicContact NH2-OD2 2.67Å; R844-D848 PolarHBondContact NH2-OD2 2.93Å; S845-D848 PolarHBondContact O-N 2.76Å; D848-D850 PolarHBondContact O-N 3.18Å
849F39.6Very low51.1Low145 Ų145129 Ų12964%0.63662%0.621SS**  trans-62.3123.1-179.8-92.5-96.6000111.5Y847 P851 E854Y847-F849 VanDerWaalsContact C-N 3.29Å; Y847-F849 PolarHBondContact O-N 3.03Å; Y847-F849 VanDerWaalsContact O-N 3.14Å; F849-P851 WeakPolarHBondContact O-CD 3.3Å; F849-E854 WeakPolarHBondContact CD1-OE2 3.35Å; F849-E854 WeakPolarHBondContact CE1-OE1 3.35Å
850D64.8Low51.9Low53 Ų53131 Ų13128%0.28362%0.62SS.*  trans-11980.7-178-161.7-20.3000107.2R844 D848 V852 K853R844-D850 IonicContact CZ-OD2 3.41Å; R844-D850 IonicContact NH1-OD2 2.67Å; R844-D850 PolarHBondContact NH1-OD2 2.89Å; R844-D850 IonicContact NH2-OD2 3.4Å; R844-D850 PolarHBondContact NH2-OD2 2.83Å; D848-D850 PolarHBondContact O-N 3.18Å; D850-V852 PolarHBondContact O-N 2.68Å; D850-K853 HydrophobicContact CB-CD 4.32Å; D850-K853 HydrophobicContact CB-CG 4.28Å; D850-K853 WeakPolarHBondContact O-CB 3.38Å; D850-K853 PolarHBondContact O-N 3.36Å; D850-K853 WeakPolarHBondContact OD2-CE 3.39Å
851P62.6Low53Low90 Ų90128.5 Ų128.558%0.58460%0.604SS**Hα-helixtrans-65.5-18.4-159.324.4-35.4000114.2F849 K853 Q855F849-P851 WeakPolarHBondContact O-CD 3.3Å; P851-K853 VanDerWaalsContact C-N 3.29Å; P851-Q855 PolarHBondContact O-N 3.11Å
852V65.7Low54.1Low90 Ų90123.6 Ų123.655%0.54559%0.591SS.*Hα-helixtrans-65.4-36.4171.8-175.50000110.5D850 Q855 E856D850-V852 PolarHBondContact O-N 2.68Å; V852-Q855 PolarHBondContact O-N 3.06Å; V852-E856 PolarHBondContact O-N 3.36Å; V852-E856 VanDerWaalsContact O-N 3.09Å
853K61.8Low55Low112 Ų112122.1 Ų122.149%0.48758%0.578SS.*Hα-helixtrans-76.4-34.2-177.8-59.6-165.1178.3-156.30113D850 P851 Q855 E856 H857D850-K853 HydrophobicContact CB-CD 4.32Å; D850-K853 HydrophobicContact CB-CG 4.28Å; D850-K853 WeakPolarHBondContact O-CB 3.38Å; D850-K853 PolarHBondContact O-N 3.36Å; D850-K853 WeakPolarHBondContact OD2-CE 3.39Å; P851-K853 VanDerWaalsContact C-N 3.29Å; K853-Q855 VanDerWaalsContact C-N 3.28Å; K853-E856 PolarHBondContact O-N 2.91Å; K853-H857 WeakPolarHBondContact O-CB 3.36Å; K853-H857 PolarHBondContact O-N 3.32Å
854E56.6Low56.1Low114 Ų114115.4 Ų115.453%0.53356%0.561SS.*Hα-helixtrans-62.6-38.1169.2-80.8179.9130.900111.2F849 H857 G858F849-E854 WeakPolarHBondContact CD1-OE2 3.35Å; F849-E854 WeakPolarHBondContact CE1-OE1 3.35Å; E854-H857 PolarHBondContact O-N 2.84Å; E854-G858 PolarHBondContact O-N 3.4Å
855Q58.2Low56.7Low148 Ų148114.2 Ų114.269%0.69256%0.561SS**Hα-helixtrans-69.2-31.9177.2-168.8169.748.200113.2P851 V852 K853 R859P851-Q855 PolarHBondContact O-N 3.11Å; V852-Q855 PolarHBondContact O-N 3.06Å; K853-Q855 VanDerWaalsContact C-N 3.28Å; Q855-R859 PolarHBondContact O-N 2.93Å
856E57.6Low57.7Low132 Ų132116.2 Ų116.262%0.61756%0.564SS**Hα-helixtrans-74.1-44.8170.9-70.3-175.7141.600112V852 K853 R859 Q860V852-E856 PolarHBondContact O-N 3.36Å; V852-E856 VanDerWaalsContact O-N 3.09Å; K853-E856 PolarHBondContact O-N 2.91Å; E856-R859 WeakPolarHBondContact O-CB 3.44Å; E856-R859 PolarHBondContact O-N 3.34Å; E856-Q860 PolarHBondContact O-N 2.92Å
857H51.4Low58.1Low119 Ų119115.9 Ų115.955%0.55156%0.557SS**Hα-helixtrans-62.4-47.4178.7-123.5-86.2000111.9K853 E854 R859 Q860 E861K853-H857 WeakPolarHBondContact O-CB 3.36Å; K853-H857 PolarHBondContact O-N 3.32Å; E854-H857 PolarHBondContact O-N 2.84Å; H857-R859 VanDerWaalsContact C-N 3.26Å; H857-R859 PolarHBondContact O-N 3.45Å; H857-Q860 CarbonylContact O-C 3.54Å; H857-Q860 WeakPolarHBondContact O-CA 3.3Å; H857-Q860 PolarHBondContact O-N 3.48Å; H857-E861 PolarHBondContact O-N 3.5Å
858G56.4Low58.8Low34 Ų34110.5 Ų110.535%0.35154%0.54SS..Hα-helixtrans-64.4-29.3178.200000113.3E854 L862E854-G858 PolarHBondContact O-N 3.4Å; G858-L862 VanDerWaalsContact O-CB 3.3Å; G858-L862 WeakPolarHBondContact O-CB 3.38Å; G858-L862 PolarHBondContact O-N 3.23Å
859R63Low59Low192 Ų192112.5 Ų112.573%0.72555%0.546SS*.Hα-helixtrans-68.8-36.1169.2-104.9-179.4159.6172.1-5.2112.6Q855 E856 H857 L863Q855-R859 PolarHBondContact O-N 2.93Å; E856-R859 WeakPolarHBondContact O-CB 3.44Å; E856-R859 PolarHBondContact O-N 3.34Å; H857-R859 VanDerWaalsContact C-N 3.26Å; H857-R859 PolarHBondContact O-N 3.45Å; R859-L863 WeakPolarHBondContact O-CB 3.44Å; R859-L863 WeakPolarHBondContact O-CG 3.33Å; R859-L863 PolarHBondContact O-N 3.18Å
860Q55.1Low59.9Low135 Ų135114 Ų11463%0.63155%0.549SS*.Hα-helixtrans-80.1-31.8-178.6-159.9160.237.800112.1E856 H857 T864E856-Q860 PolarHBondContact O-N 2.92Å; H857-Q860 CarbonylContact O-C 3.54Å; H857-Q860 WeakPolarHBondContact O-CA 3.3Å; H857-Q860 PolarHBondContact O-N 3.48Å; Q860-T864 WeakPolarHBondContact O-CB 3.1Å; Q860-T864 PolarHBondContact O-N 2.83Å; Q860-T864 PolarHBondContact O-OG1 3.49Å
861E55.1Low59.5Low117 Ų117118.1 Ų118.155%0.54757%0.567SS.*Hα-helixtrans-64.2-52.1167.2-75.5178.7131.800110.7H857 L863 T864 E865H857-E861 PolarHBondContact O-N 3.5Å; E861-L863 VanDerWaalsContact C-N 3.33Å; E861-L863 PolarHBondContact O-N 3.23Å; E861-T864 CarbonylContact O-C 3.5Å; E861-T864 WeakPolarHBondContact O-CA 3.44Å; E861-T864 WeakPolarHBondContact O-CB 3.24Å; E861-T864 PolarHBondContact O-N 3Å; E861-E865 WeakPolarHBondContact O-CG 3.49Å; E861-E865 PolarHBondContact O-N 3.31Å
862L58.9Low59.1Low104 Ų104118.9 Ų118.955%0.54556%0.558SS.*Hα-helixtrans-59.1-40.6-179-165.9155.1000112.6G858 T864 E865 E866G858-L862 VanDerWaalsContact O-CB 3.3Å; G858-L862 WeakPolarHBondContact O-CB 3.38Å; G858-L862 PolarHBondContact O-N 3.23Å; L862-T864 VanDerWaalsContact C-N 3.25Å; L862-T864 PolarHBondContact O-N 3.3Å; L862-E865 PolarHBondContact O-N 3Å; L862-E866 WeakPolarHBondContact O-CB 3.34Å; L862-E866 PolarHBondContact O-N 2.87Å
863L61.7Low58.5Low107 Ų107121 Ų12156%0.5657%0.566SS**Hα-helixtrans-69.6-18.5173.1-73.2171.2000114.1R859 E861R859-L863 WeakPolarHBondContact O-CB 3.44Å; R859-L863 WeakPolarHBondContact O-CG 3.33Å; R859-L863 PolarHBondContact O-N 3.18Å; E861-L863 VanDerWaalsContact C-N 3.33Å; E861-L863 PolarHBondContact O-N 3.23Å
864T61.1Low58.1Low71 Ų71120.9 Ų120.944%0.43658%0.575SS.*Hα-helixtrans-85.9-41.7173.1-56.60000110.2Q860 E861 L862 K867 E868Q860-T864 WeakPolarHBondContact O-CB 3.1Å; Q860-T864 PolarHBondContact O-N 2.83Å; Q860-T864 PolarHBondContact O-OG1 3.49Å; E861-T864 CarbonylContact O-C 3.5Å; E861-T864 WeakPolarHBondContact O-CA 3.44Å; E861-T864 WeakPolarHBondContact O-CB 3.24Å; E861-T864 PolarHBondContact O-N 3Å; L862-T864 VanDerWaalsContact C-N 3.25Å; L862-T864 PolarHBondContact O-N 3.3Å; T864-K867 PolarHBondContact O-N 3.26Å; T864-E868 WeakPolarHBondContact O-CG 2.94Å; T864-E868 PolarHBondContact O-N 3.27Å
865E59.7Low57.8Low120 Ų120118.8 Ų118.856%0.56157%0.567SS**Hα-helixtrans-59.2-45.8173.4-68.9-179.613700111.6E861 L862 K867 E868 Q869E861-E865 WeakPolarHBondContact O-CG 3.49Å; E861-E865 PolarHBondContact O-N 3.31Å; L862-E865 PolarHBondContact O-N 3Å; E865-K867 VanDerWaalsContact C-N 3.31Å; E865-K867 PolarHBondContact O-N 2.77Å; E865-E868 PolarHBondContact O-N 2.87Å; E865-Q869 WeakPolarHBondContact O-CB 3.37Å; E865-Q869 PolarHBondContact O-N 2.81Å
866E65Low57.6Low108 Ų108120.4 Ų120.451%0.50558%0.577SS.*Hα-helixtrans-61.9-38.5177.9-160.5178.1-177.200111.8L862 Q869 Y870L862-E866 WeakPolarHBondContact O-CB 3.34Å; L862-E866 PolarHBondContact O-N 2.87Å; E866-Q869 PolarHBondContact O-N 3.41Å; E866-Y870 PolarHBondContact O-N 2.7Å; E866-Y870 VanDerWaalsContact O-N 3.17Å
867K64Low57.6Low158 Ų158123.1 Ų123.169%0.68758%0.581SS**Hα-helixtrans-68-46.1172.4-97-175.4171-176.60112.9T864 E865 Q869 Y870 Q871T864-K867 PolarHBondContact O-N 3.26Å; E865-K867 VanDerWaalsContact C-N 3.31Å; E865-K867 PolarHBondContact O-N 2.77Å; K867-Q869 PolarHBondContact O-N 2.67Å; K867-Y870 PolarHBondContact O-N 2.95Å; K867-Q871 WeakPolarHBondContact O-CB 3.44Å; K867-Q871 PolarHBondContact O-N 3.49Å
868E62.3Low58Low90 Ų90123 Ų12342%0.42158%0.584SS.*Hα-helixtrans-63.5-31.1176.5-73.3-167167.500111.7T864 E865 Q871 R872T864-E868 WeakPolarHBondContact O-CG 2.94Å; T864-E868 PolarHBondContact O-N 3.27Å; E865-E868 PolarHBondContact O-N 2.87Å; E868-Q871 PolarHBondContact O-N 2.92Å; E868-R872 WeakPolarHBondContact O-CB 3.48Å; E868-R872 WeakPolarHBondContact O-CD 2.96Å; E868-R872 WeakPolarHBondContact O-CG 3.36Å; E868-R872 PolarHBondContact O-N 3.21Å; E868-R872 IonicContact OE2-CZ 2.64Å; E868-R872 IonicContact OE2-NH1 2.68Å; E868-R872 IonicContact OE2-NH2 3.78Å; E868-R872 PolarHBondContact OE2-NH2 3.11Å
869Q59.4Low57.8Low123 Ų123125.1 Ų125.158%0.57559%0.592SS**Hα-helixtrans-68.8-45.7176.5-166.5158.1-17.200111.6E865 E866 K867 Q871 R872 D873E865-Q869 WeakPolarHBondContact O-CB 3.37Å; E865-Q869 PolarHBondContact O-N 2.81Å; E866-Q869 PolarHBondContact O-N 3.41Å; K867-Q869 PolarHBondContact O-N 2.67Å; Q869-Q871 VanDerWaalsContact C-N 3.3Å; Q869-Q871 PolarHBondContact O-N 3.05Å; Q869-R872 WeakPolarHBondContact O-CB 3.27Å; Q869-R872 PolarHBondContact O-N 3.09Å; Q869-D873 PolarHBondContact O-N 3.3Å; Q869-D873 VanDerWaalsContact O-N 3.15Å
870Y58Low56.9Low176 Ų176123.9 Ų123.969%0.6959%0.592SS**Hα-helixtrans-60.7-37.2168.8-96.8-88000113E866 K867 R872 D873 T874E866-Y870 PolarHBondContact O-N 2.7Å; E866-Y870 VanDerWaalsContact O-N 3.17Å; K867-Y870 PolarHBondContact O-N 2.95Å; Y870-R872 VanDerWaalsContact C-N 3.34Å; Y870-D873 PolarHBondContact O-N 2.82Å; Y870-T874 PolarHBondContact O-N 3.47Å; Y870-T874 PolarHBondContact O-OG1 3.25Å
871Q56.8Low57Low141 Ų141125.6 Ų125.666%0.65960%0.6SS**Hα-helixtrans-67-35.4176.8-150.183.463.900111.9K867 E868 Q869 T874 D875K867-Q871 WeakPolarHBondContact O-CB 3.44Å; K867-Q871 PolarHBondContact O-N 3.49Å; E868-Q871 PolarHBondContact O-N 2.92Å; Q869-Q871 VanDerWaalsContact C-N 3.3Å; Q869-Q871 PolarHBondContact O-N 3.05Å; Q871-T874 PolarHBondContact O-N 3.18Å; Q871-D875 PolarHBondContact O-N 3.36Å
872R53.2Low57Low106 Ų106125.7 Ų125.740%0.461%0.611SS.*Hα-helixtrans-69-33.3176.7-77.3161.5-172.9136.31.1113.1E868 Q869 Y870 T874 P879E868-R872 WeakPolarHBondContact O-CB 3.48Å; E868-R872 WeakPolarHBondContact O-CD 2.96Å; E868-R872 WeakPolarHBondContact O-CG 3.36Å; E868-R872 PolarHBondContact O-N 3.21Å; E868-R872 IonicContact OE2-CZ 2.64Å; E868-R872 IonicContact OE2-NH1 2.68Å; E868-R872 IonicContact OE2-NH2 3.78Å; E868-R872 PolarHBondContact OE2-NH2 3.11Å; Q869-R872 WeakPolarHBondContact O-CB 3.27Å; Q869-R872 PolarHBondContact O-N 3.09Å; Y870-R872 VanDerWaalsContact C-N 3.34Å; R872-T874 PolarHBondContact O-N 3.31Å; R872-P879 HydrophobicContact CB-CG 4.13Å; R872-P879 HydrophobicContact CG-CB 4.33Å; R872-P879 HydrophobicContact CG-CG 4.33Å
873D52.3Low56.7Low135 Ų135127.3 Ų127.372%0.72262%0.618SS**Hα-helixtrans-76-11.6173.3-73.2-18.4000112.9Q869 Y870Q869-D873 PolarHBondContact O-N 3.3Å; Q869-D873 VanDerWaalsContact O-N 3.15Å; Y870-D873 PolarHBondContact O-N 2.82Å
874T54.8Low56.7Low109 Ų109130.7 Ų130.767%0.66963%0.628SS**Hα-helixtrans-97.2-20.4-179.3-50.10000113.4Y870 Q871 R872Y870-T874 PolarHBondContact O-N 3.47Å; Y870-T874 PolarHBondContact O-OG1 3.25Å; Q871-T874 PolarHBondContact O-N 3.18Å; R872-T874 PolarHBondContact O-N 3.31Å
875D51Low56.4Low69 Ų69136 Ų13637%0.36965%0.647SS.*SBendtrans-96.9125.1168.6-172.32.1000110.2Q871 R877Q871-D875 PolarHBondContact O-N 3.36Å; D875-R877 PolarHBondContact O-N 2.7Å; D875-R877 IonicContact OD1-CZ 2.65Å; D875-R877 PolarHBondContact OD1-N 3.14Å; D875-R877 IonicContact OD1-NH1 3.58Å; D875-R877 PolarHBondContact OD1-NH1 2.79Å; D875-R877 WeakPolarHBondContact OD2-CD 3.45Å; D875-R877 IonicContact OD2-CZ 2.85Å; D875-R877 IonicContact OD2-NE 3.42Å; D875-R877 IonicContact OD2-NH1 2.71Å; D875-R877 PolarHBondContact OD2-NH1 3.27Å
876M52.6Low56.3Low182 Ų182139.6 Ų139.690%0.89766%0.657SS**SBendtrans-64.35.9176.8-68.1-71.2-7400114L878M876-L878 VanDerWaalsContact C-N 3.32Å; M876-L878 PolarHBondContact O-N 3.44Å
877R58.5Low56.3Low189 Ų189141.6 Ų141.671%0.71367%0.668SS**SBendtrans-84.871.8167.1-63.7-179.2-173788.2110.7D875D875-R877 PolarHBondContact O-N 2.7Å; D875-R877 IonicContact OD1-CZ 2.65Å; D875-R877 PolarHBondContact OD1-N 3.14Å; D875-R877 IonicContact OD1-NH1 3.58Å; D875-R877 PolarHBondContact OD1-NH1 2.79Å; D875-R877 WeakPolarHBondContact OD2-CD 3.45Å; D875-R877 IonicContact OD2-CZ 2.85Å; D875-R877 IonicContact OD2-NE 3.42Å; D875-R877 IonicContact OD2-NH1 2.71Å; D875-R877 PolarHBondContact OD2-NH1 3.27Å
878L59Low56.2Low116 Ų116139.2 Ų139.261%0.60767%0.669SS**  trans-35.6121.3175.3-69.9160.1000112.1M876 F880M876-L878 VanDerWaalsContact C-N 3.32Å; M876-L878 PolarHBondContact O-N 3.44Å; L878-F880 HydrophobicContact CB-CD2 3.78Å; L878-F880 HydrophobicContact CB-CE2 3.55Å; L878-F880 HydrophobicContact CB-CG 4.45Å; L878-F880 HydrophobicContact CB-CZ 4.03Å; L878-F880 HydrophobicContact CD1-CE2 3.59Å; L878-F880 HydrophobicContact CD1-CZ 3.86Å; L878-F880 HydrophobicContact CG-CE2 4.13Å; L878-F880 HydrophobicContact CG-CZ 4.36Å; L878-F880 PolarHBondContact O-N 2.98Å
879P51.5Low55.9Low80 Ų80139 Ų13952%0.51968%0.682SS.*  trans-78.857.9-175.535.9-40.1000111.2R872 E881R872-P879 HydrophobicContact CB-CG 4.13Å; R872-P879 HydrophobicContact CG-CB 4.33Å; R872-P879 HydrophobicContact CG-CG 4.33Å; P879-E881 VanDerWaalsContact C-N 3.34Å; P879-E881 PolarHBondContact O-N 2.71Å
880F44.5Very low55.9Low165 Ų165136.5 Ų136.572%0.72468%0.676SS**  trans-68.194.5169.5-62.9-54.3000109.3L878L878-F880 HydrophobicContact CB-CD2 3.78Å; L878-F880 HydrophobicContact CB-CE2 3.55Å; L878-F880 HydrophobicContact CB-CG 4.45Å; L878-F880 HydrophobicContact CB-CZ 4.03Å; L878-F880 HydrophobicContact CD1-CE2 3.59Å; L878-F880 HydrophobicContact CD1-CZ 3.86Å; L878-F880 HydrophobicContact CG-CE2 4.13Å; L878-F880 HydrophobicContact CG-CZ 4.36Å; L878-F880 PolarHBondContact O-N 2.98Å
881E58.2Low56.1Low171 Ų171134.7 Ų134.780%0.79967%0.674SS**  trans-45.8133.8136.1-77.5-147.8131.800107.1P879 M883P879-E881 VanDerWaalsContact C-N 3.34Å; P879-E881 PolarHBondContact O-N 2.71Å; E881-M883 VanDerWaalsContact C-N 3.28Å; E881-M883 PolarHBondContact O-N 3.05Å
882P53.8Low56.2Low120 Ų120133.8 Ų133.878%0.77967%0.672SS**  trans-65.195.3179.826.6-33.3000108K884P882-K884 PolarHBondContact O-N 3.34Å
883M54.3Low56.1Low138 Ų138132.6 Ų132.668%0.6867%0.673SS**  trans-51.6114.8-171.5-168.417579.400107.7E881 H885E881-M883 VanDerWaalsContact C-N 3.28Å; E881-M883 PolarHBondContact O-N 3.05Å; M883-H885 PolarHBondContact O-N 3.13Å; M883-H885 PolarHBondContact O-ND1 2.95Å
884K59.8Low56.3Low177 Ų177130.7 Ų130.777%0.7768%0.677SS**  trans-47.7117.7179-68.8172.4-175.6164.80105.5P882 Y886P882-K884 PolarHBondContact O-N 3.34Å; K884-Y886 VanDerWaalsContact C-N 3.27Å; K884-Y886 WeakPolarHBondContact O-CD2 3.37Å; K884-Y886 PolarHBondContact O-N 3.38Å
885H56.6Low56.6Low184 Ų184127.4 Ų127.485%0.85266%0.661SS**  trans-64.896.9-172.1-76.425.3000107.6M883 M887M883-H885 PolarHBondContact O-N 3.13Å; M883-H885 PolarHBondContact O-ND1 2.95Å; H885-M887 PolarHBondContact O-N 3.29Å
886Y56.1Low57.3Low194 Ų194131.2 Ų131.276%0.76168%0.679SS**PPolyproline II helixtrans-54.7127.7170.4-77.3-91.9000106.1K884K884-Y886 VanDerWaalsContact C-N 3.27Å; K884-Y886 WeakPolarHBondContact O-CD2 3.37Å; K884-Y886 PolarHBondContact O-N 3.38Å
887M65.9Low57.7Low151 Ų151131.4 Ų131.474%0.74468%0.675SS**PPolyproline II helixtrans-51.6126.9175.6-163.1177.378.900106.9H885 A889H885-M887 PolarHBondContact O-N 3.29Å; M887-A889 PolarHBondContact O-N 3.33Å
888P60.8Low58.1Low108 Ų108124.8 Ų124.870%0.70166%0.658SS**PPolyproline II helixtrans-57120.5-173.822.4-33000108.1T890P888-T890 PolarHBondContact O-N 3.46Å
889A57.1Low58.3Low84 Ų84123.7 Ų123.769%0.69465%0.65SS**  trans-57.5110.3-175.600000108.3M887M887-A889 PolarHBondContact O-N 3.33Å
890T60.1Low59.4Low72 Ų72125.9 Ų125.944%0.44266%0.662SS.*  trans-69151.6176.9630000107.3P888 I892 D893P888-T890 PolarHBondContact O-N 3.46Å; T890-I892 PolarHBondContact O-N 2.93Å; T890-D893 PolarHBondContact N-OD2 2.95Å; T890-D893 PolarHBondContact O-N 3.05Å; T890-D893 PolarHBondContact OG1-OD2 3.19Å
891E61.9Low61Low138 Ų138124 Ų12465%0.64567%0.666SS**THydrogen-bonded Turntrans-63.74.4-174-59.5-175.513300114.4C343C343-E891 WeakPolarHBondContact CA-OE2 3.41Å; C343-E891 WeakPolarHBondContact CB-OE1 3.49Å; C343-E891 PolarHBondContact SG-OE1 2.9Å
892I58.4Low61.8Low122 Ų122121.6 Ų121.663%0.62666%0.658SS**THydrogen-bonded Turntrans-88.2-33.9172.8-48.8178.8000111.1T890 A894 A895 S898T890-I892 PolarHBondContact O-N 2.93Å; I892-A894 PolarHBondContact O-N 3.25Å; I892-A894 VanDerWaalsContact O-N 3.12Å; I892-A895 VanDerWaalsContact O-CB 3.29Å; I892-A895 WeakPolarHBondContact O-CB 3.49Å; I892-A895 PolarHBondContact O-N 3.08Å; I892-S898 WeakPolarHBondContact O-CB 3.49Å
893D51.9Low63Low80 Ų80127.4 Ų127.443%0.42866%0.664SS.*THydrogen-bonded Turntrans-64-23.8-172-65.4-49.9000113.1T890 S898T890-D893 PolarHBondContact N-OD2 2.95Å; T890-D893 PolarHBondContact O-N 3.05Å; T890-D893 PolarHBondContact OG1-OD2 3.19Å; D893-S898 WeakPolarHBondContact O-CB 3.11Å; D893-S898 PolarHBondContact O-OG 2.78Å
894A55.3Low64.1Low96 Ų96130.6 Ų130.679%0.79367%0.669SS**THydrogen-bonded Turntrans-88.41.417600000114.7I892I892-A894 PolarHBondContact O-N 3.25Å; I892-A894 VanDerWaalsContact O-N 3.12Å
895A61.9Low65.2Low40 Ų40130 Ų13033%0.33167%0.669SS.*SBendtrans-69.7144.4176.700000111.5I892 F897 S898I892-A895 VanDerWaalsContact O-CB 3.29Å; I892-A895 WeakPolarHBondContact O-CB 3.49Å; I892-A895 PolarHBondContact O-N 3.08Å; A895-F897 PolarHBondContact O-N 3.09Å; A895-S898 WeakPolarHBondContact O-CB 3.43Å; A895-S898 PolarHBondContact O-N 3.38Å; A895-S898 PolarHBondContact O-OG 3.24Å
896I64.6Low66.3Low149 Ų149128.3 Ų128.376%0.76467%0.665SS**THydrogen-bonded Turntrans-621174.229.7170.2000114.9
897F61Low67.6Low185 Ų185126.2 Ų126.281%0.81166%0.662SS**THydrogen-bonded Turntrans-126.95.3177.7-52-77.7000113.1A895A895-F897 PolarHBondContact O-N 3.09Å
898S68.1Low68.6Low50 Ų50127.8 Ų127.835%0.3567%0.667SS.*SBendtrans-76.5-28.9-177.166.10000113.8I892 D893 A895I892-S898 WeakPolarHBondContact O-CB 3.49Å; D893-S898 WeakPolarHBondContact O-CB 3.11Å; D893-S898 PolarHBondContact O-OG 2.78Å; A895-S898 WeakPolarHBondContact O-CB 3.43Å; A895-S898 PolarHBondContact O-N 3.38Å; A895-S898 PolarHBondContact O-OG 3.24Å
899H63.4Low69.6Low94 Ų94128.1 Ų128.144%0.43567%0.667SS.*SBendtrans-131.4149.8-173.360.4-77.6000109.4
900T74.6Confident71Confident125 Ų125130.5 Ų130.577%0.76767%0.673SS**SBendtrans-64.8139.8167.245.10000109.1I902T900-I902 PolarHBondContact O-N 3.17Å
901P77.3Confident71.9Confident126 Ų126134.2 Ų134.282%0.81869%0.689SS**  trans-53.6109.8-170.4-31.136.6000114R903P901-R903 PolarHBondContact O-N 3.37Å
902I74.9Confident73Confident121 Ų121136.3 Ų136.362%0.62170%0.698SS**  trans-73.8126.6179.3-67.7164000108.8T900 W904T900-I902 PolarHBondContact O-N 3.17Å; I902-W904 PolarHBondContact O-N 3.06Å; I902-W904 VanDerWaalsContact O-N 3.09Å
903R79.9Confident74Confident242 Ų242139.3 Ų139.391%0.91371%0.71SS**  trans-69.1103.4169.5-79.4-175.4169.1-173-3109.8P901P901-R903 PolarHBondContact O-N 3.37Å
904W77.5Confident75.4Confident205 Ų205139 Ų13978%0.77771%0.714SS**  trans-82.8155.3167.353.9-85.9000111.2I902 L906I902-W904 PolarHBondContact O-N 3.06Å; I902-W904 VanDerWaalsContact O-N 3.09Å; W904-L906 HydrophobicContact CZ3-CB 4.2Å
905Q82Confident76.2Confident165 Ų165139.2 Ų139.277%0.77171%0.71SS**  trans-125.7134.2168.2-71.2-176.5-38.800107.9
906L80.1Confident76.9Confident148 Ų148144 Ų14478%0.77572%0.72SS**  trans-84.4119177.5-167.873.2000109.3W904W904-L906 HydrophobicContact CZ3-CB 4.2Å
907H83.6Confident77.6Confident150 Ų150139.3 Ų139.369%0.69470%0.704SS**  trans-106.2113.3164.9-74.7-78.5000108.7
908E86.2Confident78.3Confident183 Ų183138.5 Ų138.586%0.85570%0.703SS**  trans-74.4122.8170.4-173.5171.2-171.100108.8
909V82.1Confident78.6Confident115 Ų115140.5 Ų140.570%0.69771%0.709SS**  trans-122.9107.6178.7-179.80000107.7I911V909-I911 PolarHBondContact O-N 2.89Å
910T86.8Confident79.1Confident134 Ų134142 Ų14282%0.82271%0.711SS**  trans-72.2106.1177.5-45.90000109.6
911I78.9Confident79.2Confident150 Ų150139 Ų13977%0.76970%0.698SS**PPolyproline II helixtrans-85.3124.5173.6-56.7175.5000108.4V909V909-I911 PolarHBondContact O-N 2.89Å
912E83.7Confident78.9Confident182 Ų182136.3 Ų136.385%0.8568%0.682SS**PPolyproline II helixtrans-74144.1177.8-169.9171.8-169.500111.8S914E912-S914 PolarHBondContact O-N 3.35Å
913E80.9Confident78.6Confident185 Ų185131 Ų13186%0.86466%0.656SS**PPolyproline II helixtrans-68.2123.5-179.9-67.7-168.817000111.8S915E913-S915 PolarHBondContact O-N 2.96Å
914S79.5Confident78Confident75 Ų75125.7 Ų125.752%0.52465%0.646SS.*  trans-65.2107.3-178.159.90000112.4E912 Y916E912-S914 PolarHBondContact O-N 3.35Å; S914-Y916 WeakPolarHBondContact O-CD2 3.44Å; S914-Y916 WeakPolarHBondContact O-CE2 3.41Å; S914-Y916 PolarHBondContact O-N 3.32Å; S914-Y916 PolarHBondContact OG-OH 3.4Å
915S72.7Confident77.3Confident99 Ų99124.2 Ų124.269%0.69265%0.647SS**  trans-74.296.4-174.6-174.40000113.7E913 A917E913-S915 PolarHBondContact O-N 2.96Å; S915-A917 PolarHBondContact O-N 3.16Å
916Y77.4Confident76.3Confident140 Ų140121.7 Ų121.755%0.54963%0.633SS.*THydrogen-bonded Turntrans-69.421.2173.4-52.6-72.3000114.7S914 I919 R920S914-Y916 WeakPolarHBondContact O-CD2 3.44Å; S914-Y916 WeakPolarHBondContact O-CE2 3.41Å; S914-Y916 PolarHBondContact O-N 3.32Å; S914-Y916 PolarHBondContact OG-OH 3.4Å; Y916-I919 HydrophobicContact CD1-CD1 4.2Å; Y916-R920 WeakPolarHBondContact O-CG 3.34Å; Y916-R920 PolarHBondContact O-N 3.47Å; Y916-R920 PolarHBondContact O-NE 3.1Å
917A78.9Confident75.3Confident52 Ų52122.2 Ų122.243%0.4363%0.632SS.*Hα-helixtrans-64.1-48.9-177.600000112.3S915 I919 R920 A921S915-A917 PolarHBondContact O-N 3.16Å; A917-I919 PolarHBondContact O-N 2.93Å; A917-R920 PolarHBondContact O-N 3.18Å; A917-A921 PolarHBondContact O-N 3.02Å; A917-A921 VanDerWaalsContact O-N 3.07Å
918Q75.4Confident74.2Confident168 Ų168122 Ų12279%0.78563%0.631SS**Hα-helixtrans-68.2-34.4-176.6-163.3168.84.600112.5A921 S922Q918-A921 PolarHBondContact O-N 3.17Å; Q918-S922 PolarHBondContact O-N 2.99Å; Q918-S922 PolarHBondContact O-OG 3.06Å
919I74.4Confident73Confident92 Ų92123.6 Ų123.647%0.47263%0.629SS.*Hα-helixtrans-69.6-36.6175.9-62.8165.7000111.2Y916 A917 S922 A923 L940Y916-I919 HydrophobicContact CD1-CD1 4.2Å; A917-I919 PolarHBondContact O-N 2.93Å; I919-S922 PolarHBondContact O-OG 3.17Å; I919-S922 VanDerWaalsContact O-OG 3.14Å; I919-A923 VanDerWaalsContact O-CB 3.25Å; I919-A923 WeakPolarHBondContact O-CB 3.35Å; I919-A923 PolarHBondContact O-N 3.19Å; I919-L940 HydrophobicContact CG2-CD2 3.73Å
920R75.3Confident72Confident126 Ų126124.3 Ų124.348%0.47563%0.625SS.*Hα-helixtrans-68.6-34.9173.4-73.4178.4-73.9-173.2-0.7112.2Y916 A917 L924 L940Y916-R920 WeakPolarHBondContact O-CG 3.34Å; Y916-R920 PolarHBondContact O-N 3.47Å; Y916-R920 PolarHBondContact O-NE 3.1Å; A917-R920 PolarHBondContact O-N 3.18Å; R920-L924 PolarHBondContact O-N 2.95Å; R920-L940 WeakPolarHBondContact CG-O 3.18Å
921A74.8Confident71Confident60 Ų60119.1 Ų119.150%0.49659%0.592SS.*Hα-helixtrans-67-44.9174.700000112.7A917 Q918 L924A917-A921 PolarHBondContact O-N 3.02Å; A917-A921 VanDerWaalsContact O-N 3.07Å; Q918-A921 PolarHBondContact O-N 3.17Å; A921-L924 PolarHBondContact O-N 3.39Å
922S72.9Confident70.4Confident70 Ų70119.3 Ų119.349%0.4958%0.583SS.*Hα-helixtrans-68.8-35.6177.362.50000112.6Q918 I919 L924 H925 K926Q918-S922 PolarHBondContact O-N 2.99Å; Q918-S922 PolarHBondContact O-OG 3.06Å; I919-S922 PolarHBondContact O-OG 3.17Å; I919-S922 VanDerWaalsContact O-OG 3.14Å; S922-L924 VanDerWaalsContact C-N 3.31Å; S922-L924 PolarHBondContact O-N 3.04Å; S922-H925 PolarHBondContact O-N 3.07Å; S922-H925 VanDerWaalsContact O-N 3.11Å; S922-K926 PolarHBondContact O-N 3.33Å
923A66.6Low69.9Low10 Ų10114.3 Ų114.38%0.08356%0.562CS.*Hα-helixtrans-65.8-28.3174.900000113.9I919 H925 L931 L940 L942I919-A923 VanDerWaalsContact O-CB 3.25Å; I919-A923 WeakPolarHBondContact O-CB 3.35Å; I919-A923 PolarHBondContact O-N 3.19Å; A923-H925 PolarHBondContact O-N 3.26Å; A923-L931 HydrophobicContact CB-CD1 3.95Å; A923-L931 WeakPolarHBondContact O-CD1 3.34Å; A923-L940 HydrophobicContact CB-CD1 3.88Å; A923-L940 HydrophobicContact CB-CD2 4.3Å; A923-L940 HydrophobicContact CB-CG 4.47Å; A923-L942 HydrophobicContact CB-CD1 4.21Å
924L68Low69.7Low131 Ų131108.8 Ų108.869%0.68654%0.542SS*.Hα-helixtrans-69.6-20.7172.4-96.2168.6000113.4R920 A921 S922 L942R920-L924 PolarHBondContact O-N 2.95Å; A921-L924 PolarHBondContact O-N 3.39Å; S922-L924 VanDerWaalsContact C-N 3.31Å; S922-L924 PolarHBondContact O-N 3.04Å; L924-L942 HydrophobicContact CD2-CD2 3.89Å; L924-L942 HydrophobicContact CG-CD2 3.92Å
925H62.5Low69.5Low174 Ų174113.9 Ų113.981%0.80655%0.55SS**Hα-helixtrans-103.9-12.6-171-129.3-63.1000114.6S922 A923S922-H925 PolarHBondContact O-N 3.07Å; S922-H925 VanDerWaalsContact O-N 3.11Å; A923-H925 PolarHBondContact O-N 3.26Å
926K62.1Low69.7Low111 Ų111113.4 Ų113.448%0.48354%0.538SS..SBendtrans-79.4139.8172.9-81.4-169.9153.3-149.10111.2S922 E930 L931S922-K926 PolarHBondContact O-N 3.33Å; K926-E930 WeakPolarHBondContact CD-OE2 3.32Å; K926-E930 WeakPolarHBondContact CE-OE2 3.36Å; K926-E930 IonicContact NZ-OE1 3.5Å; K926-E930 IonicContact NZ-OE2 3.34Å; K926-E930 PolarHBondContact NZ-OE2 3.26Å; K926-L931 HydrophobicContact CB-CD1 4.37Å
927E58.8Low69.7Low159 Ų159107.5 Ų107.574%0.74352%0.515SS*.  trans-59.2150.5-178.5-71.7-160.9150.400112.5R929 E930E927-R929 PolarHBondContact O-N 3.16Å; E927-E930 PolarHBondContact O-N 3.09Å
928Q59.3Low69.7Low145 Ų145113.6 Ų113.668%0.67853%0.526SS*.THydrogen-bonded Turntrans-55.70.7-173.6-156.3175.541.200116.1T945Q928-T945 HydrophobicContact CG-CG2 4.34Å
929R61.4Low69.8Low218 Ų218111.5 Ų111.582%0.82352%0.519SS*.THydrogen-bonded Turntrans-97.9-34.9-169.9-157.6173.8-170.9175.9-1.1113.5E927E927-R929 PolarHBondContact O-N 3.16Å
930E61.2Low69.8Low130 Ų130108.1 Ų108.161%0.60750%0.502SS*.THydrogen-bonded Turntrans-80.4-45.2174.8-66.2-179.9-155.700110.8K926 E927 R932K926-E930 WeakPolarHBondContact CD-OE2 3.32Å; K926-E930 WeakPolarHBondContact CE-OE2 3.36Å; K926-E930 IonicContact NZ-OE1 3.5Å; K926-E930 IonicContact NZ-OE2 3.34Å; K926-E930 PolarHBondContact NZ-OE2 3.26Å; E927-E930 PolarHBondContact O-N 3.09Å; E930-R932 PolarHBondContact O-N 2.95Å
931L65.7Low69.7Low24 Ų24105.4 Ų105.413%0.12651%0.513CS..THydrogen-bonded Turntrans-84.360.9179-70.6164.5000111.4A923 K926 M936 R937 L940 L942A923-L931 HydrophobicContact CB-CD1 3.95Å; A923-L931 WeakPolarHBondContact O-CD1 3.34Å; K926-L931 HydrophobicContact CB-CD1 4.37Å; L931-M936 HydrophobicContact CD2-CB 4.47Å; L931-R937 VanDerWaalsContact O-CZ 3.23Å; L931-R937 PolarHBondContact O-NE 3.04Å; L931-R937 PolarHBondContact O-NH2 3.11Å; L931-L940 HydrophobicContact CD2-CD1 3.72Å; L931-L942 HydrophobicContact CD1-CD1 3.95Å
932R67.2Low69.5Low155 Ų155104 Ų10459%0.58550%0.497SS*.THydrogen-bonded Turntrans-97-23.9177.5-157.9173.8-176.1-173.20.8114.3E930 P934 D947E930-R932 PolarHBondContact O-N 2.95Å; R932-P934 WeakPolarHBondContact O-CD 3.45Å; R932-D947 IonicContact CZ-OD1 2.83Å; R932-D947 IonicContact NE-OD1 2.77Å; R932-D947 IonicContact NH2-OD1 3.75Å; R932-D947 PolarHBondContact NH2-OD1 3.01Å
933D72.9Confident69.5Low77 Ų77105.9 Ų105.941%0.41251%0.507SS..  trans-66122177174.816.8000112R935 M936 R937D933-R935 PolarHBondContact O-N 3.04Å; D933-R935 WeakPolarHBondContact OD1-CB 3.39Å; D933-R935 PolarHBondContact OD1-N 2.9Å; D933-R935 WeakPolarHBondContact OD2-CB 3.21Å; D933-M936 HydrophobicContact CB-CB 4.17Å; D933-M936 HydrophobicContact CB-CG 4.07Å; D933-M936 PolarHBondContact O-N 3.29Å; D933-M936 WeakPolarHBondContact OD2-CG 3.26Å; D933-M936 PolarHBondContact OD2-N 3.01Å; D933-R937 PolarHBondContact O-N 3.23Å; D933-R937 VanDerWaalsContact O-N 3.1Å
934P77.4Confident69.3Low68 Ų68111.5 Ų111.544%0.44253%0.532SS..Hα-helixtrans-57.1-30.4173.4-24.935.2000114.2R932 R938R932-P934 WeakPolarHBondContact O-CD 3.45Å; P934-R938 WeakPolarHBondContact O-CB 3.13Å; P934-R938 PolarHBondContact O-N 3.29Å
935R74.4Confident69.1Low183 Ų183107.4 Ų107.469%0.69151%0.513SS*.Hα-helixtrans-69.7-46.6178-174.8-175.7-65.2-167.6-0.1111.1D933 R937 R938 I939D933-R935 PolarHBondContact O-N 3.04Å; D933-R935 WeakPolarHBondContact OD1-CB 3.39Å; D933-R935 PolarHBondContact OD1-N 2.9Å; D933-R935 WeakPolarHBondContact OD2-CB 3.21Å; R935-R937 VanDerWaalsContact C-N 3.33Å; R935-R937 PolarHBondContact O-N 2.98Å; R935-R938 PolarHBondContact O-N 3.41Å; R935-I939 HydrophobicContact CG-CD1 4.07Å; R935-I939 WeakPolarHBondContact O-CG1 3.32Å; R935-I939 PolarHBondContact O-N 3.3Å
936M77.2Confident69.2Low89 Ų89105 Ų10544%0.43851%0.513SS..Hα-helixtrans-58.5-44173.3-69.9-61.4-74.900111.9L931 D933 R938 I939 L940L931-M936 HydrophobicContact CD2-CB 4.47Å; D933-M936 HydrophobicContact CB-CB 4.17Å; D933-M936 HydrophobicContact CB-CG 4.07Å; D933-M936 PolarHBondContact O-N 3.29Å; D933-M936 WeakPolarHBondContact OD2-CG 3.26Å; D933-M936 PolarHBondContact OD2-N 3.01Å; M936-R938 VanDerWaalsContact C-N 3.33Å; M936-R938 PolarHBondContact O-N 3.27Å; M936-I939 PolarHBondContact O-N 3.49Å; M936-L940 HydrophobicContact CE-CD1 4.43Å; M936-L940 WeakPolarHBondContact O-CB 3.33Å; M936-L940 WeakPolarHBondContact O-CD1 3.22Å; M936-L940 VanDerWaalsContact O-CG 3.28Å; M936-L940 WeakPolarHBondContact O-CG 3.35Å; M936-L940 PolarHBondContact O-N 3.16Å
937R77.4Confident68.6Low16 Ų16105.3 Ų105.36%0.0652%0.52CS..Hα-helixtrans-60.2-41.6175-70.1178.9-178.4175.5-8.3112.6L931 D933 R935 L940 G941 L942 T945L931-R937 VanDerWaalsContact O-CZ 3.23Å; L931-R937 PolarHBondContact O-NE 3.04Å; L931-R937 PolarHBondContact O-NH2 3.11Å; D933-R937 PolarHBondContact O-N 3.23Å; D933-R937 VanDerWaalsContact O-N 3.1Å; R935-R937 VanDerWaalsContact C-N 3.33Å; R935-R937 PolarHBondContact O-N 2.98Å; R937-L940 CarbonylContact O-C 3.1Å; R937-L940 PolarHBondContact O-N 3.28Å; R937-G941 PolarHBondContact O-N 2.97Å; R937-L942 HydrophobicContact CB-CB 4.13Å; R937-L942 HydrophobicContact CG-CB 4.18Å; R937-L942 PolarHBondContact O-N 3.19Å; R937-T945 VanDerWaalsContact NH1-N 3.15Å; R937-T945 PolarHBondContact NH1-OG1 2.79Å; R937-T945 PolarHBondContact NH2-OG1 3.37Å
938R79.1Confident68Low179 Ų179104.9 Ų104.968%0.67552%0.522SS*.Hα-helixtrans-66.5-37.3178.4-167.3171.2-60.6153.47.5113.2P934 R935 M936 E944P934-R938 WeakPolarHBondContact O-CB 3.13Å; P934-R938 PolarHBondContact O-N 3.29Å; R935-R938 PolarHBondContact O-N 3.41Å; M936-R938 VanDerWaalsContact C-N 3.33Å; M936-R938 PolarHBondContact O-N 3.27Å; R938-E944 IonicContact NH2-OE1 3.97Å; R938-E944 PolarHBondContact NH2-OE1 2.79Å; R938-E944 VanDerWaalsContact NH2-OE1 3.08Å
939I77.4Confident67.2Low124 Ų124103.8 Ų103.864%0.63653%0.53SS*.Hα-helixtrans-68.8-37.8174.3-67.5165.8000110.9R935 M936R935-I939 HydrophobicContact CG-CD1 4.07Å; R935-I939 WeakPolarHBondContact O-CG1 3.32Å; R935-I939 PolarHBondContact O-N 3.3Å; M936-I939 PolarHBondContact O-N 3.49Å
940L73.4Confident66.3Low22 Ų2296.2 Ų96.212%0.11552%0.52CS..Hα-helixtrans-88.8-5-176.8-64.4166000114.2I919 R920 A923 L931 M936 R937 L942I919-L940 HydrophobicContact CG2-CD2 3.73Å; R920-L940 WeakPolarHBondContact CG-O 3.18Å; A923-L940 HydrophobicContact CB-CD1 3.88Å; A923-L940 HydrophobicContact CB-CD2 4.3Å; A923-L940 HydrophobicContact CB-CG 4.47Å; L931-L940 HydrophobicContact CD2-CD1 3.72Å; M936-L940 HydrophobicContact CE-CD1 4.43Å; M936-L940 WeakPolarHBondContact O-CB 3.33Å; M936-L940 WeakPolarHBondContact O-CD1 3.22Å; M936-L940 VanDerWaalsContact O-CG 3.28Å; M936-L940 WeakPolarHBondContact O-CG 3.35Å; M936-L940 PolarHBondContact O-N 3.16Å; R937-L940 CarbonylContact O-C 3.1Å; R937-L940 PolarHBondContact O-N 3.28Å; L940-L942 HydrophobicContact CB-CD1 4.21Å; L940-L942 HydrophobicContact CB-CG 4.16Å
941G73Confident65.5Low68 Ų6895.6 Ų95.670%0.70153%0.528SS*.THydrogen-bonded Turntrans72.522.5-178.700000114.8R937R937-G941 PolarHBondContact O-N 2.97Å
942L71.2Confident64.2Low32 Ų32102.9 Ų102.917%0.16857%0.566CS.*PPolyproline II helixtrans-87.8145.1-178.8-64.7174.1000111.8A923 L924 L931 R937 L940A923-L942 HydrophobicContact CB-CD1 4.21Å; L924-L942 HydrophobicContact CD2-CD2 3.89Å; L924-L942 HydrophobicContact CG-CD2 3.92Å; L931-L942 HydrophobicContact CD1-CD1 3.95Å; R937-L942 HydrophobicContact CB-CB 4.13Å; R937-L942 HydrophobicContact CG-CB 4.18Å; R937-L942 PolarHBondContact O-N 3.19Å; L940-L942 HydrophobicContact CB-CD1 4.21Å; L940-L942 HydrophobicContact CB-CG 4.16Å
943P72.7Confident62.8Low108 Ų10899.2 Ų99.270%0.70158%0.577SS**PPolyproline II helixtrans-68145.6179.827.9-34.8000112.9T945P943-T945 PolarHBondContact O-N 2.95Å
944E63.6Low61.3Low128 Ų128101.6 Ų101.660%0.59860%0.599SS**PPolyproline II helixtrans-74.5123.1176.1-68.4179.7164.800110.7R938R938-E944 IonicContact NH2-OE1 3.97Å; R938-E944 PolarHBondContact NH2-OE1 2.79Å; R938-E944 VanDerWaalsContact NH2-OE1 3.08Å
945T63Low60Low45 Ų45105.1 Ų105.128%0.27662%0.619SS.*PPolyproline II helixtrans-83.9129.717564.20000110.7Q928 R937 P943 D947Q928-T945 HydrophobicContact CG-CG2 4.34Å; R937-T945 VanDerWaalsContact NH1-N 3.15Å; R937-T945 PolarHBondContact NH1-OG1 2.79Å; R937-T945 PolarHBondContact NH2-OG1 3.37Å; P943-T945 PolarHBondContact O-N 2.95Å; T945-D947 PolarHBondContact O-N 2.71Å
946P65.7Low58.2Low125 Ų125101.8 Ų101.881%0.81262%0.621SS**PPolyproline II helixtrans-69.8125.9174.728.5-33.7000111
947D49.1Very low56.4Low117 Ų117104.5 Ų104.563%0.62664%0.636SS**PPolyproline II helixtrans-70129.3173.9-81-67.2000111.2R932 T945R932-D947 IonicContact CZ-OD1 2.83Å; R932-D947 IonicContact NE-OD1 2.77Å; R932-D947 IonicContact NH2-OD1 3.75Å; R932-D947 PolarHBondContact NH2-OD1 3.01Å; T945-D947 PolarHBondContact O-N 2.71Å
948N46.2Very low54.6Low150 Ų150112.2 Ų112.280%0.80268%0.675SS**  trans-132.9106.5176.4-1809.2000110.3
949S42.2Very low52.5Low121 Ų121107 Ų10785%0.84668%0.677SS**  trans-132.450.6-177.752.80000113
950G43.4Very low50.8Low59 Ų59107.2 Ų107.261%0.60869%0.686SS**  trans-93.7134.1165.300000112.4
951P43.1Very low49.1Very low117 Ų117110.9 Ų110.976%0.7671%0.714SS**  trans-87.5133.2-168.332-35.1000116
952L38.5Very low47.5Very low177 Ų177112.1 Ų112.193%0.92771%0.711SS**  trans57.6103146.6-56174.7000119.1
953G38.4Very low45.9Very low79 Ų79119.4 Ų119.481%0.81474%0.742SS**  trans-160.2111.2164.700000113.4
954S40.8Very low44.1Very low126 Ų126119.4 Ų119.488%0.88175%0.745SS**  trans-83.5124.6-171.4-51.90000114.8
955V49.4Very low42.7Very low143 Ų143119.4 Ų119.487%0.86775%0.753SS**  trans-157.9140.1140.4-101.10000110.2
956P37Very low41.5Very low112 Ų112123.5 Ų123.573%0.72777%0.773SS**  trans-110.4-176.1179.742-35.4000113.9
957I39.9Very low39.9Very low146 Ų146123.6 Ų123.675%0.74977%0.767SS**  trans93.9132.7158.2-65.1165.6000118
958M39.3Very low39.4Very low179 Ų179125 Ų12588%0.88277%0.773SS**  trans74.2114.2164.6-78.1155.3135.900120.7
959G36.1Very low38.8Very low70 Ų70122 Ų12272%0.72277%0.769SS**  trans-96.8-134.6147.300000109.6
960P41.7Very low38.3Very low128 Ų128127.9 Ų127.983%0.83177%0.772SS**  cis-135.2159.2-14.741-25.7000114.8
961S37.5Very low37.8Very low99 Ų99130.6 Ų130.669%0.69278%0.78SS**  trans-178.7117.9158.3550000109.6
962S37.7Very low37.3Very low93 Ų93128.7 Ų128.765%0.6578%0.775SS**  97.6160.379.3-64.20000112.2
963F37.8Very low37.3Very low186 Ų186126.5 Ų126.582%0.81677%0.769SS**  trans69.399.5-174.8-32.7-62.5000111.6
964S36.5Very low37.1Very low108 Ų108128.7 Ų128.776%0.75577%0.766SS**  cis58.295.539.3-43.20000110.4
965V34Very low36.8Very low128 Ų128130.7 Ų130.778%0.77677%0.766SS**  102.4160.977.6152.10000109.1
966D36.3Very low36.3Very low131 Ų131128.1 Ų128.170%0.70176%0.759SS**  trans80.294.5176.8-61.7-39.8000119.6
967N33.8Very low36.2Very low127 Ų127128.3 Ų128.368%0.67976%0.763SS**  89139.4110.9-74.2-37.2000123.5
968I38.4Very low36.2Very low147 Ų147126.9 Ų126.975%0.75476%0.764SS**  trans5687.9143.3-58.7163.3000114.8
969A32.6Very low36.1Very low85 Ų85125.9 Ų125.970%0.70276%0.762SS**  76.2143.172.400000115.3
970R31.9Very low36.2Very low246 Ų246129.7 Ų129.793%0.92877%0.765SS**  trans72144.3-173.7-58.8172.4176.8153.8-1.1113
971C34.2Very low36.1Very low115 Ų115130.8 Ų130.878%0.77776%0.759SS**  cis-143.5134.82.7-112.30000108.1
972A32.4Very low36.1Very low77 Ų77132 Ų13264%0.63676%0.763SS**  90.6159.882.300000114.6
973T37Very low36.2Very low131 Ų131131.6 Ų131.680%0.80477%0.765SS**  trans64.6131.5179.758.90000116.6
974T34.8Very low36.2Very low125 Ų125128.6 Ų128.677%0.76776%0.761SS**  cis109.7103.914.860.50000114.6
975I34.2Very low36.3Very low168 Ų168133.3 Ų133.386%0.86276%0.762SS**  trans-147.9122160.1-50.8178.8000105
976A39.5Very low36.4Very low89 Ų89132.9 Ų132.974%0.73676%0.756SS**  cis103.1131.824.700000113.4
977S35.3Very low36.7Very low116 Ų116130.6 Ų130.681%0.81175%0.75SS**  trans-67.7149.6169.7-58.20000110.5
978P39.4Very low37.1Very low116 Ų116131.1 Ų131.175%0.75376%0.758SS**  trans-83.8124.9173.132.6-30.4000110.8
979D37.4Very low37.2Very low158 Ų158130.1 Ų130.185%0.84576%0.761SS**  trans-153.8131.4147.7-102-42.2000112.3
980L39Very low37.5Very low150 Ų150131.3 Ų131.379%0.78577%0.765SS**  trans42.5152.6158.1-112.166.2000125.7
981E38.3Very low37.8Very low151 Ų151124.5 Ų124.571%0.70676%0.755SS**  trans74.293.1153.1-61.5-85.47700120.6
982T37Very low38.2Very low126 Ų126124.7 Ų124.777%0.77375%0.754SS**  trans54.4135.1138.569.50000120.4
983A39.7Very low38.9Very low84 Ų84126.6 Ų126.669%0.69476%0.76SS**  cis-164138.841.900000115.1
984V38.8Very low39.4Very low122 Ų122125.7 Ų125.774%0.73976%0.756SS**  73.5117.6126.5171.70000120.4
985R39.3Very low39.8Very low207 Ų207124.8 Ų124.878%0.78176%0.755SS**  trans90.7112.1165.7-60.5-55.6155.5168.8-4.6117.7
986D35.5Very low40.2Very low119 Ų119123.1 Ų123.164%0.63675%0.753SS**  89.5130.171.8-101.7-40.1000111.5
987S42.8Very low40.4Very low84 Ų84124.3 Ų124.359%0.58775%0.75SS**  cis-153.61343.7-53.20000114.1
988T41.3Very low40.6Very low137 Ų137125.4 Ų125.484%0.8475%0.747SS**  trans59.4152.513858.40000124.3
989P41.3Very low40.6Very low127 Ų127127.4 Ų127.483%0.82575%0.751SS**  trans-120.1173.7-17043.8-32.9000117.1
990S39.4Very low40.9Very low110 Ų110125.4 Ų125.477%0.76975%0.747SS**  trans-161.4131.9153.6-177.60000116.5
991S37.1Very low40.8Very low103 Ų103122.5 Ų122.572%0.7274%0.739SS**  trans-18.4175138.9-38.30000119.7
992P42.4Very low40.9Very low119 Ų119122.7 Ų122.777%0.77374%0.742SS**  -138.4-158.4-50.945.2-25.9000111.2
993P48.5Very low41Very low116 Ų116120.9 Ų120.975%0.75373%0.734SS**  trans-92176.4-17339.8-36.1000114.7
994P47.5Very low40.9Very low112 Ų112123.2 Ų123.273%0.72774%0.739SS**  -161.7174.5112.940.7-21.3000119.6
995S41.8Very low41.2Very low107 Ų107123 Ų12375%0.74874%0.741SS**  trans78.3156.7158.3-300000117.3
996V43.5Very low41.7Very low133 Ų133118.6 Ų118.681%0.80674%0.738SS**  cis-153.2172.618.5-81.70000109.5
997V43.3Very low42.2Very low113 Ų113118.5 Ų118.569%0.68575%0.745SS**  cis-168.4151.5-19141.50000109.3
998N40.3Very low41.8Very low140 Ų140119.2 Ų119.275%0.74975%0.75SS**  trans65.4138.6167.5-74.2-7.4000119.7
999L38.1Very low41.7Very low158 Ų158119.5 Ų119.583%0.82774%0.743SS**  cis75.4154.321.3-63.1164.5000116.2
1000P44.2Very low41.4Very low116 Ų116123.3 Ų123.375%0.75374%0.741SS**  cis-124.4-154.81.445.5-29000111.4
1001S37.2Very low41.4Very low88 Ų88124 Ų12462%0.61574%0.74SS**  cis-168.6159.3-4.5-137.30000112.5
1002M39.5Very low41.4Very low156 Ų156124.3 Ų124.377%0.76874%0.74SS**  trans64.4158.8151.4-62-54.592.600120
1003S39.4Very low41.5Very low88 Ų88124 Ų12462%0.61574%0.738SS**  cis-161.9135.9-16.6-113.40000109.8
1004V38.9Very low41.1Very low132 Ų132124.2 Ų124.280%0.874%0.739SS**  7814092173.10000114.9
1005P43.6Very low40.4Very low119 Ų119125.9 Ų125.977%0.77374%0.742SS**  trans-121-129.7-142.740.6-21000116.7
1006P51.2Low40.1Very low113 Ų113127.2 Ų127.273%0.73474%0.739SS**  trans-115.1166.9-133.842.6-27.5000117.4
1007P46.1Very low39.6Very low118 Ų118129.5 Ų129.577%0.76674%0.741SS**  trans-127141.1143.228.7-12.7000111.7
1008S33.3Very low39.3Very low99 Ų99130.9 Ų130.969%0.69275%0.749SS**  cis90.514746.2-166.90000113.7
1009M39.1Very low38.8Very low142 Ų142132.8 Ų132.870%0.775%0.754SS**  trans73.4153.7176.1-57.7-70.393.500118
1010R34.8Very low39Very low208 Ų208134.4 Ų134.479%0.78575%0.754SS**  cis-171.5159.7-38.3-140.9-172.4-164.7174.12110.2
1011V39.7Very low38.7Very low123 Ų123134.6 Ų134.675%0.74576%0.756SS**  trans76134.2158.5-179.10000119.1
1012P38.1Very low39Very low111 Ų111136.9 Ų136.972%0.72177%0.766SS**  trans-114.3-158.2168.743.6-33000111.8
1013P42.9Very low39.1Very low113 Ų113136 Ų13673%0.73477%0.769SS**  -106.9-173.1-53.339.1-25.2000110.9
1014P39.6Very low39.1Very low119 Ų119143.3 Ų143.377%0.77378%0.783SS**  -153.7148.897.338.4-20.1000117.9
1015N34Very low39.1Very low148 Ų148143.6 Ų143.679%0.79179%0.785SS**  trans36.2147.2135.3-148.212.7000124.3
1016I36.1Very low38.7Very low134 Ų134143.1 Ų143.169%0.68778%0.776SS**  trans78.797.6162.4-42.3-172.7000119.6
1017Q31.4Very low38.4Very low181 Ų181144 Ų14485%0.84678%0.782SS**  37162128.9-53.7-173.89.100124.2
1018V38.6Very low38.4Very low142 Ų142149 Ų14986%0.86179%0.785SS**  trans101.4151.6169.2-172.60000115.8
1019E30.1Very low39Very low180 Ų180155.5 Ų155.584%0.84180%0.795SS**  trans-96.1-170.1-157-43.9176.8119.300116.1
1020K40.5Very low39.2Very low193 Ų193153.9 Ų153.984%0.83979%0.789SS**  trans87.8157.4153.7-156.5162.5178.1176.70115.7
1021P39.6Very low40Very low120 Ų120149.4 Ų149.478%0.77979%0.787SS**  cis-124.7-173-10.918.67.4000116.3
1022T42.4Very low40.3Very low135 Ų135154.5 Ų154.583%0.82879%0.793SS**  trans-93.8163.3-176.754.70000117
1023V41.4Very low40.7Very low139 Ų139160.7 Ų160.784%0.84280%0.802SS**  trans-137.5114.5156.8-179.50000113.4
1024R39.4Very low40.6Very low240 Ų240160.1 Ų160.191%0.90681%0.807SS**  trans46.7162.2157.3-77-177.6160.3122.4-2.5121.9
1025T39Very low40.9Very low138 Ų138160 Ų16085%0.84780%0.803SS**  trans-138.6146.9-15549.80000115.1
1026D36Very low41.2Very low110 Ų110160.6 Ų160.659%0.58881%0.805SS**  trans-108.8128.5159.1-175.1-45.3000109.8R1028D1026-R1028 VanDerWaalsContact C-N 3.27Å; D1026-R1028 PolarHBondContact O-N 3.32Å; D1026-R1028 PolarHBondContact OD1-N 3.08Å
1027P44.4Very low41.5Very low130 Ų130163.3 Ų163.384%0.84482%0.815SS**THydrogen-bonded Turntrans-70.810.2-173-2134.5000118.6
1028R45.9Very low41.9Very low224 Ų224159.4 Ų159.485%0.84581%0.814SS**THydrogen-bonded Turntrans-102.513.9-171.3-67.1-166.4175.798.3-2.2117.4D1026D1026-R1028 VanDerWaalsContact C-N 3.27Å; D1026-R1028 PolarHBondContact O-N 3.32Å; D1026-R1028 PolarHBondContact OD1-N 3.08Å
1029R45.9Very low41.9Very low235 Ų235157.8 Ų157.889%0.88781%0.806SS**  trans-89132.1-175-130.4173.2-173.5-1393.1113.2P1031R1029-P1031 WeakPolarHBondContact O-CD 3.19Å
1030D42.6Very low42.1Very low108 Ų108155 Ų15558%0.57880%0.802SS**  trans-66.5120.1-176.7-165.8-33000111.7R1032D1030-R1032 PolarHBondContact O-N 3.1Å; D1030-R1032 VanDerWaalsContact O-N 3.1Å
1031P53.3Low42Very low114 Ų114155.8 Ų155.874%0.7481%0.805SS**G310 helixtrans-67.9-10.4-168.6-24.435.1000116.8R1029 R1033R1029-P1031 WeakPolarHBondContact O-CD 3.19Å; P1031-R1033 PolarHBondContact O-N 3.3Å
1032R44.3Very low41.7Very low231 Ų231153.7 Ų153.787%0.87281%0.806SS**G310 helixtrans-91.58.4-163-68.4-175.2172.6-167.8-4.2116.7D1030D1030-R1032 PolarHBondContact O-N 3.1Å; D1030-R1032 VanDerWaalsContact O-N 3.1Å
1033R48.4Very low41.4Very low241 Ų241151.7 Ų151.791%0.90980%0.802SS**G310 helixtrans-102.95.3179.6-142.4176.1-168.5-114.86.8115.1P1031 V1035P1031-R1033 PolarHBondContact O-N 3.3Å; R1033-V1035 VanDerWaalsContact C-N 3.31Å; R1033-V1035 PolarHBondContact O-N 3.27Å; R1033-V1035 VanDerWaalsContact O-N 3.12Å
1034A39.5Very low41.1Very low101 Ų101150.3 Ų150.384%0.83580%0.799SS**  trans-8275.3169.400000110.2
1035V45.8Very low41Very low116 Ų116145.4 Ų145.470%0.70380%0.796SS**  trans-95.9130.3-177.1118.60000111.1R1033R1033-V1035 VanDerWaalsContact C-N 3.31Å; R1033-V1035 PolarHBondContact O-N 3.27Å; R1033-V1035 VanDerWaalsContact O-N 3.12Å
1036L40.5Very low40.8Very low160 Ų160142.7 Ų142.784%0.83879%0.787SS**  trans46.782.8156.1-58.6169.7000117.9
1037Q42.1Very low40.6Very low192 Ų192144.6 Ų144.690%0.89780%0.798SS**  trans-140.1138.7148.7-69.2-165.80.500111.3
1038A40Very low40Very low99 Ų99145 Ų14582%0.81880%0.798SS**SBendtrans70.1152170.500000117.9
1039P38.7Very low39.7Very low107 Ų107141.5 Ų141.570%0.69580%0.802SS**  trans-138.8169.9-132.841.7-23.5000118.9
1040T35.4Very low39.3Very low122 Ų122134.5 Ų134.575%0.74879%0.794SS**  trans56.5107.4152.252.30000120.7
1041K37.4Very low39.2Very low210 Ų210134.6 Ų134.691%0.91380%0.8SS**  164146113.8-89.9168.8-177.7178.70111.9
1042G33.4Very low38.5Very low76 Ų76134.8 Ų134.878%0.78480%0.795SS**  trans10793.5151.400000119.2
1043A35.8Very low38.7Very low92 Ų92128.5 Ų128.576%0.7679%0.792SS**  trans46.9108.9136.200000122.6
1044S35.3Very low39Very low110 Ų110120.4 Ų120.477%0.76977%0.773SS**  77.5120.4114.8-52.40000123.2
1045T36.8Very low40Very low137 Ų137116 Ų11684%0.8474%0.737SS**  trans107.2124.9135.1-56.30000120.3
1046A35.2Very low41.3Very low81 Ų81110.7 Ų110.767%0.66971%0.706SS**  trans74.799.7156.300000122.3
1047N32.3Very low43.1Very low151 Ų151106 Ų10681%0.80769%0.687SS**  48.2110.7128.7-59.2-0.4000121.7
1048T31.2Very low45.2Very low139 Ų139103.4 Ų103.485%0.85367%0.672SS**  176.2120.3105.327.90000112.4
1049T39.7Very low47.3Very low150 Ų15099.2 Ų99.292%0.9264%0.636SS**  trans-152.6150.8168.4-9.50000115
1050A37.4Very low49.6Very low87 Ų8794.5 Ų94.572%0.71961%0.605SS**  trans-64.9163.8-172.100000116.5
1051P40.1Very low52.1Low110 Ų11092 Ų9271%0.71459%0.592SS**  trans-72.7155-165.527.4-36.8000117.1A1053P1051-A1053 PolarHBondContact O-N 2.96Å
1052N38.7Very low54.6Low119 Ų11986.5 Ų86.564%0.63657%0.57SS**  trans-74.899.7-178.3-82.2-35.5000114
1053A48.2Very low57.1Low98 Ų9882.9 Ų82.981%0.8153%0.532SS*.SBendtrans-94.5-9.2157.400000113.1P1051P1051-A1053 PolarHBondContact O-N 2.96Å
1054S55.8Low59.7Low72 Ų7284.4 Ų84.450%0.50352%0.519SS..SBendtrans-100.917.3-174.5-162.20000113.9S1057S1054-S1057 PolarHBondContact O-OG 2.76Å
1055G60.5Low62.2Low8 Ų882.1 Ų82.18%0.08250%0.502CS..SBendtrans-62-86.5179.200000110.9S1057 K1058 Q1059G1055-S1057 PolarHBondContact O-N 2.91Å; G1055-K1058 VanDerWaalsContact O-CB 3.31Å; G1055-K1058 WeakPolarHBondContact O-CB 3.41Å; G1055-K1058 PolarHBondContact O-N 3.12Å; G1055-Q1059 PolarHBondContact O-OE1 3.06Å
1056G71.9Confident64.6Low4 Ų476.8 Ų76.84%0.04147%0.469CS..Hα-helixtrans-48.5-24.4-171.400000117.3K1058 I1060 H1099G1056-K1058 VanDerWaalsContact C-N 3.25Å; G1056-K1058 PolarHBondContact O-N 3.27Å; G1056-I1060 VanDerWaalsContact O-CB 3.28Å; G1056-I1060 WeakPolarHBondContact O-CB 3.4Å; G1056-I1060 WeakPolarHBondContact O-CD1 3.29Å; G1056-I1060 WeakPolarHBondContact O-CG1 3.33Å; G1056-I1060 PolarHBondContact O-N 3.26Å; G1056-I1060 VanDerWaalsContact O-N 3.07Å; G1056-H1099 VanDerWaalsContact CA-ND1 3.31Å; G1056-H1099 WeakPolarHBondContact CA-ND1 3.19Å; G1056-H1099 PolarHBondContact N-CD2 3.35Å; G1056-H1099 VanDerWaalsContact N-CD2 3.33Å; G1056-H1099 PolarHBondContact N-ND1 2.83Å
1057S78.9Confident67.1Low63 Ų6373.2 Ų73.244%0.44144%0.438SS..Hα-helixtrans-61.2-30.4169.649.20000114S1054 G1055 S1061S1054-S1057 PolarHBondContact O-OG 2.76Å; G1055-S1057 PolarHBondContact O-N 2.91Å; S1057-S1061 WeakPolarHBondContact O-CB 3.45Å; S1057-S1061 PolarHBondContact O-N 3.3Å; S1057-S1061 PolarHBondContact O-OG 2.83Å
1058K85.5Confident69.6Low136 Ų13672.7 Ų72.759%0.59143%0.431SS*.Hα-helixtrans-72.6-60.1175.9-66.9178.6177.1-177.90110.5G1055 G1056 I1060 S1061 E1062G1055-K1058 VanDerWaalsContact O-CB 3.31Å; G1055-K1058 WeakPolarHBondContact O-CB 3.41Å; G1055-K1058 PolarHBondContact O-N 3.12Å; G1056-K1058 VanDerWaalsContact C-N 3.25Å; G1056-K1058 PolarHBondContact O-N 3.27Å; K1058-I1060 VanDerWaalsContact C-N 3.26Å; K1058-I1060 PolarHBondContact O-N 2.82Å; K1058-S1061 CarbonylContact O-C 3.12Å; K1058-S1061 WeakPolarHBondContact O-CA 3.2Å; K1058-S1061 WeakPolarHBondContact O-CB 3.32Å; K1058-S1061 PolarHBondContact O-N 2.91Å; K1058-E1062 WeakPolarHBondContact O-CB 3.35Å; K1058-E1062 PolarHBondContact O-N 2.92Å
1059Q84.5Confident72.2Confident12 Ų1271 Ų716%0.05642%0.42CS..Hα-helixtrans-58.3-37.6-178.4-6595-2300112.2G1055 S1061 E1062 I1063 H1099 G1135 V1137G1055-Q1059 PolarHBondContact O-OE1 3.06Å; Q1059-S1061 VanDerWaalsContact C-N 3.34Å; Q1059-S1061 PolarHBondContact O-N 2.96Å; Q1059-E1062 PolarHBondContact O-N 2.83Å; Q1059-I1063 VanDerWaalsContact O-CG1 3.32Å; Q1059-I1063 WeakPolarHBondContact O-CG1 3.38Å; Q1059-I1063 PolarHBondContact O-N 3.25Å; Q1059-H1099 PolarHBondContact NE2-CE1 3.04Å; Q1059-H1099 VanDerWaalsContact NE2-CE1 3.27Å; Q1059-H1099 PolarHBondContact NE2-NE2 2.8Å; Q1059-H1099 VanDerWaalsContact NE2-NE2 3.12Å; Q1059-G1135 WeakPolarHBondContact CG-O 3.48Å; Q1059-G1135 PolarHBondContact NE2-O 3.4Å; Q1059-V1137 HydrophobicContact CB-CG2 3.75Å; Q1059-V1137 HydrophobicContact CG-CG2 4.06Å
1060I87.8Confident74.3Confident8 Ų864.9 Ų64.94%0.04138%0.383CS..Hα-helixtrans-68.1-32.9174.9-66.9170.4000111.9G1056 K1058 R1064 F1092 L1095 K1096G1056-I1060 VanDerWaalsContact O-CB 3.28Å; G1056-I1060 WeakPolarHBondContact O-CB 3.4Å; G1056-I1060 WeakPolarHBondContact O-CD1 3.29Å; G1056-I1060 WeakPolarHBondContact O-CG1 3.33Å; G1056-I1060 PolarHBondContact O-N 3.26Å; G1056-I1060 VanDerWaalsContact O-N 3.07Å; K1058-I1060 VanDerWaalsContact C-N 3.26Å; K1058-I1060 PolarHBondContact O-N 2.82Å; I1060-R1064 WeakPolarHBondContact O-CB 3.47Å; I1060-R1064 VanDerWaalsContact O-CD 3.25Å; I1060-R1064 WeakPolarHBondContact O-CD 3.45Å; I1060-R1064 WeakPolarHBondContact O-CG 3.47Å; I1060-R1064 PolarHBondContact O-N 2.79Å; I1060-F1092 HydrophobicContact CB-CD1 4.22Å; I1060-F1092 HydrophobicContact CD1-CB 4.12Å; I1060-F1092 WeakPolarHBondContact CD1-O 3.38Å; I1060-F1092 HydrophobicContact CG1-CB 4.33Å; I1060-F1092 HydrophobicContact CG1-CD1 3.81Å; I1060-F1092 HydrophobicContact CG1-CG 4.31Å; I1060-F1092 HydrophobicContact CG2-CB 4.41Å; I1060-F1092 HydrophobicContact CG2-CD1 3.81Å; I1060-F1092 HydrophobicContact CG2-CD2 4.35Å; I1060-F1092 HydrophobicContact CG2-CE1 4.11Å; I1060-F1092 HydrophobicContact CG2-CG 3.94Å; I1060-L1095 HydrophobicContact CD1-CB 4.17Å; I1060-L1095 HydrophobicContact CG1-CB 4.18Å; I1060-L1095 HydrophobicContact CG1-CD1 4.21Å; I1060-K1096 HydrophobicContact CD1-CD 4.46Å; I1060-K1096 HydrophobicContact CD1-CG 3.7Å
1061S87.6Confident76.6Confident70 Ų7066.9 Ų66.949%0.4938%0.382SS..Hα-helixtrans-73.8-34.2173.4-59.30000112S1057 K1058 Q1059 R1064 S1065S1057-S1061 WeakPolarHBondContact O-CB 3.45Å; S1057-S1061 PolarHBondContact O-N 3.3Å; S1057-S1061 PolarHBondContact O-OG 2.83Å; K1058-S1061 CarbonylContact O-C 3.12Å; K1058-S1061 WeakPolarHBondContact O-CA 3.2Å; K1058-S1061 WeakPolarHBondContact O-CB 3.32Å; K1058-S1061 PolarHBondContact O-N 2.91Å; Q1059-S1061 VanDerWaalsContact C-N 3.34Å; Q1059-S1061 PolarHBondContact O-N 2.96Å; S1061-R1064 PolarHBondContact O-N 3.45Å; S1061-S1065 WeakPolarHBondContact O-CB 3.48Å; S1061-S1065 PolarHBondContact O-N 3.05Å
1062E88.9Confident78.9Confident93 Ų9364.1 Ų64.144%0.43536%0.357SS..Hα-helixtrans-67.3-51.4177.2-174.7156.6-137.600111.5K1058 Q1059 R1064 S1065 L1066K1058-E1062 WeakPolarHBondContact O-CB 3.35Å; K1058-E1062 PolarHBondContact O-N 2.92Å; Q1059-E1062 PolarHBondContact O-N 2.83Å; E1062-R1064 PolarHBondContact O-N 3.2Å; E1062-S1065 WeakPolarHBondContact O-CA 3.04Å; E1062-S1065 WeakPolarHBondContact O-CB 3.3Å; E1062-S1065 PolarHBondContact O-N 3.37Å; E1062-L1066 HydrophobicContact CG-CD1 4.43Å; E1062-L1066 WeakPolarHBondContact O-CG 3.46Å; E1062-L1066 PolarHBondContact O-N 3.31Å
1063I87.2Confident81.4Confident0 Ų059.9 Ų59.90%033%0.333CS..Hα-helixtrans-55.7-40.8172.8-63.9163.2000110.8Q1059 L1066 L1067 L1088 F1092 L1095 I1129 V1137Q1059-I1063 VanDerWaalsContact O-CG1 3.32Å; Q1059-I1063 WeakPolarHBondContact O-CG1 3.38Å; Q1059-I1063 PolarHBondContact O-N 3.25Å; I1063-L1066 PolarHBondContact O-N 3.14Å; I1063-L1067 WeakPolarHBondContact O-CB 3.36Å; I1063-L1067 PolarHBondContact O-N 3.15Å; I1063-L1088 HydrophobicContact CG2-CD1 4.43Å; I1063-L1088 HydrophobicContact CG2-CD2 4.22Å; I1063-F1092 HydrophobicContact CB-CE1 3.93Å; I1063-F1092 HydrophobicContact CB-CZ 4.47Å; I1063-F1092 HydrophobicContact CD1-CE1 4.06Å; I1063-F1092 HydrophobicContact CG2-CE1 3.73Å; I1063-F1092 HydrophobicContact CG2-CZ 4.01Å; I1063-L1095 HydrophobicContact CD1-CD1 3.63Å; I1063-I1129 HydrophobicContact CG1-CD1 4.25Å; I1063-I1129 HydrophobicContact CG2-CD1 4.2Å; I1063-V1137 HydrophobicContact CD1-CG2 3.71Å; I1063-V1137 HydrophobicContact CG1-CG1 4.07Å; I1063-V1137 HydrophobicContact CG1-CG2 3.74Å
1064R89.2Confident83.2Confident125 Ų12559 Ų5947%0.47231%0.314SS..Hα-helixtrans-66.9-37.5176.4-73.8168.8-177.6-171.5-4.6113I1060 S1061 E1062 Q1068 F1092I1060-R1064 WeakPolarHBondContact O-CB 3.47Å; I1060-R1064 VanDerWaalsContact O-CD 3.25Å; I1060-R1064 WeakPolarHBondContact O-CD 3.45Å; I1060-R1064 WeakPolarHBondContact O-CG 3.47Å; I1060-R1064 PolarHBondContact O-N 2.79Å; S1061-R1064 PolarHBondContact O-N 3.45Å; E1062-R1064 PolarHBondContact O-N 3.2Å; R1064-Q1068 WeakPolarHBondContact O-CB 3.49Å; R1064-Q1068 WeakPolarHBondContact O-CG 3.22Å; R1064-Q1068 PolarHBondContact O-N 3.12Å; R1064-F1092 HydrophobicContact CG-CE2 4.28Å; R1064-F1092 HydrophobicContact CG-CZ 3.9Å
1065S88.2Confident84.7Confident61 Ų6162 Ų6243%0.42733%0.325SS..Hα-helixtrans-63.5-50.4174.5-170.10000110.5S1061 E1062 L1067 Q1068 V1069S1061-S1065 WeakPolarHBondContact O-CB 3.48Å; S1061-S1065 PolarHBondContact O-N 3.05Å; E1062-S1065 WeakPolarHBondContact O-CA 3.04Å; E1062-S1065 WeakPolarHBondContact O-CB 3.3Å; E1062-S1065 PolarHBondContact O-N 3.37Å; S1065-L1067 VanDerWaalsContact C-N 3.34Å; S1065-L1067 PolarHBondContact O-N 2.95Å; S1065-Q1068 PolarHBondContact O-N 2.97Å; S1065-Q1068 VanDerWaalsContact O-N 3.15Å; S1065-V1069 WeakPolarHBondContact O-CG2 3.23Å; S1065-V1069 PolarHBondContact O-N 3.42Å
1066L87.1Confident85.9Confident25 Ų2562.7 Ų62.713%0.13133%0.326CS..Hα-helixtrans-63.4-38.2178.4-63.2-179.6000112.2E1062 I1063 V1069 S1070 I1129 Q1139E1062-L1066 HydrophobicContact CG-CD1 4.43Å; E1062-L1066 WeakPolarHBondContact O-CG 3.46Å; E1062-L1066 PolarHBondContact O-N 3.31Å; I1063-L1066 PolarHBondContact O-N 3.14Å; L1066-V1069 PolarHBondContact O-N 3.19Å; L1066-S1070 WeakPolarHBondContact O-CB 3.34Å; L1066-S1070 PolarHBondContact O-N 2.89Å; L1066-I1129 HydrophobicContact CD1-CG2 3.48Å; L1066-I1129 VanDerWaalsContact CD1-CG2 3.48Å; L1066-Q1139 HydrophobicContact CD1-CB 4.49Å; L1066-Q1139 HydrophobicContact CD1-CG 4.28Å
1067L88.2Confident86.7Confident7 Ų764.5 Ų64.54%0.03735%0.345CS..Hα-helixtrans-58.3-48171.8-170.472.7000111.6I1063 S1065 S1070 Y1073 V1084 N1085 L1088 L1127I1063-L1067 WeakPolarHBondContact O-CB 3.36Å; I1063-L1067 PolarHBondContact O-N 3.15Å; S1065-L1067 VanDerWaalsContact C-N 3.34Å; S1065-L1067 PolarHBondContact O-N 2.95Å; L1067-S1070 PolarHBondContact O-N 3.3Å; L1067-S1070 PolarHBondContact O-OG 2.89Å; L1067-Y1073 HydrophobicContact CD1-CD1 4.27Å; L1067-Y1073 HydrophobicContact CD1-CD2 3.4Å; L1067-Y1073 HydrophobicContact CD1-CE2 3.87Å; L1067-Y1073 HydrophobicContact CD1-CG 3.62Å; L1067-Y1073 HydrophobicContact CD2-CD2 4.32Å; L1067-Y1073 HydrophobicContact CD2-CE1 4.29Å; L1067-Y1073 HydrophobicContact CD2-CE2 3.96Å; L1067-Y1073 HydrophobicContact CG-CD1 3.86Å; L1067-Y1073 HydrophobicContact CG-CD2 3.8Å; L1067-Y1073 HydrophobicContact CG-CE1 4.02Å; L1067-Y1073 HydrophobicContact CG-CE2 3.94Å; L1067-Y1073 HydrophobicContact CG-CG 3.74Å; L1067-Y1073 WeakPolarHBondContact O-CB 3.44Å; L1067-Y1073 WeakPolarHBondContact O-CD1 3.43Å; L1067-V1084 HydrophobicContact CD1-CG1 3.96Å; L1067-N1085 WeakPolarHBondContact CD2-OD1 3.46Å; L1067-L1088 HydrophobicContact CD1-CD1 3.86Å; L1067-L1088 HydrophobicContact CD2-CD1 3.95Å; L1067-L1088 HydrophobicContact CG-CD1 4.49Å; L1067-L1127 HydrophobicContact CD1-CD1 3.95Å; L1067-L1127 HydrophobicContact CD1-CD2 4.13Å
1068Q84.1Confident87.2Confident140 Ų14066.5 Ų66.565%0.65436%0.355SS*.Hα-helixtrans-68.7-32.3178.8-73.5177.4-2.800113.6R1064 S1065 N1074R1064-Q1068 WeakPolarHBondContact O-CB 3.49Å; R1064-Q1068 WeakPolarHBondContact O-CG 3.22Å; R1064-Q1068 PolarHBondContact O-N 3.12Å; S1065-Q1068 PolarHBondContact O-N 2.97Å; S1065-Q1068 VanDerWaalsContact O-N 3.15Å; Q1068-N1074 PolarHBondContact O-ND2 3.48Å
1069V86.5Confident87.3Confident104 Ų10465.5 Ų65.563%0.6336%0.356SS*.Hα-helixtrans-76.2-31.8176.1170.60000111.8S1065 L1066 N1071S1065-V1069 WeakPolarHBondContact O-CG2 3.23Å; S1065-V1069 PolarHBondContact O-N 3.42Å; L1066-V1069 PolarHBondContact O-N 3.19Å; V1069-N1071 PolarHBondContact O-N 2.91Å
1070S84.5Confident87.5Confident20 Ų2067.2 Ų67.214%0.1437%0.366CS..  trans-64.7126.1-172.473.70000113.4L1066 L1067 W1072 Y1073 N1074 L1127L1066-S1070 WeakPolarHBondContact O-CB 3.34Å; L1066-S1070 PolarHBondContact O-N 2.89Å; L1067-S1070 PolarHBondContact O-N 3.3Å; L1067-S1070 PolarHBondContact O-OG 2.89Å; S1070-W1072 PolarHBondContact O-N 2.65Å; S1070-Y1073 PolarHBondContact O-N 3.33Å; S1070-Y1073 WeakPolarHBondContact OG-CB 3.4Å; S1070-Y1073 PolarHBondContact OG-N 2.99Å; S1070-N1074 PolarHBondContact O-N 3.45Å; S1070-N1074 VanDerWaalsContact O-N 3.13Å; S1070-N1074 PolarHBondContact O-ND2 3.16Å; S1070-L1127 VanDerWaalsContact OG-CD2 3.27Å; S1070-L1127 WeakPolarHBondContact OG-CD2 3.35Å
1071N85.8Confident87.6Confident129 Ų12969.5 Ų69.569%0.6938%0.375SS*.Hα-helixtrans-61.4-32.4174.2-75.8-54.4000111.9V1069 N1075V1069-N1071 PolarHBondContact O-N 2.91Å; N1071-N1075 WeakPolarHBondContact O-CB 3.46Å; N1071-N1075 PolarHBondContact O-N 3.43Å; N1071-N1075 VanDerWaalsContact O-N 3.13Å; N1071-N1075 PolarHBondContact O-ND2 3.32Å
1072W88.1Confident87.7Confident52 Ų5271.2 Ų71.220%0.19738%0.378CS..Hα-helixtrans-61.4-55.3175.917173.8000111.7S1070 N1074 N1075 L1076 V1084 I1123 K1126 L1127 L1172S1070-W1072 PolarHBondContact O-N 2.65Å; W1072-N1074 VanDerWaalsContact C-N 3.32Å; W1072-N1074 PolarHBondContact O-N 3.43Å; W1072-N1075 PolarHBondContact O-N 3.09Å; W1072-L1076 HydrophobicContact CD2-CD1 4.36Å; W1072-L1076 HydrophobicContact CE3-CD1 4.48Å; W1072-L1076 HydrophobicContact CH2-CD1 3.92Å; W1072-L1076 HydrophobicContact CZ2-CD1 3.77Å; W1072-L1076 HydrophobicContact CZ2-CD2 4.37Å; W1072-L1076 HydrophobicContact CZ2-CG 4.48Å; W1072-L1076 HydrophobicContact CZ3-CD1 4.27Å; W1072-L1076 PolarHBondContact O-N 3.27Å; W1072-V1084 HydrophobicContact CH2-CG1 4.43Å; W1072-V1084 HydrophobicContact CH2-CG2 3.81Å; W1072-V1084 HydrophobicContact CZ3-CG1 4.45Å; W1072-I1123 HydrophobicContact CH2-CB 4.44Å; W1072-I1123 HydrophobicContact CH2-CG1 4.01Å; W1072-K1126 HydrophobicContact CD2-CB 3.48Å; W1072-K1126 VanDerWaalsContact CD2-CB 3.48Å; W1072-K1126 HydrophobicContact CD2-CG 4.04Å; W1072-K1126 HydrophobicContact CE3-CB 3.64Å; W1072-K1126 HydrophobicContact CG-CB 3.92Å; W1072-K1126 HydrophobicContact CG-CD 4.31Å; W1072-K1126 HydrophobicContact CG-CG 4.31Å; W1072-K1126 HydrophobicContact CH2-CB 4.23Å; W1072-K1126 HydrophobicContact CZ2-CB 4.11Å; W1072-K1126 HydrophobicContact CZ2-CG 4.16Å; W1072-K1126 HydrophobicContact CZ3-CB 4.01Å; W1072-L1127 HydrophobicContact CE3-CD2 4.25Å; W1072-L1127 HydrophobicContact CE3-CG 4.49Å; W1072-L1127 HydrophobicContact CZ3-CD2 4.44Å; W1072-L1127 HydrophobicContact CZ3-CG 4.35Å; W1072-L1172 HydrophobicContact CZ2-CD1 4.04Å
1073Y90.5Very high87.7Confident31 Ų3168 Ų6812%0.12236%0.363CS..Hα-helixtrans-61.9-41.6179.8178-100.9000111.3L1067 S1070 N1075 L1076 K1081 V1084 N1085L1067-Y1073 HydrophobicContact CD1-CD1 4.27Å; L1067-Y1073 HydrophobicContact CD1-CD2 3.4Å; L1067-Y1073 HydrophobicContact CD1-CE2 3.87Å; L1067-Y1073 HydrophobicContact CD1-CG 3.62Å; L1067-Y1073 HydrophobicContact CD2-CD2 4.32Å; L1067-Y1073 HydrophobicContact CD2-CE1 4.29Å; L1067-Y1073 HydrophobicContact CD2-CE2 3.96Å; L1067-Y1073 HydrophobicContact CG-CD1 3.86Å; L1067-Y1073 HydrophobicContact CG-CD2 3.8Å; L1067-Y1073 HydrophobicContact CG-CE1 4.02Å; L1067-Y1073 HydrophobicContact CG-CE2 3.94Å; L1067-Y1073 HydrophobicContact CG-CG 3.74Å; L1067-Y1073 WeakPolarHBondContact O-CB 3.44Å; L1067-Y1073 WeakPolarHBondContact O-CD1 3.43Å; S1070-Y1073 PolarHBondContact O-N 3.33Å; S1070-Y1073 WeakPolarHBondContact OG-CB 3.4Å; S1070-Y1073 PolarHBondContact OG-N 2.99Å; Y1073-N1075 VanDerWaalsContact C-N 3.27Å; Y1073-N1075 PolarHBondContact O-N 3.47Å; Y1073-L1076 HydrophobicContact CD2-CD1 4.23Å; Y1073-L1076 WeakPolarHBondContact O-CB 3.41Å; Y1073-L1076 PolarHBondContact O-N 2.97Å; Y1073-L1076 VanDerWaalsContact O-N 3.1Å; Y1073-K1081 HydrophobicContact CD2-CG 4.22Å; Y1073-K1081 HydrophobicContact CE1-CG 4.46Å; Y1073-K1081 HydrophobicContact CE2-CB 3.93Å; Y1073-K1081 HydrophobicContact CE2-CG 3.77Å; Y1073-K1081 WeakPolarHBondContact O-CE 3.4Å; Y1073-V1084 HydrophobicContact CD2-CG1 4.11Å; Y1073-V1084 HydrophobicContact CE2-CB 4.4Å; Y1073-V1084 HydrophobicContact CE2-CG1 4.22Å; Y1073-N1085 PolarHBondContact OH-ND2 3.23Å; Y1073-N1085 PolarHBondContact OH-OD1 2.84Å
1074N87.1Confident88Confident78 Ų7868.5 Ų68.542%0.41737%0.366SS..Hα-helixtrans-61-33.6179.3-77.4-52.3000113.4Q1068 S1070 W1072 K1081Q1068-N1074 PolarHBondContact O-ND2 3.48Å; S1070-N1074 PolarHBondContact O-N 3.45Å; S1070-N1074 VanDerWaalsContact O-N 3.13Å; S1070-N1074 PolarHBondContact O-ND2 3.16Å; W1072-N1074 VanDerWaalsContact C-N 3.32Å; W1072-N1074 PolarHBondContact O-N 3.43Å; N1074-K1081 PolarHBondContact O-NZ 3.41Å
1075N87.3Confident88Confident136 Ų13665.5 Ų65.573%0.72736%0.359SS*.Hα-helixtrans-82.8-7.8176.5-74.4-64000114.9N1071 W1072 Y1073N1071-N1075 WeakPolarHBondContact O-CB 3.46Å; N1071-N1075 PolarHBondContact O-N 3.43Å; N1071-N1075 VanDerWaalsContact O-N 3.13Å; N1071-N1075 PolarHBondContact O-ND2 3.32Å; W1072-N1075 PolarHBondContact O-N 3.09Å; Y1073-N1075 VanDerWaalsContact C-N 3.27Å; Y1073-N1075 PolarHBondContact O-N 3.47Å
1076L84.5Confident88.1Confident22 Ų2265.7 Ų65.712%0.11535%0.354CS..SBendtrans-67.9144.4175.6-72.2176000112.3W1072 Y1073 N1080 K1081 V1084W1072-L1076 HydrophobicContact CD2-CD1 4.36Å; W1072-L1076 HydrophobicContact CE3-CD1 4.48Å; W1072-L1076 HydrophobicContact CH2-CD1 3.92Å; W1072-L1076 HydrophobicContact CZ2-CD1 3.77Å; W1072-L1076 HydrophobicContact CZ2-CD2 4.37Å; W1072-L1076 HydrophobicContact CZ2-CG 4.48Å; W1072-L1076 HydrophobicContact CZ3-CD1 4.27Å; W1072-L1076 PolarHBondContact O-N 3.27Å; Y1073-L1076 HydrophobicContact CD2-CD1 4.23Å; Y1073-L1076 WeakPolarHBondContact O-CB 3.41Å; Y1073-L1076 PolarHBondContact O-N 2.97Å; Y1073-L1076 VanDerWaalsContact O-N 3.1Å; L1076-N1080 HydrophobicContact CB-CB 4.12Å; L1076-N1080 HydrophobicContact CD1-CB 4.38Å; L1076-N1080 HydrophobicContact CD2-CB 4.03Å; L1076-N1080 HydrophobicContact CG-CB 4.41Å; L1076-K1081 HydrophobicContact CB-CG 3.8Å; L1076-K1081 WeakPolarHBondContact O-CD 3.27Å; L1076-K1081 WeakPolarHBondContact O-CE 3.24Å; L1076-K1081 PolarHBondContact O-NZ 3.35Å; L1076-V1084 HydrophobicContact CD1-CG2 3.91Å
1077G88.8Confident88.2Confident43 Ų4365.7 Ų65.744%0.44335%0.353SS..  trans-62.8159.116800000112.4N1079 N1080 K1081G1077-N1079 PolarHBondContact O-N 3.09Å; G1077-N1080 PolarHBondContact O-N 3.43Å; G1077-N1080 VanDerWaalsContact O-N 3.12Å; G1077-K1081 PolarHBondContact O-N 3.11Å
1078T89.1Confident88.3Confident104 Ų10465.4 Ų65.464%0.63835%0.351SS*.Hα-helixtrans-55.7-45.1-176.145.60000113.1N1080 K1081 I1082T1078-N1080 VanDerWaalsContact C-N 3.35Å; T1078-N1080 PolarHBondContact O-N 3.2Å; T1078-K1081 PolarHBondContact O-N 3.36Å; T1078-I1082 VanDerWaalsContact O-CG1 3.3Å; T1078-I1082 WeakPolarHBondContact O-CG1 3.31Å; T1078-I1082 PolarHBondContact O-N 3.21Å
1079N88.4Confident88.6Confident116 Ų11660.9 Ų60.962%0.6234%0.338SS*.Hα-helixtrans-58.4-45.4176.6-65-20.2000111.8G1077 I1082 M1083G1077-N1079 PolarHBondContact O-N 3.09Å; N1079-I1082 PolarHBondContact O-N 3.3Å; N1079-M1083 WeakPolarHBondContact O-CB 3.43Å; N1079-M1083 PolarHBondContact O-N 3.03Å
1080N88.1Confident88.7Confident48 Ų4859.7 Ų59.726%0.25733%0.328SS..Hα-helixtrans-68-38178.3-5950.4000111.4L1076 G1077 T1078 M1083 V1084L1076-N1080 HydrophobicContact CB-CB 4.12Å; L1076-N1080 HydrophobicContact CD1-CB 4.38Å; L1076-N1080 HydrophobicContact CD2-CB 4.03Å; L1076-N1080 HydrophobicContact CG-CB 4.41Å; G1077-N1080 PolarHBondContact O-N 3.43Å; G1077-N1080 VanDerWaalsContact O-N 3.12Å; T1078-N1080 VanDerWaalsContact C-N 3.35Å; T1078-N1080 PolarHBondContact O-N 3.2Å; N1080-M1083 PolarHBondContact O-N 3.14Å; N1080-V1084 VanDerWaalsContact O-CG2 3.31Å; N1080-V1084 WeakPolarHBondContact O-CG2 3.45Å; N1080-V1084 PolarHBondContact O-N 2.88Å
1081K91.3Very high88.9Confident56 Ų5658.8 Ų58.824%0.24332%0.321CS..Hα-helixtrans-61.7-44.1173.2-73.9173.2170.4145.70111.9Y1073 N1074 L1076 G1077 T1078 V1084 N1085Y1073-K1081 HydrophobicContact CD2-CG 4.22Å; Y1073-K1081 HydrophobicContact CE1-CG 4.46Å; Y1073-K1081 HydrophobicContact CE2-CB 3.93Å; Y1073-K1081 HydrophobicContact CE2-CG 3.77Å; Y1073-K1081 WeakPolarHBondContact O-CE 3.4Å; N1074-K1081 PolarHBondContact O-NZ 3.41Å; L1076-K1081 HydrophobicContact CB-CG 3.8Å; L1076-K1081 WeakPolarHBondContact O-CD 3.27Å; L1076-K1081 WeakPolarHBondContact O-CE 3.24Å; L1076-K1081 PolarHBondContact O-NZ 3.35Å; G1077-K1081 PolarHBondContact O-N 3.11Å; T1078-K1081 PolarHBondContact O-N 3.36Å; K1081-V1084 PolarHBondContact O-N 3.33Å; K1081-N1085 WeakPolarHBondContact O-CB 3.39Å; K1081-N1085 VanDerWaalsContact O-CG 3.25Å; K1081-N1085 PolarHBondContact O-N 3.34Å; K1081-N1085 PolarHBondContact O-ND2 2.94Å
1082I89.4Confident89.2Confident106 Ų10653.7 Ų53.754%0.54429%0.293SS..Hα-helixtrans-60-46.7175-68.6162.7000110.2T1078 N1079 N1085 Q1086T1078-I1082 VanDerWaalsContact O-CG1 3.3Å; T1078-I1082 WeakPolarHBondContact O-CG1 3.31Å; T1078-I1082 PolarHBondContact O-N 3.21Å; N1079-I1082 PolarHBondContact O-N 3.3Å; I1082-N1085 PolarHBondContact O-N 3.05Å; I1082-Q1086 WeakPolarHBondContact O-CB 3.43Å; I1082-Q1086 PolarHBondContact O-N 2.78Å
1083M89Confident89.1Confident25 Ų2554.3 Ų54.312%0.12330%0.303CS..Hα-helixtrans-61.4-45.7177.5-175.3-177-64.400112.8N1079 N1080 N1085 Q1086 Q1087 L1175N1079-M1083 WeakPolarHBondContact O-CB 3.43Å; N1079-M1083 PolarHBondContact O-N 3.03Å; N1080-M1083 PolarHBondContact O-N 3.14Å; M1083-N1085 VanDerWaalsContact C-N 3.35Å; M1083-N1085 PolarHBondContact O-N 3Å; M1083-Q1086 PolarHBondContact O-N 3.41Å; M1083-Q1087 WeakPolarHBondContact O-CG 3.33Å; M1083-Q1087 PolarHBondContact O-N 3.22Å; M1083-L1175 HydrophobicContact CE-CB 3.96Å; M1083-L1175 HydrophobicContact CE-CD2 3.93Å; M1083-L1175 HydrophobicContact CE-CG 4.4Å; M1083-L1175 HydrophobicContact SD-CB 4.13Å; M1083-L1175 HydrophobicContact SD-CD1 3.87Å; M1083-L1175 HydrophobicContact SD-CD2 3.78Å; M1083-L1175 HydrophobicContact SD-CG 4.12Å
1084V92.1Very high88.8Confident10 Ų1055.8 Ų55.86%0.06131%0.311CS..Hα-helixtrans-61.6-43.4176.5170.30000110.8L1067 W1072 Y1073 L1076 N1080 K1081 Q1086 Q1087 L1088 I1123L1067-V1084 HydrophobicContact CD1-CG1 3.96Å; W1072-V1084 HydrophobicContact CH2-CG1 4.43Å; W1072-V1084 HydrophobicContact CH2-CG2 3.81Å; W1072-V1084 HydrophobicContact CZ3-CG1 4.45Å; Y1073-V1084 HydrophobicContact CD2-CG1 4.11Å; Y1073-V1084 HydrophobicContact CE2-CB 4.4Å; Y1073-V1084 HydrophobicContact CE2-CG1 4.22Å; L1076-V1084 HydrophobicContact CD1-CG2 3.91Å; N1080-V1084 VanDerWaalsContact O-CG2 3.31Å; N1080-V1084 WeakPolarHBondContact O-CG2 3.45Å; N1080-V1084 PolarHBondContact O-N 2.88Å; K1081-V1084 PolarHBondContact O-N 3.33Å; V1084-Q1086 VanDerWaalsContact C-N 3.32Å; V1084-Q1086 PolarHBondContact O-N 3.11Å; V1084-Q1087 PolarHBondContact O-N 3.05Å; V1084-L1088 HydrophobicContact CG1-CD1 3.89Å; V1084-L1088 HydrophobicContact CG1-CG 4.43Å; V1084-L1088 WeakPolarHBondContact O-CB 3.34Å; V1084-L1088 VanDerWaalsContact O-CG 3.32Å; V1084-L1088 WeakPolarHBondContact O-CG 3.38Å; V1084-L1088 PolarHBondContact O-N 3.49Å; V1084-I1123 HydrophobicContact CB-CD1 4.34Å; V1084-I1123 HydrophobicContact CG1-CD1 4.13Å; V1084-I1123 HydrophobicContact CG1-CG1 4.13Å; V1084-I1123 HydrophobicContact CG1-CG2 4.15Å; V1084-I1123 HydrophobicContact CG2-CD1 4.14Å; V1084-I1123 HydrophobicContact CG2-CG1 4.03Å
1085N90.7Very high88.8Confident62 Ų6252 Ų5233%0.33229%0.291SS..Hα-helixtrans-63.6-35.7174.8-71.3-34.1000112.8L1067 Y1073 K1081 I1082 M1083 A1089L1067-N1085 WeakPolarHBondContact CD2-OD1 3.46Å; Y1073-N1085 PolarHBondContact OH-ND2 3.23Å; Y1073-N1085 PolarHBondContact OH-OD1 2.84Å; K1081-N1085 WeakPolarHBondContact O-CB 3.39Å; K1081-N1085 VanDerWaalsContact O-CG 3.25Å; K1081-N1085 PolarHBondContact O-N 3.34Å; K1081-N1085 PolarHBondContact O-ND2 2.94Å; I1082-N1085 PolarHBondContact O-N 3.05Å; M1083-N1085 VanDerWaalsContact C-N 3.35Å; M1083-N1085 PolarHBondContact O-N 3Å; N1085-A1089 WeakPolarHBondContact O-CB 3.37Å; N1085-A1089 PolarHBondContact O-N 3.46Å
1086Q90.1Very high88.7Confident65 Ų6551.1 Ų51.130%0.30428%0.28SS..Hα-helixtrans-70.7-39.9178.3-171.4174.247.400112.2I1082 M1083 V1084 A1089I1082-Q1086 WeakPolarHBondContact O-CB 3.43Å; I1082-Q1086 PolarHBondContact O-N 2.78Å; M1083-Q1086 PolarHBondContact O-N 3.41Å; V1084-Q1086 VanDerWaalsContact C-N 3.32Å; V1084-Q1086 PolarHBondContact O-N 3.11Å; Q1086-A1089 WeakPolarHBondContact O-CB 3.44Å; Q1086-A1089 PolarHBondContact O-N 3.09Å
1087Q89.5Confident88.7Confident26 Ų2655.5 Ų55.512%0.12130%0.299CS..Hα-helixtrans-67.2-44.7172.8-65.9-67.2-28.100111.1M1083 V1084 A1089 L1090 N1117 T1119 L1120 I1123M1083-Q1087 WeakPolarHBondContact O-CG 3.33Å; M1083-Q1087 PolarHBondContact O-N 3.22Å; V1084-Q1087 PolarHBondContact O-N 3.05Å; Q1087-A1089 PolarHBondContact O-N 3.27Å; Q1087-L1090 WeakPolarHBondContact O-CB 3.49Å; Q1087-L1090 PolarHBondContact O-N 3.08Å; Q1087-N1117 PolarHBondContact OE1-ND2 2.91Å; Q1087-T1119 HydrophobicContact CG-CG2 4.01Å; Q1087-L1120 HydrophobicContact CB-CD2 3.86Å; Q1087-I1123 HydrophobicContact CB-CD1 3.74Å; Q1087-I1123 HydrophobicContact CG-CD1 4.29Å
1088L90.5Very high88.3Confident0 Ų054.4 Ų54.40%028%0.281CS..Hα-helixtrans-64.8-25.7175-71.6174.9000113.1I1063 L1067 V1084 L1090 V1091 F1092 I1123 F1124I1063-L1088 HydrophobicContact CG2-CD1 4.43Å; I1063-L1088 HydrophobicContact CG2-CD2 4.22Å; L1067-L1088 HydrophobicContact CD1-CD1 3.86Å; L1067-L1088 HydrophobicContact CD2-CD1 3.95Å; L1067-L1088 HydrophobicContact CG-CD1 4.49Å; V1084-L1088 HydrophobicContact CG1-CD1 3.89Å; V1084-L1088 HydrophobicContact CG1-CG 4.43Å; V1084-L1088 WeakPolarHBondContact O-CB 3.34Å; V1084-L1088 VanDerWaalsContact O-CG 3.32Å; V1084-L1088 WeakPolarHBondContact O-CG 3.38Å; V1084-L1088 PolarHBondContact O-N 3.49Å; L1088-L1090 VanDerWaalsContact C-N 3.28Å; L1088-L1090 PolarHBondContact O-N 3.19Å; L1088-V1091 WeakPolarHBondContact O-CB 3.21Å; L1088-V1091 PolarHBondContact O-N 3.07Å; L1088-F1092 HydrophobicContact CB-CE1 4.47Å; L1088-F1092 HydrophobicContact CB-CE2 4.07Å; L1088-F1092 HydrophobicContact CB-CZ 3.99Å; L1088-F1092 WeakPolarHBondContact O-CD1 3.35Å; L1088-F1092 WeakPolarHBondContact O-CD2 3.28Å; L1088-F1092 WeakPolarHBondContact O-CG 3.07Å; L1088-F1092 PolarHBondContact O-N 3.14Å; L1088-I1123 HydrophobicContact CD1-CG2 4.33Å; L1088-I1123 HydrophobicContact CD2-CG2 4.01Å; L1088-I1123 HydrophobicContact CG-CG2 4.23Å; L1088-F1124 HydrophobicContact CD2-CE2 3.93Å
1089A89.9Confident87.9Confident46 Ų4651 Ų5138%0.3826%0.259SS..Hα-helixtrans-61.6-35.6174.600000112.5N1085 Q1086 Q1087 F1092 T1093N1085-A1089 WeakPolarHBondContact O-CB 3.37Å; N1085-A1089 PolarHBondContact O-N 3.46Å; Q1086-A1089 WeakPolarHBondContact O-CB 3.44Å; Q1086-A1089 PolarHBondContact O-N 3.09Å; Q1087-A1089 PolarHBondContact O-N 3.27Å; A1089-F1092 PolarHBondContact O-N 2.96Å; A1089-T1093 PolarHBondContact O-N 3.44Å; A1089-T1093 PolarHBondContact O-OG1 2.98Å
1090L88.2Confident87.4Confident79 Ų7952.5 Ų52.541%0.41426%0.262SS..Hα-helixtrans-64.4-46.4174.1-59.6174.7000111Q1087 L1088 F1092 T1093 E1094Q1087-L1090 WeakPolarHBondContact O-CB 3.49Å; Q1087-L1090 PolarHBondContact O-N 3.08Å; L1088-L1090 VanDerWaalsContact C-N 3.28Å; L1088-L1090 PolarHBondContact O-N 3.19Å; L1090-F1092 VanDerWaalsContact C-N 3.29Å; L1090-F1092 PolarHBondContact O-N 3.03Å; L1090-T1093 WeakPolarHBondContact CA-OG1 3.25Å; L1090-T1093 PolarHBondContact O-N 3.44Å; L1090-T1093 PolarHBondContact O-OG1 3.46Å; L1090-E1094 PolarHBondContact O-N 2.99Å; L1090-E1094 VanDerWaalsContact O-N 3.11Å
1091V88.5Confident86.6Confident0 Ų054.8 Ų54.80%027%0.273CS..Hα-helixtrans-58.1-43.2173.3-176.60000110.8L1088 T1093 E1094 L1095 F1113 I1114 L1120 F1124L1088-V1091 WeakPolarHBondContact O-CB 3.21Å; L1088-V1091 PolarHBondContact O-N 3.07Å; V1091-T1093 VanDerWaalsContact C-N 3.27Å; V1091-T1093 PolarHBondContact O-N 3.38Å; V1091-E1094 PolarHBondContact O-N 2.9Å; V1091-L1095 HydrophobicContact CG1-CD1 3.84Å; V1091-L1095 HydrophobicContact CG1-CG 4.21Å; V1091-L1095 WeakPolarHBondContact O-CB 3.35Å; V1091-L1095 WeakPolarHBondContact O-CG 3.36Å; V1091-L1095 PolarHBondContact O-N 2.8Å; V1091-F1113 HydrophobicContact CG2-CE2 4.02Å; V1091-F1113 HydrophobicContact CG2-CZ 4.49Å; V1091-I1114 HydrophobicContact CG1-CD1 4.39Å; V1091-L1120 HydrophobicContact CG2-CD1 3.98Å; V1091-L1120 HydrophobicContact CG2-CD2 3.68Å; V1091-F1124 HydrophobicContact CG1-CZ 4.07Å; V1091-F1124 HydrophobicContact CG2-CE2 4.16Å; V1091-F1124 HydrophobicContact CG2-CZ 4.13Å
1092F91.2Very high85.4Confident22 Ų2256 Ų5610%0.09629%0.287CS..Hα-helixtrans-66.6-23.5177.1-60.3-23.6000113.4I1060 I1063 R1064 L1088 A1089 L1090 K1096I1060-F1092 HydrophobicContact CB-CD1 4.22Å; I1060-F1092 HydrophobicContact CD1-CB 4.12Å; I1060-F1092 WeakPolarHBondContact CD1-O 3.38Å; I1060-F1092 HydrophobicContact CG1-CB 4.33Å; I1060-F1092 HydrophobicContact CG1-CD1 3.81Å; I1060-F1092 HydrophobicContact CG1-CG 4.31Å; I1060-F1092 HydrophobicContact CG2-CB 4.41Å; I1060-F1092 HydrophobicContact CG2-CD1 3.81Å; I1060-F1092 HydrophobicContact CG2-CD2 4.35Å; I1060-F1092 HydrophobicContact CG2-CE1 4.11Å; I1060-F1092 HydrophobicContact CG2-CG 3.94Å; I1063-F1092 HydrophobicContact CB-CE1 3.93Å; I1063-F1092 HydrophobicContact CB-CZ 4.47Å; I1063-F1092 HydrophobicContact CD1-CE1 4.06Å; I1063-F1092 HydrophobicContact CG2-CE1 3.73Å; I1063-F1092 HydrophobicContact CG2-CZ 4.01Å; R1064-F1092 HydrophobicContact CG-CE2 4.28Å; R1064-F1092 HydrophobicContact CG-CZ 3.9Å; L1088-F1092 HydrophobicContact CB-CE1 4.47Å; L1088-F1092 HydrophobicContact CB-CE2 4.07Å; L1088-F1092 HydrophobicContact CB-CZ 3.99Å; L1088-F1092 WeakPolarHBondContact O-CD1 3.35Å; L1088-F1092 WeakPolarHBondContact O-CD2 3.28Å; L1088-F1092 WeakPolarHBondContact O-CG 3.07Å; L1088-F1092 PolarHBondContact O-N 3.14Å; A1089-F1092 PolarHBondContact O-N 2.96Å; L1090-F1092 VanDerWaalsContact C-N 3.29Å; L1090-F1092 PolarHBondContact O-N 3.03Å; F1092-K1096 WeakPolarHBondContact O-CB 3.44Å; F1092-K1096 VanDerWaalsContact O-CG 3.27Å; F1092-K1096 WeakPolarHBondContact O-CG 3.5Å; F1092-K1096 PolarHBondContact O-N 3.24Å
1093T87Confident84.1Confident66 Ų6655.5 Ų55.541%0.40529%0.286SS..Hα-helixtrans-77.4-42.2171.2470000112.4A1089 L1090 V1091 K1096 K1097A1089-T1093 PolarHBondContact O-N 3.44Å; A1089-T1093 PolarHBondContact O-OG1 2.98Å; L1090-T1093 WeakPolarHBondContact CA-OG1 3.25Å; L1090-T1093 PolarHBondContact O-N 3.44Å; L1090-T1093 PolarHBondContact O-OG1 3.46Å; V1091-T1093 VanDerWaalsContact C-N 3.27Å; V1091-T1093 PolarHBondContact O-N 3.38Å; T1093-K1096 WeakPolarHBondContact O-CB 3.24Å; T1093-K1096 PolarHBondContact O-N 2.91Å; T1093-K1097 WeakPolarHBondContact O-CG 3.43Å; T1093-K1097 PolarHBondContact O-N 2.94Å
1094E84.5Confident82.8Confident61 Ų6161.7 Ų61.729%0.28532%0.319SS..Hα-helixtrans-70.8-41.9177.6-62.7-47.3131.900112.4L1090 V1091 K1096 K1097 F1098 F1109 F1113L1090-E1094 PolarHBondContact O-N 2.99Å; L1090-E1094 VanDerWaalsContact O-N 3.11Å; V1091-E1094 PolarHBondContact O-N 2.9Å; E1094-K1096 PolarHBondContact O-N 2.73Å; E1094-K1097 PolarHBondContact O-N 3.12Å; E1094-K1097 WeakPolarHBondContact OE1-CD 3.29Å; E1094-K1097 WeakPolarHBondContact OE1-CE 3.47Å; E1094-K1097 IonicContact OE1-NZ 2.65Å; E1094-K1097 PolarHBondContact OE1-NZ 2.87Å; E1094-K1097 WeakPolarHBondContact OE2-CD 3.19Å; E1094-K1097 IonicContact OE2-NZ 3.53Å; E1094-F1098 WeakPolarHBondContact O-CB 3.36Å; E1094-F1098 PolarHBondContact O-N 3.45Å; E1094-F1109 HydrophobicContact CB-CE2 3.97Å; E1094-F1109 HydrophobicContact CB-CZ 4.39Å; E1094-F1113 HydrophobicContact CB-CE1 3.71Å; E1094-F1113 HydrophobicContact CB-CZ 3.72Å; E1094-F1113 HydrophobicContact CG-CD1 4.24Å; E1094-F1113 HydrophobicContact CG-CE1 3.62Å; E1094-F1113 HydrophobicContact CG-CE2 4.4Å; E1094-F1113 HydrophobicContact CG-CZ 3.71Å
1095L86.2Confident81.3Confident0 Ų063.4 Ų63.40%033%0.334CS..Hα-helixtrans-59.2-28.7172.7-75.7175.3000112.7I1060 I1063 V1091 H1099 F1109 V1131I1060-L1095 HydrophobicContact CD1-CB 4.17Å; I1060-L1095 HydrophobicContact CG1-CB 4.18Å; I1060-L1095 HydrophobicContact CG1-CD1 4.21Å; I1063-L1095 HydrophobicContact CD1-CD1 3.63Å; V1091-L1095 HydrophobicContact CG1-CD1 3.84Å; V1091-L1095 HydrophobicContact CG1-CG 4.21Å; V1091-L1095 WeakPolarHBondContact O-CB 3.35Å; V1091-L1095 WeakPolarHBondContact O-CG 3.36Å; V1091-L1095 PolarHBondContact O-N 2.8Å; L1095-H1099 WeakPolarHBondContact O-CB 3.25Å; L1095-H1099 PolarHBondContact O-N 2.97Å; L1095-H1099 PolarHBondContact O-ND1 3.12Å; L1095-F1109 HydrophobicContact CD2-CD2 4.19Å; L1095-F1109 HydrophobicContact CD2-CE2 3.74Å; L1095-F1109 HydrophobicContact CD2-CZ 4.15Å; L1095-F1109 HydrophobicContact CG-CE2 4.08Å; L1095-F1109 HydrophobicContact CG-CZ 4.36Å; L1095-V1131 HydrophobicContact CD2-CG1 4.07Å
1096K86Confident79.9Confident117 Ų11765.8 Ų65.851%0.50935%0.353SS..Hα-helixtrans-75.2-44.5170.9-82.9177.5-179.8-176.50112.7I1060 F1092 T1093 E1094 Q1100I1060-K1096 HydrophobicContact CD1-CD 4.46Å; I1060-K1096 HydrophobicContact CD1-CG 3.7Å; F1092-K1096 WeakPolarHBondContact O-CB 3.44Å; F1092-K1096 VanDerWaalsContact O-CG 3.27Å; F1092-K1096 WeakPolarHBondContact O-CG 3.5Å; F1092-K1096 PolarHBondContact O-N 3.24Å; T1093-K1096 WeakPolarHBondContact O-CB 3.24Å; T1093-K1096 PolarHBondContact O-N 2.91Å; E1094-K1096 PolarHBondContact O-N 2.73Å; K1096-Q1100 WeakPolarHBondContact O-CB 3.46Å; K1096-Q1100 VanDerWaalsContact O-CG 3.29Å; K1096-Q1100 WeakPolarHBondContact O-CG 3.41Å; K1096-Q1100 PolarHBondContact O-N 3.22Å; K1096-Q1100 PolarHBondContact O-NE2 2.94Å
1097K84.3Confident78.7Confident114 Ų11465.3 Ų65.350%0.49635%0.35SS..Hα-helixtrans-60.7-51.8178.7-75.1163.7170.8-178.40110.5T1093 E1094 H1099 Q1100 L1101T1093-K1097 WeakPolarHBondContact O-CG 3.43Å; T1093-K1097 PolarHBondContact O-N 2.94Å; E1094-K1097 PolarHBondContact O-N 3.12Å; E1094-K1097 WeakPolarHBondContact OE1-CD 3.29Å; E1094-K1097 WeakPolarHBondContact OE1-CE 3.47Å; E1094-K1097 IonicContact OE1-NZ 2.65Å; E1094-K1097 PolarHBondContact OE1-NZ 2.87Å; E1094-K1097 WeakPolarHBondContact OE2-CD 3.19Å; E1094-K1097 IonicContact OE2-NZ 3.53Å; K1097-H1099 VanDerWaalsContact C-N 3.34Å; K1097-H1099 PolarHBondContact O-N 3.33Å; K1097-Q1100 PolarHBondContact O-N 3.46Å; K1097-L1101 PolarHBondContact O-N 2.89Å
1098F81.1Confident77.9Confident19 Ų1970.3 Ų70.38%0.08338%0.376CS..Hα-helixtrans-53.2-47.1179.2-179.7-98.4000113E1094 Q1100 L1101 K1107 I1108 F1109 N1134E1094-F1098 WeakPolarHBondContact O-CB 3.36Å; E1094-F1098 PolarHBondContact O-N 3.45Å; F1098-Q1100 VanDerWaalsContact C-N 3.32Å; F1098-Q1100 PolarHBondContact O-N 2.83Å; F1098-L1101 PolarHBondContact O-N 3.04Å; F1098-K1107 HydrophobicContact CE2-CB 3.74Å; F1098-K1107 HydrophobicContact CE2-CG 4.37Å; F1098-K1107 HydrophobicContact CZ-CB 3.72Å; F1098-K1107 HydrophobicContact CZ-CG 4.46Å; F1098-I1108 VanDerWaalsContact CE2-C 3.43Å; F1098-F1109 HydrophobicContact CB-CD2 4.05Å; F1098-F1109 HydrophobicContact CD1-CD2 4.49Å; F1098-F1109 HydrophobicContact CD2-CB 3.95Å; F1098-F1109 HydrophobicContact CD2-CD2 4.26Å; F1098-F1109 HydrophobicContact CE2-CB 3.85Å; F1098-F1109 VanDerWaalsContact CE2-N 3.27Å; F1098-F1109 HydrophobicContact CG-CB 4.34Å; F1098-F1109 HydrophobicContact CG-CD2 4.01Å; F1098-F1109 HydrophobicContact CZ-CB 4.13Å; F1098-N1134 WeakPolarHBondContact CE1-O 3.44Å
1099H80.3Confident77.4Confident34 Ų3470.6 Ų70.616%0.15738%0.377CS..Hα-helixtrans-76.7-10.2178.5-75.6103000115.2G1056 Q1059 L1095 K1097G1056-H1099 VanDerWaalsContact CA-ND1 3.31Å; G1056-H1099 WeakPolarHBondContact CA-ND1 3.19Å; G1056-H1099 PolarHBondContact N-CD2 3.35Å; G1056-H1099 VanDerWaalsContact N-CD2 3.33Å; G1056-H1099 PolarHBondContact N-ND1 2.83Å; Q1059-H1099 PolarHBondContact NE2-CE1 3.04Å; Q1059-H1099 VanDerWaalsContact NE2-CE1 3.27Å; Q1059-H1099 PolarHBondContact NE2-NE2 2.8Å; Q1059-H1099 VanDerWaalsContact NE2-NE2 3.12Å; L1095-H1099 WeakPolarHBondContact O-CB 3.25Å; L1095-H1099 PolarHBondContact O-N 2.97Å; L1095-H1099 PolarHBondContact O-ND1 3.12Å; K1097-H1099 VanDerWaalsContact C-N 3.34Å; K1097-H1099 PolarHBondContact O-N 3.33Å
1100Q78.4Confident76.9Confident147 Ų14772.9 Ų72.969%0.68738%0.383SS*.Hα-helixtrans-90.4-17173.6-78.4171.8105.900113.2K1096 K1097 F1098K1096-Q1100 WeakPolarHBondContact O-CB 3.46Å; K1096-Q1100 VanDerWaalsContact O-CG 3.29Å; K1096-Q1100 WeakPolarHBondContact O-CG 3.41Å; K1096-Q1100 PolarHBondContact O-N 3.22Å; K1096-Q1100 PolarHBondContact O-NE2 2.94Å; K1097-Q1100 PolarHBondContact O-N 3.46Å; F1098-Q1100 VanDerWaalsContact C-N 3.32Å; F1098-Q1100 PolarHBondContact O-N 2.83Å
1101L69.7Low76.7Confident95 Ų9571 Ų7150%0.49738%0.375SS..SBendtrans-63142173.9-67.5171.1000110.5K1097 F1098 K1107K1097-L1101 PolarHBondContact O-N 2.89Å; F1098-L1101 PolarHBondContact O-N 3.04Å; L1101-K1107 WeakPolarHBondContact O-CE 3.45Å; L1101-K1107 PolarHBondContact O-NZ 3.27Å
1102P66.4Low76.3Confident82 Ų8273.3 Ų73.353%0.53239%0.391SS..  trans-62.1156174.227.7-34.7000111.1D1104 K1107P1102-D1104 PolarHBondContact O-N 2.99Å; P1102-K1107 WeakPolarHBondContact O-CE 3.29Å
1103N62.9Low76Confident96 Ų9674.7 Ų74.751%0.51340%0.397SS..THydrogen-bonded Turntrans-71-10.7-175.9-76.1-6.8000114A1105 K1107N1103-A1105 VanDerWaalsContact C-N 3.29Å; N1103-A1105 PolarHBondContact O-N 3.35Å; N1103-K1107 PolarHBondContact OD1-NZ 3.2Å
1104D61Low75.9Confident154 Ų15472.1 Ų72.182%0.82438%0.381SS*.THydrogen-bonded Turntrans-9112.7-170-41.9-71.6000113.2P1102P1102-D1104 PolarHBondContact O-N 2.99Å
1105A60.4Low75.9Confident47 Ų4772.9 Ų72.939%0.38839%0.39SS..SBendtrans-120.1151.9174.700000110.5N1103 K1107N1103-A1105 VanDerWaalsContact C-N 3.29Å; N1103-A1105 PolarHBondContact O-N 3.35Å; A1105-K1107 PolarHBondContact O-N 3.07Å
1106P61.2Low75.9Confident111 Ų11179 Ų7972%0.72142%0.423SS*.  trans-65.5103.3177.426.9-34.1000110.6I1108P1106-I1108 PolarHBondContact O-N 3.45Å
1107K65.2Low75.8Confident56 Ų5675.4 Ų75.424%0.24341%0.409CS..  trans-85.293.4-179.5-75.4-175.6176.2-175.40110.7F1098 L1101 P1102 N1103 A1105F1098-K1107 HydrophobicContact CE2-CB 3.74Å; F1098-K1107 HydrophobicContact CE2-CG 4.37Å; F1098-K1107 HydrophobicContact CZ-CB 3.72Å; F1098-K1107 HydrophobicContact CZ-CG 4.46Å; L1101-K1107 WeakPolarHBondContact O-CE 3.45Å; L1101-K1107 PolarHBondContact O-NZ 3.27Å; P1102-K1107 WeakPolarHBondContact O-CE 3.29Å; N1103-K1107 PolarHBondContact OD1-NZ 3.2Å; A1105-K1107 PolarHBondContact O-N 3.07Å
1108I73.2Confident76Confident131 Ų13174.2 Ų74.267%0.67241%0.411SS*.  trans-110.1123.7163.8-58.4175.1000107.2F1098 P1106 D1133F1098-I1108 VanDerWaalsContact CE2-C 3.43Å; P1106-I1108 PolarHBondContact O-N 3.45Å; I1108-D1133 HydrophobicContact CG2-CB 4.47Å
1109F79.2Confident76.4Confident5 Ų574.8 Ų74.82%0.02242%0.416CS..  trans-74.9130.6173.3177.1-95.3000108.6E1094 L1095 F1098 V1111 F1113 I1114 V1131 D1133E1094-F1109 HydrophobicContact CB-CE2 3.97Å; E1094-F1109 HydrophobicContact CB-CZ 4.39Å; L1095-F1109 HydrophobicContact CD2-CD2 4.19Å; L1095-F1109 HydrophobicContact CD2-CE2 3.74Å; L1095-F1109 HydrophobicContact CD2-CZ 4.15Å; L1095-F1109 HydrophobicContact CG-CE2 4.08Å; L1095-F1109 HydrophobicContact CG-CZ 4.36Å; F1098-F1109 HydrophobicContact CB-CD2 4.05Å; F1098-F1109 HydrophobicContact CD1-CD2 4.49Å; F1098-F1109 HydrophobicContact CD2-CB 3.95Å; F1098-F1109 HydrophobicContact CD2-CD2 4.26Å; F1098-F1109 HydrophobicContact CE2-CB 3.85Å; F1098-F1109 VanDerWaalsContact CE2-N 3.27Å; F1098-F1109 HydrophobicContact CG-CB 4.34Å; F1098-F1109 HydrophobicContact CG-CD2 4.01Å; F1098-F1109 HydrophobicContact CZ-CB 4.13Å; F1109-V1111 VanDerWaalsContact C-N 3.34Å; F1109-V1111 HydrophobicContact CD1-CG2 3.84Å; F1109-V1111 HydrophobicContact CE1-CG2 4.43Å; F1109-V1111 PolarHBondContact O-N 3.04Å; F1109-F1113 HydrophobicContact CE1-CE1 4.09Å; F1109-F1113 HydrophobicContact CE1-CZ 4.44Å; F1109-F1113 HydrophobicContact CE2-CE1 4.31Å; F1109-F1113 AromaticContact CZ-CE1 3.62Å; F1109-F1113 HydrophobicContact CZ-CE1 3.62Å; F1109-F1113 AromaticContact CZ-CZ 3.77Å; F1109-F1113 HydrophobicContact CZ-CZ 3.77Å; F1109-I1114 HydrophobicContact CE1-CD1 3.73Å; F1109-I1114 HydrophobicContact CZ-CD1 4.09Å; F1109-V1131 HydrophobicContact CD1-CG1 3.57Å; F1109-V1131 HydrophobicContact CE1-CB 4.24Å; F1109-V1131 HydrophobicContact CE1-CG1 3.51Å; F1109-V1131 HydrophobicContact CG-CG1 4.18Å; F1109-V1131 HydrophobicContact CZ-CG1 4.07Å; F1109-D1133 PolarHBondContact N-O 3.47Å
1110D80.1Confident76.7Confident95 Ų9573.2 Ų73.251%0.50841%0.409SS..  trans-75.686.2-178.7-175.88.3000110.9S1112 F1113D1110-S1112 VanDerWaalsContact CG-OG 3.3Å; D1110-S1112 PolarHBondContact O-N 3.45Å; D1110-S1112 VanDerWaalsContact O-N 3.14Å; D1110-S1112 WeakPolarHBondContact OD1-CB 3.46Å; D1110-S1112 PolarHBondContact OD1-N 3.21Å; D1110-S1112 PolarHBondContact OD1-OG 3.29Å; D1110-S1112 PolarHBondContact OD2-OG 2.83Å; D1110-F1113 WeakPolarHBondContact O-CD1 3.34Å; D1110-F1113 VanDerWaalsContact O-CE1 3.25Å; D1110-F1113 WeakPolarHBondContact O-CE1 3.33Å
1111V83.1Confident77.1Confident38 Ų3870.6 Ų70.623%0.2340%0.397CS..THydrogen-bonded Turntrans-62.8-16.2175.8-179.50000111.7F1109 F1113 I1114 V1115F1109-V1111 VanDerWaalsContact C-N 3.34Å; F1109-V1111 HydrophobicContact CD1-CG2 3.84Å; F1109-V1111 HydrophobicContact CE1-CG2 4.43Å; F1109-V1111 PolarHBondContact O-N 3.04Å; V1111-F1113 PolarHBondContact O-N 2.77Å; V1111-I1114 WeakPolarHBondContact O-CB 3.27Å; V1111-I1114 PolarHBondContact O-N 2.83Å; V1111-I1114 VanDerWaalsContact O-N 3.09Å; V1111-V1115 HydrophobicContact CG1-CG2 3.87Å; V1111-V1115 PolarHBondContact O-N 2.95Å
1112S81.5Confident77.8Confident50 Ų5069.5 Ų69.535%0.3539%0.389SS..Hα-helixtrans-63.5-35-173.881.30000113.4D1110 I1114 V1115 N1116D1110-S1112 VanDerWaalsContact CG-OG 3.3Å; D1110-S1112 PolarHBondContact O-N 3.45Å; D1110-S1112 VanDerWaalsContact O-N 3.14Å; D1110-S1112 WeakPolarHBondContact OD1-CB 3.46Å; D1110-S1112 PolarHBondContact OD1-N 3.21Å; D1110-S1112 PolarHBondContact OD1-OG 3.29Å; D1110-S1112 PolarHBondContact OD2-OG 2.83Å; S1112-I1114 VanDerWaalsContact C-N 3.26Å; S1112-I1114 PolarHBondContact O-N 2.8Å; S1112-V1115 PolarHBondContact O-N 2.95Å; S1112-N1116 WeakPolarHBondContact O-CB 3.34Å; S1112-N1116 PolarHBondContact O-N 2.86Å; S1112-N1116 PolarHBondContact O-ND2 3.35Å; S1112-N1116 VanDerWaalsContact O-ND2 3.08Å
1113F85.4Confident78.9Confident51 Ų5165.8 Ų65.822%0.22437%0.365CS..Hα-helixtrans-69.9-24.6177.981.6-94.6000113V1091 E1094 F1109 D1110 V1111 N1117 L1120V1091-F1113 HydrophobicContact CG2-CE2 4.02Å; V1091-F1113 HydrophobicContact CG2-CZ 4.49Å; E1094-F1113 HydrophobicContact CB-CE1 3.71Å; E1094-F1113 HydrophobicContact CB-CZ 3.72Å; E1094-F1113 HydrophobicContact CG-CD1 4.24Å; E1094-F1113 HydrophobicContact CG-CE1 3.62Å; E1094-F1113 HydrophobicContact CG-CE2 4.4Å; E1094-F1113 HydrophobicContact CG-CZ 3.71Å; F1109-F1113 HydrophobicContact CE1-CE1 4.09Å; F1109-F1113 HydrophobicContact CE1-CZ 4.44Å; F1109-F1113 HydrophobicContact CE2-CE1 4.31Å; F1109-F1113 AromaticContact CZ-CE1 3.62Å; F1109-F1113 HydrophobicContact CZ-CE1 3.62Å; F1109-F1113 AromaticContact CZ-CZ 3.77Å; F1109-F1113 HydrophobicContact CZ-CZ 3.77Å; D1110-F1113 WeakPolarHBondContact O-CD1 3.34Å; D1110-F1113 VanDerWaalsContact O-CE1 3.25Å; D1110-F1113 WeakPolarHBondContact O-CE1 3.33Å; V1111-F1113 PolarHBondContact O-N 2.77Å; F1113-N1117 WeakPolarHBondContact O-CB 3.36Å; F1113-L1120 HydrophobicContact CD2-CD1 4.16Å; F1113-L1120 HydrophobicContact CE2-CD1 4.21Å
1114I84.2Confident80.1Confident11 Ų1161.8 Ų61.86%0.05634%0.343CS..Hα-helixtrans-76.8-44.6173.3-55.8-175.7000109.5V1091 F1109 V1111 S1112 N1117 L1120 F1124 V1131V1091-I1114 HydrophobicContact CG1-CD1 4.39Å; F1109-I1114 HydrophobicContact CE1-CD1 3.73Å; F1109-I1114 HydrophobicContact CZ-CD1 4.09Å; V1111-I1114 WeakPolarHBondContact O-CB 3.27Å; V1111-I1114 PolarHBondContact O-N 2.83Å; V1111-I1114 VanDerWaalsContact O-N 3.09Å; S1112-I1114 VanDerWaalsContact C-N 3.26Å; S1112-I1114 PolarHBondContact O-N 2.8Å; I1114-N1117 PolarHBondContact O-N 2.73Å; I1114-L1120 HydrophobicContact CG1-CD1 4.49Å; I1114-L1120 HydrophobicContact CG2-CB 4.17Å; I1114-F1124 HydrophobicContact CD1-CE1 3.97Å; I1114-F1124 HydrophobicContact CD1-CZ 3.9Å; I1114-F1124 HydrophobicContact CG2-CD1 4.16Å; I1114-F1124 HydrophobicContact CG2-CD2 4.46Å; I1114-F1124 HydrophobicContact CG2-CE1 4.02Å; I1114-F1124 HydrophobicContact CG2-CE2 4.34Å; I1114-F1124 HydrophobicContact CG2-CG 4.38Å; I1114-F1124 HydrophobicContact CG2-CZ 4.12Å; I1114-V1131 HydrophobicContact CD1-CB 4.35Å
1115V83.7Confident81.4Confident78 Ų7857.8 Ų57.847%0.47333%0.331SS..Hα-helixtrans-68.6-37.7179.4173.10000112.1V1111 S1112 N1117 Q1121V1111-V1115 HydrophobicContact CG1-CG2 3.87Å; V1111-V1115 PolarHBondContact O-N 2.95Å; S1112-V1115 PolarHBondContact O-N 2.95Å; V1115-N1117 VanDerWaalsContact C-N 3.26Å; V1115-N1117 PolarHBondContact O-N 2.72Å; V1115-Q1121 PolarHBondContact O-NE2 3.38Å
1116N85.9Confident82.6Confident129 Ų12959.5 Ų59.569%0.6933%0.33SS*.THydrogen-bonded Turntrans-73.6-15.2180-69.3-28000113.4S1112S1112-N1116 WeakPolarHBondContact O-CB 3.34Å; S1112-N1116 PolarHBondContact O-N 2.86Å; S1112-N1116 PolarHBondContact O-ND2 3.35Å; S1112-N1116 VanDerWaalsContact O-ND2 3.08Å
1117N85.3Confident83.7Confident40 Ų4054.6 Ų54.621%0.21430%0.297CS..  trans-103.9104-178.9-179.3-21000110.7Q1087 F1113 I1114 V1115 T1119 L1120 Q1121Q1087-N1117 PolarHBondContact OE1-ND2 2.91Å; F1113-N1117 WeakPolarHBondContact O-CB 3.36Å; I1114-N1117 PolarHBondContact O-N 2.73Å; V1115-N1117 VanDerWaalsContact C-N 3.26Å; V1115-N1117 PolarHBondContact O-N 2.72Å; N1117-T1119 PolarHBondContact O-N 2.65Å; N1117-T1119 VanDerWaalsContact O-N 3.11Å; N1117-T1119 WeakPolarHBondContact OD1-CA 3.43Å; N1117-T1119 WeakPolarHBondContact OD1-CB 3.22Å; N1117-T1119 PolarHBondContact OD1-N 2.89Å; N1117-L1120 HydrophobicContact CB-CB 4.04Å; N1117-L1120 HydrophobicContact CB-CD1 4Å; N1117-L1120 HydrophobicContact CB-CG 4.13Å; N1117-L1120 PolarHBondContact O-N 3Å; N1117-L1120 PolarHBondContact OD1-N 3.37Å; N1117-L1120 VanDerWaalsContact OD1-N 3.15Å; N1117-Q1121 PolarHBondContact O-N 3.24Å
1118T88.9Confident84.6Confident90 Ų9055.8 Ų55.855%0.55230%0.303SS*.Hα-helixtrans-56.1-28.3179.253.80000113.9Q1122T1118-Q1122 WeakPolarHBondContact O-CB 3.43Å; T1118-Q1122 WeakPolarHBondContact O-CG 3.46Å; T1118-Q1122 PolarHBondContact O-N 3.46Å; T1118-Q1122 VanDerWaalsContact O-N 3.13Å
1119T87.9Confident85.2Confident30 Ų3049.9 Ų49.918%0.18427%0.272CS..Hα-helixtrans-76.2-38.9176.6-51.10000110.9Q1087 N1117 Q1122 I1123Q1087-T1119 HydrophobicContact CG-CG2 4.01Å; N1117-T1119 PolarHBondContact O-N 2.65Å; N1117-T1119 VanDerWaalsContact O-N 3.11Å; N1117-T1119 WeakPolarHBondContact OD1-CA 3.43Å; N1117-T1119 WeakPolarHBondContact OD1-CB 3.22Å; N1117-T1119 PolarHBondContact OD1-N 2.89Å; T1119-Q1122 PolarHBondContact O-N 3.04Å; T1119-I1123 HydrophobicContact CG2-CD1 4.06Å; T1119-I1123 WeakPolarHBondContact O-CD1 3.48Å; T1119-I1123 WeakPolarHBondContact O-CG1 3.13Å; T1119-I1123 PolarHBondContact O-N 3.45Å
1120L88.2Confident85.4Confident1 Ų153.9 Ų53.91%0.00529%0.29CS..Hα-helixtrans-66-45172.7-74.2177.1000111.6Q1087 V1091 F1113 I1114 N1117 Q1122 I1123 F1124Q1087-L1120 HydrophobicContact CB-CD2 3.86Å; V1091-L1120 HydrophobicContact CG2-CD1 3.98Å; V1091-L1120 HydrophobicContact CG2-CD2 3.68Å; F1113-L1120 HydrophobicContact CD2-CD1 4.16Å; F1113-L1120 HydrophobicContact CE2-CD1 4.21Å; I1114-L1120 HydrophobicContact CG1-CD1 4.49Å; I1114-L1120 HydrophobicContact CG2-CB 4.17Å; N1117-L1120 HydrophobicContact CB-CB 4.04Å; N1117-L1120 HydrophobicContact CB-CD1 4Å; N1117-L1120 HydrophobicContact CB-CG 4.13Å; N1117-L1120 PolarHBondContact O-N 3Å; N1117-L1120 PolarHBondContact OD1-N 3.37Å; N1117-L1120 VanDerWaalsContact OD1-N 3.15Å; L1120-Q1122 VanDerWaalsContact C-N 3.28Å; L1120-Q1122 PolarHBondContact O-N 2.82Å; L1120-I1123 HydrophobicContact CD2-CD1 4.35Å; L1120-I1123 PolarHBondContact O-N 3.15Å; L1120-F1124 HydrophobicContact CD2-CE2 4.17Å; L1120-F1124 WeakPolarHBondContact O-CB 3.37Å; L1120-F1124 WeakPolarHBondContact O-CD2 3.43Å; L1120-F1124 PolarHBondContact O-N 3.21Å
1121Q84.9Confident85.6Confident93 Ų9349.8 Ų49.844%0.43527%0.268SS..Hα-helixtrans-51.3-48.1171.7-69.3-169.9-3.100111.7V1115 N1117 F1124 A1125V1115-Q1121 PolarHBondContact O-NE2 3.38Å; N1117-Q1121 PolarHBondContact O-N 3.24Å; Q1121-F1124 PolarHBondContact O-N 2.86Å; Q1121-A1125 VanDerWaalsContact O-CB 3.26Å; Q1121-A1125 WeakPolarHBondContact O-CB 3.32Å; Q1121-A1125 PolarHBondContact O-N 2.91Å
1122Q85.6Confident85.4Confident72 Ų7249.5 Ų49.534%0.33627%0.265SS..Hα-helixtrans-67.9-37.3-179.5-73.1171.311.900112.8T1118 T1119 L1120 K1126 L1172T1118-Q1122 WeakPolarHBondContact O-CB 3.43Å; T1118-Q1122 WeakPolarHBondContact O-CG 3.46Å; T1118-Q1122 PolarHBondContact O-N 3.46Å; T1118-Q1122 VanDerWaalsContact O-N 3.13Å; T1119-Q1122 PolarHBondContact O-N 3.04Å; L1120-Q1122 VanDerWaalsContact C-N 3.28Å; L1120-Q1122 PolarHBondContact O-N 2.82Å; Q1122-K1126 WeakPolarHBondContact O-CB 3.35Å; Q1122-K1126 WeakPolarHBondContact O-CG 3.45Å; Q1122-K1126 PolarHBondContact O-N 2.97Å; Q1122-K1126 VanDerWaalsContact O-N 3.09Å; Q1122-L1172 HydrophobicContact CB-CD2 4.43Å; Q1122-L1172 VanDerWaalsContact OE1-CD2 3.29Å
1123I88.7Confident85.2Confident3 Ų351.9 Ų51.92%0.01527%0.274CS..Hα-helixtrans-62.4-49.3173.1-70.3160.2000110.4W1072 V1084 Q1087 L1088 T1119 L1120 K1126 L1127W1072-I1123 HydrophobicContact CH2-CB 4.44Å; W1072-I1123 HydrophobicContact CH2-CG1 4.01Å; V1084-I1123 HydrophobicContact CB-CD1 4.34Å; V1084-I1123 HydrophobicContact CG1-CD1 4.13Å; V1084-I1123 HydrophobicContact CG1-CG1 4.13Å; V1084-I1123 HydrophobicContact CG1-CG2 4.15Å; V1084-I1123 HydrophobicContact CG2-CD1 4.14Å; V1084-I1123 HydrophobicContact CG2-CG1 4.03Å; Q1087-I1123 HydrophobicContact CB-CD1 3.74Å; Q1087-I1123 HydrophobicContact CG-CD1 4.29Å; L1088-I1123 HydrophobicContact CD1-CG2 4.33Å; L1088-I1123 HydrophobicContact CD2-CG2 4.01Å; L1088-I1123 HydrophobicContact CG-CG2 4.23Å; T1119-I1123 HydrophobicContact CG2-CD1 4.06Å; T1119-I1123 WeakPolarHBondContact O-CD1 3.48Å; T1119-I1123 WeakPolarHBondContact O-CG1 3.13Å; T1119-I1123 PolarHBondContact O-N 3.45Å; L1120-I1123 HydrophobicContact CD2-CD1 4.35Å; L1120-I1123 PolarHBondContact O-N 3.15Å; I1123-K1126 PolarHBondContact O-N 3.4Å; I1123-L1127 HydrophobicContact CG2-CD1 3.75Å; I1123-L1127 HydrophobicContact CG2-CG 4.48Å; I1123-L1127 WeakPolarHBondContact O-CB 3.4Å; I1123-L1127 WeakPolarHBondContact O-CG 3.33Å; I1123-L1127 PolarHBondContact O-N 2.91Å
1124F88.6Confident84.5Confident13 Ų1354.5 Ų54.56%0.05729%0.29CS..Hα-helixtrans-66-43.2-176-83.1-126.8000111.4L1088 V1091 I1114 L1120 Q1121 K1126 L1127 F1128 I1129 V1131L1088-F1124 HydrophobicContact CD2-CE2 3.93Å; V1091-F1124 HydrophobicContact CG1-CZ 4.07Å; V1091-F1124 HydrophobicContact CG2-CE2 4.16Å; V1091-F1124 HydrophobicContact CG2-CZ 4.13Å; I1114-F1124 HydrophobicContact CD1-CE1 3.97Å; I1114-F1124 HydrophobicContact CD1-CZ 3.9Å; I1114-F1124 HydrophobicContact CG2-CD1 4.16Å; I1114-F1124 HydrophobicContact CG2-CD2 4.46Å; I1114-F1124 HydrophobicContact CG2-CE1 4.02Å; I1114-F1124 HydrophobicContact CG2-CE2 4.34Å; I1114-F1124 HydrophobicContact CG2-CG 4.38Å; I1114-F1124 HydrophobicContact CG2-CZ 4.12Å; L1120-F1124 HydrophobicContact CD2-CE2 4.17Å; L1120-F1124 WeakPolarHBondContact O-CB 3.37Å; L1120-F1124 WeakPolarHBondContact O-CD2 3.43Å; L1120-F1124 PolarHBondContact O-N 3.21Å; Q1121-F1124 PolarHBondContact O-N 2.86Å; F1124-K1126 VanDerWaalsContact C-N 3.29Å; F1124-K1126 PolarHBondContact O-N 3.35Å; F1124-L1127 CarbonylContact O-C 3.57Å; F1124-L1127 PolarHBondContact O-N 3.17Å; F1124-L1127 VanDerWaalsContact O-N 3.16Å; F1124-F1128 PolarHBondContact O-N 3.37Å; F1124-I1129 HydrophobicContact CB-CG1 4.29Å; F1124-I1129 HydrophobicContact CD1-CD1 4.32Å; F1124-I1129 HydrophobicContact CD1-CG1 3.89Å; F1124-I1129 WeakPolarHBondContact CD1-O 3.48Å; F1124-I1129 HydrophobicContact CE1-CD1 4.4Å; F1124-I1129 HydrophobicContact CE1-CG1 4.38Å; F1124-I1129 HydrophobicContact CG-CD1 4.42Å; F1124-I1129 HydrophobicContact CG-CG1 4.04Å; F1124-I1129 PolarHBondContact O-N 3.17Å; F1124-V1131 HydrophobicContact CE1-CB 4.48Å; F1124-V1131 HydrophobicContact CE1-CG2 3.88Å; F1124-V1131 HydrophobicContact CZ-CG2 4.39Å
1125A88Confident84Confident69 Ų6954 Ų5457%0.5729%0.288SS*.Hα-helixtrans-64.4-28.117400000113.6Q1121Q1121-A1125 VanDerWaalsContact O-CB 3.26Å; Q1121-A1125 WeakPolarHBondContact O-CB 3.32Å; Q1121-A1125 PolarHBondContact O-N 2.91Å
1126K85.7Confident83.7Confident84 Ų8455.8 Ų55.837%0.36529%0.291SS..Hα-helixtrans-86-11.8174.9-68.8-69-178.7-171.70114.2W1072 Q1122 I1123 F1124W1072-K1126 HydrophobicContact CD2-CB 3.48Å; W1072-K1126 VanDerWaalsContact CD2-CB 3.48Å; W1072-K1126 HydrophobicContact CD2-CG 4.04Å; W1072-K1126 HydrophobicContact CE3-CB 3.64Å; W1072-K1126 HydrophobicContact CG-CB 3.92Å; W1072-K1126 HydrophobicContact CG-CD 4.31Å; W1072-K1126 HydrophobicContact CG-CG 4.31Å; W1072-K1126 HydrophobicContact CH2-CB 4.23Å; W1072-K1126 HydrophobicContact CZ2-CB 4.11Å; W1072-K1126 HydrophobicContact CZ2-CG 4.16Å; W1072-K1126 HydrophobicContact CZ3-CB 4.01Å; Q1122-K1126 WeakPolarHBondContact O-CB 3.35Å; Q1122-K1126 WeakPolarHBondContact O-CG 3.45Å; Q1122-K1126 PolarHBondContact O-N 2.97Å; Q1122-K1126 VanDerWaalsContact O-N 3.09Å; I1123-K1126 PolarHBondContact O-N 3.4Å; F1124-K1126 VanDerWaalsContact C-N 3.29Å; F1124-K1126 PolarHBondContact O-N 3.35Å
1127L84.7Confident83.5Confident8 Ų850.3 Ų50.34%0.04226%0.262CS..Hα-helixtrans-104-6174.9-68.4176.4000113L1067 S1070 W1072 I1123 F1124 I1129L1067-L1127 HydrophobicContact CD1-CD1 3.95Å; L1067-L1127 HydrophobicContact CD1-CD2 4.13Å; S1070-L1127 VanDerWaalsContact OG-CD2 3.27Å; S1070-L1127 WeakPolarHBondContact OG-CD2 3.35Å; W1072-L1127 HydrophobicContact CE3-CD2 4.25Å; W1072-L1127 HydrophobicContact CE3-CG 4.49Å; W1072-L1127 HydrophobicContact CZ3-CD2 4.44Å; W1072-L1127 HydrophobicContact CZ3-CG 4.35Å; I1123-L1127 HydrophobicContact CG2-CD1 3.75Å; I1123-L1127 HydrophobicContact CG2-CG 4.48Å; I1123-L1127 WeakPolarHBondContact O-CB 3.4Å; I1123-L1127 WeakPolarHBondContact O-CG 3.33Å; I1123-L1127 PolarHBondContact O-N 2.91Å; F1124-L1127 CarbonylContact O-C 3.57Å; F1124-L1127 PolarHBondContact O-N 3.17Å; F1124-L1127 VanDerWaalsContact O-N 3.16Å; L1127-I1129 VanDerWaalsContact C-N 3.28Å; L1127-I1129 HydrophobicContact CB-CD1 4.1Å; L1127-I1129 HydrophobicContact CB-CG1 3.93Å; L1127-I1129 HydrophobicContact CB-CG2 4.47Å; L1127-I1129 HydrophobicContact CD1-CD1 3.99Å; L1127-I1129 PolarHBondContact O-N 3.37Å
1128F83.8Confident83.1Confident81 Ų8151.1 Ų51.136%0.35527%0.269SS..THydrogen-bonded Turntrans5243.3-172.3-62.2-82.5000113.1F1124 Q1139 I1140 E1142F1124-F1128 PolarHBondContact O-N 3.37Å; F1128-Q1139 CarbonylContact O-C 3.36Å; F1128-Q1139 WeakPolarHBondContact O-CA 3.48Å; F1128-Q1139 WeakPolarHBondContact O-CG 3.39Å; F1128-I1140 HydrophobicContact CB-CB 4.43Å; F1128-I1140 PolarHBondContact O-N 3.37Å; F1128-E1142 HydrophobicContact CE2-CG 3.93Å; F1128-E1142 HydrophobicContact CZ-CG 3.99Å
1129I85.4Confident82.4Confident6 Ų652.1 Ų52.13%0.03127%0.267CS..EExtended strand (participates in β ladder)trans-118.8145175.560.8179.6000111.1I1063 L1066 F1124 L1127 V1137I1063-I1129 HydrophobicContact CG1-CD1 4.25Å; I1063-I1129 HydrophobicContact CG2-CD1 4.2Å; L1066-I1129 HydrophobicContact CD1-CG2 3.48Å; L1066-I1129 VanDerWaalsContact CD1-CG2 3.48Å; F1124-I1129 HydrophobicContact CB-CG1 4.29Å; F1124-I1129 HydrophobicContact CD1-CD1 4.32Å; F1124-I1129 HydrophobicContact CD1-CG1 3.89Å; F1124-I1129 WeakPolarHBondContact CD1-O 3.48Å; F1124-I1129 HydrophobicContact CE1-CD1 4.4Å; F1124-I1129 HydrophobicContact CE1-CG1 4.38Å; F1124-I1129 HydrophobicContact CG-CD1 4.42Å; F1124-I1129 HydrophobicContact CG-CG1 4.04Å; F1124-I1129 PolarHBondContact O-N 3.17Å; L1127-I1129 VanDerWaalsContact C-N 3.28Å; L1127-I1129 HydrophobicContact CB-CD1 4.1Å; L1127-I1129 HydrophobicContact CB-CG1 3.93Å; L1127-I1129 HydrophobicContact CB-CG2 4.47Å; L1127-I1129 HydrophobicContact CD1-CD1 3.99Å; L1127-I1129 PolarHBondContact O-N 3.37Å; I1129-V1137 HydrophobicContact CB-CG1 4.24Å; I1129-V1137 HydrophobicContact CG2-CG1 4.13Å
1130F84.2Confident81.6Confident90 Ų9054.6 Ų54.640%0.39528%0.278SS..EExtended strand (participates in β ladder)trans-122.1155.5154.365.4-83.3000110.2D1132 V1137 V1138 I1140F1130-D1132 HydrophobicContact CD2-CB 4.34Å; F1130-D1132 HydrophobicContact CE2-CB 4.16Å; F1130-V1137 WeakPolarHBondContact O-CA 3.3Å; F1130-V1138 HydrophobicContact CD1-CB 4Å; F1130-V1138 HydrophobicContact CD1-CG1 4.32Å; F1130-V1138 WeakPolarHBondContact CD1-O 3.47Å; F1130-V1138 HydrophobicContact CD2-CB 4.21Å; F1130-V1138 HydrophobicContact CE1-CB 3.55Å; F1130-V1138 HydrophobicContact CE1-CG1 3.48Å; F1130-V1138 VanDerWaalsContact CE1-CG1 3.48Å; F1130-V1138 HydrophobicContact CE2-CB 3.78Å; F1130-V1138 HydrophobicContact CE2-CG1 4.3Å; F1130-V1138 HydrophobicContact CE2-CG2 3.97Å; F1130-V1138 HydrophobicContact CG-CB 4.33Å; F1130-V1138 HydrophobicContact CZ-CB 3.44Å; F1130-V1138 VanDerWaalsContact CZ-CB 3.44Å; F1130-V1138 HydrophobicContact CZ-CG1 3.47Å; F1130-V1138 VanDerWaalsContact CZ-CG1 3.47Å; F1130-V1138 HydrophobicContact CZ-CG2 3.96Å; F1130-V1138 PolarHBondContact N-O 2.8Å; F1130-V1138 PolarHBondContact O-N 3.39Å; F1130-I1140 HydrophobicContact CD1-CD1 3.91Å; F1130-I1140 HydrophobicContact CD1-CG1 3.68Å; F1130-I1140 HydrophobicContact CE1-CD1 4.38Å; F1130-I1140 HydrophobicContact CE1-CG1 3.9Å
1131V84.1Confident80.4Confident9 Ų959.3 Ų59.36%0.05531%0.309CS..EExtended strand (participates in β ladder)trans-101.3127.3164.1172.40000105.5L1095 F1109 I1114 F1124 E1136 V1137L1095-V1131 HydrophobicContact CD2-CG1 4.07Å; F1109-V1131 HydrophobicContact CD1-CG1 3.57Å; F1109-V1131 HydrophobicContact CE1-CB 4.24Å; F1109-V1131 HydrophobicContact CE1-CG1 3.51Å; F1109-V1131 HydrophobicContact CG-CG1 4.18Å; F1109-V1131 HydrophobicContact CZ-CG1 4.07Å; I1114-V1131 HydrophobicContact CD1-CB 4.35Å; F1124-V1131 HydrophobicContact CE1-CB 4.48Å; F1124-V1131 HydrophobicContact CE1-CG2 3.88Å; F1124-V1131 HydrophobicContact CZ-CG2 4.39Å; V1131-E1136 WeakPolarHBondContact CA-O 3.33Å; V1131-V1137 HydrophobicContact CG2-CG2 3.93Å
1132D77.9Confident78.8Confident32 Ų3262 Ų6217%0.17132%0.322CS..  trans-83.5174.9178.779.2-13.6000112.2F1130 N1134 G1135 E1136F1130-D1132 HydrophobicContact CD2-CB 4.34Å; F1130-D1132 HydrophobicContact CE2-CB 4.16Å; D1132-N1134 PolarHBondContact O-N 3.48Å; D1132-N1134 VanDerWaalsContact O-N 3.09Å; D1132-N1134 VanDerWaalsContact OD1-C 3.3Å; D1132-N1134 WeakPolarHBondContact OD1-CA 3.33Å; D1132-N1134 WeakPolarHBondContact OD1-CB 3.49Å; D1132-N1134 PolarHBondContact OD1-N 2.82Å; D1132-N1134 PolarHBondContact OD2-ND2 3.24Å; D1132-G1135 PolarHBondContact O-N 2.83Å; D1132-G1135 PolarHBondContact OD1-N 2.65Å; D1132-E1136 PolarHBondContact N-O 2.96Å; D1132-E1136 PolarHBondContact OD1-N 3.09Å
1133D77.6Confident76.5Confident100 Ų10066.1 Ų66.154%0.53534%0.341SS..THydrogen-bonded Turntrans-61.8-17.2177.7-58.6-30.7000112.7I1108 F1109I1108-D1133 HydrophobicContact CG2-CB 4.47Å; F1109-D1133 PolarHBondContact N-O 3.47Å
1134N71.9Confident74.2Confident105 Ų10571.9 Ų71.956%0.56138%0.378SS*.THydrogen-bonded Turntrans-89.6-0.6176.5-49.8-70.2000113F1098 D1132 E1136F1098-N1134 WeakPolarHBondContact CE1-O 3.44Å; D1132-N1134 PolarHBondContact O-N 3.48Å; D1132-N1134 VanDerWaalsContact O-N 3.09Å; D1132-N1134 VanDerWaalsContact OD1-C 3.3Å; D1132-N1134 WeakPolarHBondContact OD1-CA 3.33Å; D1132-N1134 WeakPolarHBondContact OD1-CB 3.49Å; D1132-N1134 PolarHBondContact OD1-N 2.82Å; D1132-N1134 PolarHBondContact OD2-ND2 3.24Å; N1134-E1136 VanDerWaalsContact C-N 3.26Å; N1134-E1136 HydrophobicContact CB-CG 4.5Å; N1134-E1136 PolarHBondContact O-N 3.28Å
1135G73.5Confident71.6Confident0 Ų078.8 Ų78.80%042%0.416CS..SBendtrans71.615.4-176.700000114.5Q1059 D1132Q1059-G1135 WeakPolarHBondContact CG-O 3.48Å; Q1059-G1135 PolarHBondContact NE2-O 3.4Å; D1132-G1135 PolarHBondContact O-N 2.83Å; D1132-G1135 PolarHBondContact OD1-N 2.65Å
1136E76.6Confident69Low116 Ų11678.4 Ų78.454%0.54242%0.418SS..  trans-87.3148.3171.1-58.4-153145.100110.7V1131 D1132 N1134V1131-E1136 WeakPolarHBondContact CA-O 3.33Å; D1132-E1136 PolarHBondContact N-O 2.96Å; D1132-E1136 PolarHBondContact OD1-N 3.09Å; N1134-E1136 VanDerWaalsContact C-N 3.26Å; N1134-E1136 HydrophobicContact CB-CG 4.5Å; N1134-E1136 PolarHBondContact O-N 3.28Å
1137V81.3Confident66.7Low15 Ų1582.1 Ų82.19%0.09144%0.442CS..EExtended strand (participates in β ladder)trans-99109.3-178.2173.10000108Q1059 I1063 I1129 F1130 V1131Q1059-V1137 HydrophobicContact CB-CG2 3.75Å; Q1059-V1137 HydrophobicContact CG-CG2 4.06Å; I1063-V1137 HydrophobicContact CD1-CG2 3.71Å; I1063-V1137 HydrophobicContact CG1-CG1 4.07Å; I1063-V1137 HydrophobicContact CG1-CG2 3.74Å; I1129-V1137 HydrophobicContact CB-CG1 4.24Å; I1129-V1137 HydrophobicContact CG2-CG1 4.13Å; F1130-V1137 WeakPolarHBondContact O-CA 3.3Å; V1131-V1137 HydrophobicContact CG2-CG2 3.93Å
1138V77.9Confident64.3Low57 Ų5785.6 Ų85.635%0.34548%0.48SS..EExtended strand (participates in β ladder)trans-100.7121.9179.4-175.90000108.7F1130F1130-V1138 HydrophobicContact CD1-CB 4Å; F1130-V1138 HydrophobicContact CD1-CG1 4.32Å; F1130-V1138 WeakPolarHBondContact CD1-O 3.47Å; F1130-V1138 HydrophobicContact CD2-CB 4.21Å; F1130-V1138 HydrophobicContact CE1-CB 3.55Å; F1130-V1138 HydrophobicContact CE1-CG1 3.48Å; F1130-V1138 VanDerWaalsContact CE1-CG1 3.48Å; F1130-V1138 HydrophobicContact CE2-CB 3.78Å; F1130-V1138 HydrophobicContact CE2-CG1 4.3Å; F1130-V1138 HydrophobicContact CE2-CG2 3.97Å; F1130-V1138 HydrophobicContact CG-CB 4.33Å; F1130-V1138 HydrophobicContact CZ-CB 3.44Å; F1130-V1138 VanDerWaalsContact CZ-CB 3.44Å; F1130-V1138 HydrophobicContact CZ-CG1 3.47Å; F1130-V1138 VanDerWaalsContact CZ-CG1 3.47Å; F1130-V1138 HydrophobicContact CZ-CG2 3.96Å; F1130-V1138 PolarHBondContact N-O 2.8Å; F1130-V1138 PolarHBondContact O-N 3.39Å
1139Q75.2Confident62Low111 Ų11186.7 Ų86.752%0.51950%0.504SS..EExtended strand (participates in β ladder)trans-86.7125.7175.7-164.9177.110.400110L1066 F1128L1066-Q1139 HydrophobicContact CD1-CB 4.49Å; L1066-Q1139 HydrophobicContact CD1-CG 4.28Å; F1128-Q1139 CarbonylContact O-C 3.36Å; F1128-Q1139 WeakPolarHBondContact O-CA 3.48Å; F1128-Q1139 WeakPolarHBondContact O-CG 3.39Å
1140I71.1Confident59.6Low82 Ų8291.3 Ų91.342%0.42154%0.543SS..PPolyproline II helixtrans-81.5132.8175.8-51.3179.1000108.4F1128 F1130F1128-I1140 HydrophobicContact CB-CB 4.43Å; F1128-I1140 PolarHBondContact O-N 3.37Å; F1130-I1140 HydrophobicContact CD1-CD1 3.91Å; F1130-I1140 HydrophobicContact CD1-CG1 3.68Å; F1130-I1140 HydrophobicContact CE1-CD1 4.38Å; F1130-I1140 HydrophobicContact CE1-CG1 3.9Å
1141P62.3Low57.6Low100 Ų10095.6 Ų95.665%0.64957%0.569SS**PPolyproline II helixtrans-58138.7170.4-25.335.5000112.6E1143P1141-E1143 PolarHBondContact O-N 2.84Å; P1141-E1143 VanDerWaalsContact O-N 3.11Å
1142E50.8Low55.2Low150 Ų15099 Ų9970%0.70161%0.607SS**  trans-78.492.8-179.2-173.6171.3-151.100110.7F1128 P1144F1128-E1142 HydrophobicContact CE2-CG 3.93Å; F1128-E1142 HydrophobicContact CZ-CG 3.99Å; E1142-P1144 WeakPolarHBondContact O-CD 3.42Å
1143E37.7Very low53.3Low158 Ų158101.8 Ų101.874%0.73864%0.643SS**  trans-74.7115.9177.8-80.9-72141.100112.4P1141 N1145P1141-E1143 PolarHBondContact O-N 2.84Å; P1141-E1143 VanDerWaalsContact O-N 3.11Å; E1143-N1145 PolarHBondContact O-N 3.2Å
1144P39.7Very low51.3Low123 Ų123101 Ų10180%0.79966%0.658SS**  trans-97.481.4-174.236.6-31.5000112.3E1142E1142-P1144 WeakPolarHBondContact O-CD 3.42Å
1145N33.7Very low49.6Very low159 Ų15999.8 Ų99.885%0.8567%0.671SS**  trans-146.6129.2-176.7-164.716.4000112.2E1143E1143-N1145 PolarHBondContact O-N 3.2Å
1146G33.7Very low47.9Very low60 Ų60106.9 Ų106.962%0.61971%0.708SS**  cis-177.6150-8.300000111.6
1147N37.7Very low46.2Very low162 Ų162106.1 Ų106.187%0.86672%0.716SS**  trans-84.9110.6173-93.712.7000109.9
1148G35.2Very low44.2Very low82 Ų82109.4 Ų109.485%0.84575%0.753SS**  trans-92.1131.9176.900000113.7
1149A34.7Very low42.3Very low104 Ų104110.9 Ų110.986%0.8678%0.78SS**  trans-167.8166.2157.100000111.6
1150A36.1Very low40.4Very low103 Ų103109.1 Ų109.185%0.85179%0.792SS**  trans77.980.3166.100000119.1
1151L40.4Very low39.1Very low179 Ų179112.6 Ų112.694%0.93782%0.816SS**SBendtrans-80.9139.8137.7-79.8166.9000109.2
1152G35.5Very low37.9Very low82 Ų82111.5 Ų111.585%0.84582%0.823SS**SBendtrans71.68815700000117.6
1153G36.9Very low37.2Very low90 Ų90108.3 Ų108.393%0.92883%0.83SS**  trans-76.5-170.417900000117.5
1154G36.4Very low37Very low82 Ų82105 Ų10585%0.84584%0.838SS**  trans155.977.7169.600000117.2
1155G35.9Very low36.6Very low81 Ų81103.2 Ų103.284%0.83584%0.843SS**  trans70175.216700000116.3
1156D37Very low36.7Very low148 Ų14899.1 Ų99.179%0.79184%0.838SS**  cis-158.5166.2-20.5-179.243.8000109.6
1157S41.3Very low36.7Very low100 Ų10099.6 Ų99.670%0.69984%0.843SS**  trans5597.4158.6-73.90000120.3
1158G39.2Very low36.4Very low84 Ų8495.9 Ų95.987%0.86684%0.843SS**  89.889.4113.100000121.4
1159G37.4Very low36.6Very low89 Ų8995.1 Ų95.192%0.91884%0.835SS**  91.5120.3127.800000120.3
1160G36.3Very low36.9Very low74 Ų7495.9 Ų95.976%0.76383%0.829SS**  trans128.4119.814900000117.6
1161V42.9Very low37.1Very low155 Ų15596.9 Ų96.994%0.93982%0.824SS**  trans62.3105.6150.3-166.60000119.5
1162G37.7Very low37.5Very low76 Ų7690.6 Ų90.678%0.78479%0.791SS**  98.789.4121.300000120.7
1163G35.3Very low38.1Very low83 Ų8390.6 Ų90.686%0.85678%0.776SS**  trans75.496.514300000118.2
1164G34Very low38.2Very low88 Ų8892.5 Ų92.591%0.90777%0.765SS**  trans-73.3149172.500000113.9
1165G32Very low38.6Very low87 Ų8790.7 Ų90.790%0.89774%0.736SS**  trans-102.9-178.6175.300000113.9
1166G34.3Very low38.8Very low72 Ų7291 Ų9174%0.74273%0.725SS**  trans179.5157.3172.900000114.3
1167G34.4Very low38.9Very low70 Ų7091.2 Ų91.272%0.72272%0.722SS**  trans74.6100.4163.200000116.9G1169G1167-G1169 PolarHBondContact O-N 3.29Å; G1167-G1169 VanDerWaalsContact O-N 3.09Å
1168G32.4Very low38.9Very low85 Ų8591.6 Ų91.688%0.87672%0.722SS**  trans-70100169.300000112.1V1170G1168-V1170 PolarHBondContact O-N 3.2Å
1169G38.9Very low39Very low65 Ų6590.2 Ų90.267%0.6770%0.697SS**  trans-75.4110.7176.300000112.3G1167 V1171G1167-G1169 PolarHBondContact O-N 3.29Å; G1167-G1169 VanDerWaalsContact O-N 3.09Å; G1169-V1171 PolarHBondContact O-N 3.07Å
1170V39.8Very low39.4Very low120 Ų12091.4 Ų91.473%0.72769%0.689SS**  trans-62.1108.2171179.90000109.4G1168 L1172G1168-V1170 PolarHBondContact O-N 3.2Å; V1170-L1172 PolarHBondContact O-N 2.7Å
1171V42.2Very low40Very low125 Ų12591.1 Ų91.176%0.75867%0.67SS**PPolyproline II helixtrans-71.2119.6179.2173.40000109.3G1169G1169-V1171 PolarHBondContact O-N 3.07Å
1172L48.1Very low40.2Very low46 Ų4685.7 Ų85.724%0.24164%0.635CS.*PPolyproline II helixtrans-55.3129.4162.1-84.2140.5000108.1W1072 Q1122 V1170W1072-L1172 HydrophobicContact CZ2-CD1 4.04Å; Q1122-L1172 HydrophobicContact CB-CD2 4.43Å; Q1122-L1172 VanDerWaalsContact OE1-CD2 3.29Å; V1170-L1172 PolarHBondContact O-N 2.7Å
1173P47.7Very low41.1Very low82 Ų8287.2 Ų87.253%0.53263%0.634SS.*PPolyproline II helixtrans-53.6146.6179.123.7-33.8000109.9L1175P1173-L1175 VanDerWaalsContact O-CG 3.29Å; P1173-L1175 WeakPolarHBondContact O-CG 3.41Å; P1173-L1175 PolarHBondContact O-N 2.8Å
1174N39.1Very low41.8Very low130 Ų13088.1 Ų88.170%0.69562%0.616SS**  trans-70.288.4-158.2-169.93.2000113.9S1176N1174-S1176 PolarHBondContact O-N 3.03Å; N1174-S1176 VanDerWaalsContact O-N 3.13Å; N1174-S1176 VanDerWaalsContact OD1-CB 3.31Å; N1174-S1176 WeakPolarHBondContact OD1-CB 3.44Å; N1174-S1176 PolarHBondContact OD1-N 3.32Å; N1174-S1176 PolarHBondContact OD1-OG 3.29Å
1175L43.9Very low42.4Very low44 Ų4489.8 Ų89.823%0.2360%0.601CS.*THydrogen-bonded Turntrans-78.719.2179.9-71.6155.7000113.3M1083 P1173 Q1177M1083-L1175 HydrophobicContact CE-CB 3.96Å; M1083-L1175 HydrophobicContact CE-CD2 3.93Å; M1083-L1175 HydrophobicContact CE-CG 4.4Å; M1083-L1175 HydrophobicContact SD-CB 4.13Å; M1083-L1175 HydrophobicContact SD-CD1 3.87Å; M1083-L1175 HydrophobicContact SD-CD2 3.78Å; M1083-L1175 HydrophobicContact SD-CG 4.12Å; P1173-L1175 VanDerWaalsContact O-CG 3.29Å; P1173-L1175 WeakPolarHBondContact O-CG 3.41Å; P1173-L1175 PolarHBondContact O-N 2.8Å; L1175-Q1177 PolarHBondContact O-N 2.96Å
1176S40.9Very low43.2Very low88 Ų8892.1 Ų92.162%0.61559%0.593SS**THydrogen-bonded Turntrans-73.5-12166.983.20000112.8N1174N1174-S1176 PolarHBondContact O-N 3.03Å; N1174-S1176 VanDerWaalsContact O-N 3.13Å; N1174-S1176 VanDerWaalsContact OD1-CB 3.31Å; N1174-S1176 WeakPolarHBondContact OD1-CB 3.44Å; N1174-S1176 PolarHBondContact OD1-N 3.32Å; N1174-S1176 PolarHBondContact OD1-OG 3.29Å
1177Q40.1Very low43.8Very low153 Ų15397.8 Ų97.872%0.71559%0.592SS**SBendtrans-89.3129161.3-67.1-174.8-6.100108.9L1175L1175-Q1177 PolarHBondContact O-N 2.96Å
1178P39.3Very low44Very low108 Ų108100 Ų10070%0.70159%0.587SS**PPolyproline II helixtrans-63.8130.1171.127.6-32.9000108.7
1179P41.7Very low44.6Very low54 Ų54101.1 Ų101.135%0.35158%0.578SS.*PPolyproline II helixtrans-61.8127.3178.324.5-32.7000109.1N1181 L1182P1179-N1181 PolarHBondContact O-N 3.42Å; P1179-L1182 HydrophobicContact CG-CD1 3.73Å; P1179-L1182 HydrophobicContact CG-CG 4.11Å
1180P46.7Very low45Very low115 Ų115103.5 Ų103.575%0.74758%0.582SS**THydrogen-bonded Turntrans-77.258-169.931.8-37000112.5
1181N48.3Very low45.4Very low67 Ų67103 Ų10336%0.35858%0.581SS.*THydrogen-bonded Turntrans-158.9-8.3175-131.1-105.4000116.6P1179 S1183 Q1184 M1185P1179-N1181 PolarHBondContact O-N 3.42Å; N1181-S1183 VanDerWaalsContact C-N 3.32Å; N1181-S1183 PolarHBondContact O-N 2.85Å; N1181-Q1184 PolarHBondContact ND2-OE1 3.31Å; N1181-Q1184 WeakPolarHBondContact O-CA 3.32Å; N1181-Q1184 WeakPolarHBondContact O-CB 3.5Å; N1181-Q1184 PolarHBondContact O-N 2.87Å; N1181-Q1184 PolarHBondContact OD1-OE1 3.33Å; N1181-M1185 PolarHBondContact O-N 3.04Å
1182L48.2Very low45.3Very low42 Ų42105 Ų10522%0.2259%0.587CS.*Hα-helixtrans-60.8-36-173.8-80167.8000114.2P1179 Q1184 M1185 L1186P1179-L1182 HydrophobicContact CG-CD1 3.73Å; P1179-L1182 HydrophobicContact CG-CG 4.11Å; L1182-Q1184 PolarHBondContact O-N 3.09Å; L1182-M1185 PolarHBondContact O-N 2.85Å; L1182-L1186 PolarHBondContact O-N 3.37Å; L1182-L1186 VanDerWaalsContact O-N 3.12Å
1183S55.1Low45Very low108 Ų108110 Ų11076%0.75561%0.613SS**Hα-helixtrans-68.8-14.6173.9-48.70000114N1181N1181-S1183 VanDerWaalsContact C-N 3.32Å; N1181-S1183 PolarHBondContact O-N 2.85Å
1184Q50.1Low44.5Very low102 Ų102117.2 Ų117.248%0.47763%0.63SS.*Hα-helixtrans-90.7-44.3170.7-67.7-179.8-10.700110.2N1181 L1182 L1186 R1187 L1188N1181-Q1184 PolarHBondContact ND2-OE1 3.31Å; N1181-Q1184 WeakPolarHBondContact O-CA 3.32Å; N1181-Q1184 WeakPolarHBondContact O-CB 3.5Å; N1181-Q1184 PolarHBondContact O-N 2.87Å; N1181-Q1184 PolarHBondContact OD1-OE1 3.33Å; L1182-Q1184 PolarHBondContact O-N 3.09Å; Q1184-L1186 PolarHBondContact O-N 2.85Å; Q1184-L1186 VanDerWaalsContact O-N 3.15Å; Q1184-R1187 CarbonylContact O-C 3.49Å; Q1184-R1187 PolarHBondContact O-N 3.42Å; Q1184-L1188 HydrophobicContact CB-CD1 3.98Å; Q1184-L1188 VanDerWaalsContact O-CD1 3.22Å; Q1184-L1188 WeakPolarHBondContact O-CD1 3.44Å; Q1184-L1188 PolarHBondContact O-N 3.44Å
1185M47Very low44.3Very low122 Ų122118.6 Ų118.660%0.60163%0.634SS**Hα-helixtrans-60-25.2176.5-67.6-170.373.200114.4N1181 L1182N1181-M1185 PolarHBondContact O-N 3.04Å; L1182-M1185 PolarHBondContact O-N 2.85Å
1186L49.6Very low44.1Very low136 Ų136122.8 Ų122.871%0.71266%0.656SS**THydrogen-bonded Turntrans-92.14.1173.4-80.6154.8000114.2L1182 Q1184L1182-L1186 PolarHBondContact O-N 3.37Å; L1182-L1186 VanDerWaalsContact O-N 3.12Å; Q1184-L1186 PolarHBondContact O-N 2.85Å; Q1184-L1186 VanDerWaalsContact O-N 3.15Å
1187R45.9Very low44.3Very low191 Ų191129.4 Ų129.472%0.72167%0.667SS**THydrogen-bonded Turntrans-132.9-6.4-178.3-157.7171-175.5134.27.3114.4Q1184Q1184-R1187 CarbonylContact O-C 3.49Å; Q1184-R1187 PolarHBondContact O-N 3.42Å
1188L40.2Very low44.3Very low118 Ų118129 Ų12962%0.61867%0.667SS**SBendtrans-83.6130.4169.7-95.272.7000110.4Q1184Q1184-L1188 HydrophobicContact CB-CD1 3.98Å; Q1184-L1188 VanDerWaalsContact O-CD1 3.22Å; Q1184-L1188 WeakPolarHBondContact O-CD1 3.44Å; Q1184-L1188 PolarHBondContact O-N 3.44Å
1189P44.3Very low44.1Very low107 Ų107130.1 Ų130.170%0.69568%0.677SS**PPolyproline II helixtrans-64.4148.215930.2-33.4000109.3
1190P47.3Very low43.8Very low115 Ų115130.3 Ų130.375%0.74769%0.689SS**PPolyproline II helixtrans-65.5134.4-176.226.3-34.2000111.3
1191P48.6Very low43.5Very low109 Ų109134 Ų13471%0.70870%0.699SS**PPolyproline II helixtrans-65.7140.4171.428.3-33.9000110.4I1193P1191-I1193 PolarHBondContact O-N 3.4Å
1192N39.5Very low43.4Very low167 Ų167137.9 Ų137.989%0.89372%0.717SS**  trans-68.388.5-175.9-87.5-47.4000112.8R1194N1192-R1194 PolarHBondContact O-N 2.67Å
1193I42.4Very low43.2Very low153 Ų153143.1 Ų143.179%0.78574%0.742SS**  trans-76116.6164.1-63.2178.3000108.5P1191 M1195P1191-I1193 PolarHBondContact O-N 3.4Å; I1193-M1195 PolarHBondContact O-N 3.41Å
1194R36.9Very low42.7Very low233 Ų233145 Ų14588%0.87974%0.738SS**  trans-71.9114.6173.9-77.9174.1162.2170-6.6111N1192N1192-R1194 PolarHBondContact O-N 2.67Å
1195M35.2Very low42.2Very low158 Ų158148.5 Ų148.578%0.77876%0.757SS**  trans-137.3108.1147.5-79.7-61.3-172.800107.6I1193I1193-M1195 PolarHBondContact O-N 3.41Å
1196L39.8Very low41.8Very low133 Ų133146.1 Ų146.170%0.69676%0.763SS**  59.2106.4103.4-86.466.6000112.5
1197R44Very low41.1Very low227 Ų227146.9 Ų146.986%0.85777%0.768SS**  62.8100.852.3-167.5-163.7-168.7-175.35.8112.8
1198M39.4Very low40.7Very low144 Ų144144.9 Ų144.971%0.70978%0.777SS**  trans-156.1123.8144.5-89.3-45.9149.500113.9
1199S36Very low40.5Very low131 Ų131142.5 Ų142.592%0.91678%0.781SS**  trans168.6101.6148.5-81.50000108
1200G35.1Very low40.8Very low58 Ų58143.4 Ų143.460%0.59879%0.787SS**  cis-174.4-165.5-4.800000111.1
1201M41.6Very low40.7Very low193 Ų193143.3 Ų143.395%0.95179%0.787SS**  trans67.5139.6175.8-69.417517100116.1
1202M45Very low39.8Very low149 Ų149147.1 Ų147.173%0.73479%0.792SS**  cis-162.5149.2-15.4-153.9-176.7-179.400109.9
1203M45.1Very low39.5Very low152 Ų152145 Ų14575%0.74978%0.781SS**  trans64.3165.1165.4-62-149.1-170.700119.5
1204Q43.5Very low39.1Very low146 Ų146144 Ų14468%0.68277%0.773SS**  cis-170.3137.5-38.3176.8158.5-3100112.2
1205M40.5Very low40Very low177 Ų177138 Ų13887%0.87276%0.764SS**  trans74.1146.9161.6-74.1-69.5-179.800123.1
1206G37.8Very low40.3Very low71 Ų71136.2 Ų136.273%0.73277%0.765SS**  trans80.8112.1161.500000116.9
1207N34.4Very low40.6Very low153 Ų153135 Ų13582%0.81876%0.764SS**  cis7390.91.9-166.286.2000119.7
1208V38.1Very low40.2Very low148 Ų148135.7 Ų135.790%0.89777%0.767SS**  trans-152.7160.8133.8-106.30000110
1209G35.9Very low40Very low69 Ų69132.9 Ų132.971%0.71178%0.775SS**  trans-123.4-151.9-164.300000117.1
1210P51.8Low39.9Very low125 Ų125130.3 Ų130.381%0.81277%0.77SS**  trans-85.3-171.1-166.840.9-41.3000112.6
1211P44.5Very low40.3Very low114 Ų114135.3 Ų135.374%0.7478%0.782SS**  cis-141.7-131.415.742.3-18.2000114.9
1212F29.6Very low40.2Very low188 Ų188135 Ų13583%0.82578%0.78SS**  trans76.3150.8177.4-103.2-121.1000116.9
1213N32.5Very low40.1Very low123 Ų123131.2 Ų131.266%0.65878%0.78SS**  cis-165.9-176.8-33-148.8-24.7000110.5
1214Q34.6Very low40.1Very low131 Ų131132.5 Ų132.561%0.61279%0.786SS**  trans-70.9172.1-179.2-108.4175.7-21.800115.4E467E467-Q1214 PolarHBondContact OE1-NE2 3.14Å
1215P55.5Low40.3Very low108 Ų108130.6 Ų130.670%0.70179%0.786SS**  trans-85.3174-160.236.6-40000115.7
1216P42.8Very low40.7Very low121 Ų121127.8 Ų127.879%0.78678%0.781SS**  -147.7-146.2118.145.1-26.3000113.9
1217P45.7Very low40.8Very low107 Ų107132.1 Ų132.170%0.69579%0.787SS**  -142.4-173.8-120.439.4-13.9000119.9
1218R34.8Very low41.2Very low241 Ų241127.4 Ų127.491%0.90978%0.775SS**  trans86.7121.3155.2-59.4175.182.6156.45.5122.1
1219G34.5Very low41.3Very low86 Ų86128.5 Ų128.589%0.88778%0.776SS**  trans94.5137.3139.900000116.8
1220G34.2Very low41.5Very low77 Ų77128.2 Ų128.279%0.79477%0.773SS**  cis-166.5165.4-5.800000108.9
1221L43.5Very low40.9Very low163 Ų163130.7 Ų130.785%0.85378%0.779SS**  168139.288.9178.265.8000109.5
1222M39.2Very low40.6Very low186 Ų186130.8 Ų130.892%0.91677%0.773SS**  trans60.2135173.6-59.6-94.8-16200118
1223G43.4Very low41Very low70 Ų70130.3 Ų130.372%0.72277%0.774SS**  cis174.9122.3-12.400000114.8
1224M45.7Very low41.2Very low179 Ų179127.3 Ų127.388%0.88277%0.772SS**  trans36.7153.9135.8-65.4-79.589.700123.2
1225P46.8Very low41.2Very low106 Ų106128.8 Ų128.869%0.68879%0.789SS**  cis-139.7-135.3-27.645.5-23.8000112.8
1226P48.8Very low40.4Very low118 Ų118127.6 Ų127.677%0.76680%0.797SS**  trans-134.6-155.4-138.539.5-12.8000116.7
1227N40.8Very low40Very low161 Ų161129.2 Ų129.286%0.86180%0.799SS**  trans83.2145.6165.2-151.246.2000116.3
1228G42.7Very low39.7Very low55 Ų55132.3 Ų132.357%0.56781%0.808SS**  cis173.4175.4-6.700000113.2
1229N40Very low39.8Very low170 Ų170124.3 Ų124.391%0.90980%0.801SS**  trans64.4152174.5-61.5-8.6000118.5
1230G40.5Very low40Very low64 Ų64123.7 Ų123.766%0.6680%0.795SS**  cis160.7150.1-13.100000115.2
1231L38.7Very low40.2Very low176 Ų176128.8 Ų128.892%0.92180%0.803SS**  trans66.9163.9163.7-58.3164.8000119.1
1232N37.9Very low39.9Very low117 Ų117124.8 Ų124.863%0.62680%0.801SS**  175.9137.9-52.6176.725.9000109
1233Q38.8Very low39.9Very low178 Ų178123.9 Ų123.983%0.83279%0.794SS**  trans62.2154.2177.7-71.2160.697.500116.6
1234G37.3Very low39.6Very low60 Ų60128 Ų12862%0.61980%0.799SS**  cis166162.7-8.700000113.3
1235V34.2Very low39.1Very low162 Ų162122.9 Ų122.998%0.98279%0.792SS**  trans51.7135164-63.90000121.6
1236G37.8Very low38.7Very low83 Ų83125.5 Ų125.586%0.85680%0.798SS**  trans160.2131.116300000114.2
1237N35.2Very low38.2Very low155 Ų155125.9 Ų125.983%0.82979%0.794SS**  trans-144.9121.6179.7168.948.7000111.9
1238L39.7Very low38.4Very low171 Ų171126.7 Ų126.790%0.89579%0.793SS**  trans-179.9153.8162.1-124.768.9000107.6
1239G36.3Very low38.2Very low74 Ų74127.9 Ų127.976%0.76381%0.805SS**  cis156.594-1300000115.1
1240G38.8Very low38.1Very low73 Ų73124 Ų12475%0.75381%0.805SS**  trans98.9158.7153.100000119.9
1241L39.2Very low37.8Very low184 Ų184124.5 Ų124.596%0.96381%0.81SS**  trans67.8139.7176.2-43.4179.5000114.4
1242G37.3Very low38Very low78 Ų78122 Ų12280%0.80481%0.805SS**  cis123.8139.613.700000109
1243Q38.1Very low38.3Very low168 Ų168123.5 Ų123.579%0.78582%0.818SS**  cis-165.8160.52.9-166.3-159.3-0.600108.9
1244L36.9Very low38.5Very low157 Ų157120.5 Ų120.582%0.82281%0.814SS**  trans70.1157.6169-48.2178.4000117.4
1245G36Very low38.3Very low71 Ų71125.7 Ų125.773%0.73283%0.827SS**  trans178.4-51.1176.100000120
1246I38.7Very low38.4Very low160 Ų160121 Ų12182%0.82181%0.811SS**  trans58.1134.8175.9-36.4-178.6000118.7
1247N37.6Very low38.6Very low126 Ų126125.5 Ų125.567%0.67482%0.816SS**  trans87.4127152.7-100.8-27.6000122.1
1248Q44.8Very low38.8Very low178 Ų178122.6 Ų122.683%0.83281%0.805SS**  trans35.1134.6144-67170.87200120.8
1249G37.8Very low38.6Very low81 Ų81122.9 Ų122.984%0.83580%0.8SS**  cis146.8110.11.300000111
1250G38.4Very low38.7Very low88 Ų88126.8 Ų126.891%0.90780%0.803SS**  trans-163.3-169.9-172.200000115.3
1251G35.4Very low39.1Very low74 Ų74127.5 Ų127.576%0.76380%0.795SS**  trans175.6-171.9177.900000108.9
1252P42.6Very low38.9Very low125 Ų125128.5 Ų128.581%0.81279%0.791SS**  cis-119.2153.9-838.3-25.8000113.2
1253V43.6Very low38.8Very low147 Ų147128.6 Ų128.689%0.89179%0.792SS**  trans-154.5162.7169.4-98.70000110
1254P42.3Very low38.7Very low116 Ų116124.2 Ų124.275%0.75379%0.793SS**  trans-114177.6-141.243.1-38.5000116.5
1255N33.7Very low38.7Very low169 Ų169123.8 Ų123.890%0.90479%0.791SS**  trans44.692.6145.4-163.724000118.1
1256G37.2Very low38.7Very low62 Ų62127.8 Ų127.864%0.63980%0.796SS**  trans178.7130.3165.300000111.6P1258G1256-P1258 VanDerWaalsContact O-CD 3.3Å; G1256-P1258 WeakPolarHBondContact O-CD 3.4Å
1257N40.8Very low38.7Very low178 Ų178123.5 Ų123.595%0.95279%0.791SS**  trans-114.593.1-178.1-142.233.4000110.8
1258P40Very low38.6Very low94 Ų94121.8 Ų121.861%0.6180%0.803SS**  trans-117.9173.317138.1-28000113.9G1256G1256-P1258 VanDerWaalsContact O-CD 3.3Å; G1256-P1258 WeakPolarHBondContact O-CD 3.4Å
1259F34.8Very low38.2Very low178 Ų178117.2 Ų117.278%0.78180%0.803SS**  trans75.870.5171.2-57.9-66.6000118.9
1260N39.7Very low38.2Very low156 Ų156118.8 Ų118.883%0.83481%0.809SS**  -76.1128.4124.3178.133.2000109.3
1261P45.5Very low38.2Very low88 Ų88117.9 Ų117.957%0.57180%0.799SS**  trans-133.6142.6156.735.3-20.9000115
1262F36.8Very low38.4Very low204 Ų204120.6 Ų120.690%0.89580%0.801SS**  trans-26.4143.3154.5-54.5-104.4000114
1263G33.4Very low38.6Very low80 Ų80122.5 Ų122.583%0.82580%0.801SS**  cis107.8107.917.300000110.8
1264G36.3Very low38.4Very low77 Ų77123 Ų12379%0.79480%0.798SS**  trans15189.8175.800000117.8
1265N37.8Very low38Very low148 Ų148123.7 Ų123.779%0.79180%0.796SS**  46105.5126.2-168.772.2000122.4
1266N35.4Very low38.6Very low155 Ų155123.1 Ų123.183%0.82979%0.79SS**  trans75.5148130.8-161.224.7000121.2
1267G38.6Very low38.6Very low70 Ų70128 Ų12872%0.72280%0.801SS**  trans92.3131179.700000113.2
1268G35.8Very low38.5Very low90 Ų90125.3 Ų125.393%0.92880%0.796SS**  cis138.192.6-2.300000111.7
1269G35.6Very low38.5Very low81 Ų81129.9 Ų129.984%0.83581%0.812SS**  trans-179.8130178.800000112.2
1270A38.5Very low38.6Very low115 Ų115124.7 Ų124.795%0.9581%0.809SS**  trans-85.2145.5-175.300000112.7
1271G38.6Very low38.4Very low68 Ų68125 Ų12570%0.70181%0.81SS**  trans175.6120.1169.600000115.8
1272V40.1Very low38.1Very low132 Ų132129.6 Ų129.680%0.883%0.826SS**  trans60.492.4150.1-166.90000118.9
1273M45.9Very low38.1Very low164 Ų164123.5 Ų123.581%0.80882%0.821SS**  51.7121.7129.3-59.2174.1177.500121.7
1274N38.9Very low38.4Very low157 Ų157128.7 Ų128.784%0.8483%0.826SS**  trans70.1148.5150.8-59.2-15.2000119.2
1275N35.7Very low38.6Very low131 Ų131127.9 Ų127.970%0.70182%0.818SS**  cis-153.6156.3-37.4-166.721000109N1277N1275-N1277 PolarHBondContact O-N 3.07Å
1276M44.7Very low38.5Very low158 Ų158131 Ų13178%0.77883%0.825SS**  trans-14.9109.4170-64.4163.317800117.2
1277N37.1Very low38.8Very low165 Ų165130 Ų13088%0.88282%0.819SS**  -166.3118.797.3-100-11.3000112.5N1275N1275-N1277 PolarHBondContact O-N 3.07Å
1278S39.7Very low38.6Very low121 Ų121134.2 Ų134.285%0.84683%0.825SS**  trans-117.5104.6168.1-178.70000108.9
1279M38.9Very low38.8Very low189 Ų189139 Ų13993%0.93182%0.821SS**  trans-174.992.2148.7-107179.9-179.500109.1
1280G37.3Very low38.9Very low70 Ų70141.3 Ų141.372%0.72281%0.814SS**  trans-91167.3160.200000110.9
1281N35.4Very low38.9Very low161 Ų161142.6 Ų142.686%0.86181%0.805SS**  trans58.779.1156.2-167.535.2000117.9
1282M40.6Very low39Very low185 Ų185146.5 Ų146.591%0.91181%0.81SS**  trans-134.3129.7144.9-76.8-161.4175.600110
1283G35Very low38.9Very low76 Ų76143.5 Ų143.578%0.78481%0.805SS**  trans-76.6140.7-178.600000112.8G1285G1283-G1285 PolarHBondContact O-N 3.01Å
1284M41.3Very low38.7Very low189 Ų189139.2 Ų139.293%0.93180%0.803SS**  trans-80.1104.7174.7-69.9-169.8176.700110.9
1285G39.1Very low38.7Very low61 Ų61144.1 Ų144.163%0.62981%0.81SS**  trans-71.5141.7169.300000112.1G1283 N1287G1283-G1285 PolarHBondContact O-N 3.01Å; G1285-N1287 PolarHBondContact O-N 3.25Å; G1285-N1287 VanDerWaalsContact O-N 3.1Å
1286F37.1Very low38.8Very low214 Ų214141.9 Ų141.994%0.93982%0.818SS**  trans-70.1101.5178.2-70.6-92.3000111.7N1288F1286-N1288 PolarHBondContact O-N 3.47Å
1287N41.4Very low38.7Very low133 Ų133137.5 Ų137.571%0.71181%0.813SS**  trans-85.6105.7173.1-82.4-23.9000111.5G1285 F1289G1285-N1287 PolarHBondContact O-N 3.25Å; G1285-N1287 VanDerWaalsContact O-N 3.1Å; N1287-F1289 HydrophobicContact CB-CD2 4.17Å; N1287-F1289 HydrophobicContact CB-CE2 3.86Å; N1287-F1289 PolarHBondContact O-N 3.36Å
1288N33.4Very low38.9Very low158 Ų158137.4 Ų137.485%0.84581%0.807SS**  trans-75.4101.7174.9-176.112.5000110.7F1286 N1290F1286-N1288 PolarHBondContact O-N 3.47Å; N1288-N1290 PolarHBondContact O-N 3.4Å
1289F41.2Very low38.7Very low192 Ų192140.5 Ų140.584%0.84281%0.805SS**  trans-90.1101.9-178.1-89.4-82.4000112.7N1287N1287-F1289 HydrophobicContact CB-CD2 4.17Å; N1287-F1289 HydrophobicContact CB-CE2 3.86Å; N1287-F1289 PolarHBondContact O-N 3.36Å
1290N38Very low39.2Very low128 Ų128137.3 Ų137.368%0.68480%0.799SS**  trans-127117.3164.9-177.819.3000111N1288N1288-N1290 PolarHBondContact O-N 3.4Å
1291N37.5Very low39.3Very low142 Ų142137.7 Ų137.776%0.75980%0.803SS**  trans63.5133.8159.8-97.5-72.2000122.1
1292N41.6Very low39.5Very low151 Ų151134.2 Ų134.281%0.80781%0.805SS**  trans65.4104.3131.5-166.118.8000121.6
1293G38.1Very low39.6Very low68 Ų68129.3 Ų129.370%0.70180%0.802SS**  106.5138123.400000119.5
1294G40.1Very low40Very low74 Ų74132.1 Ų132.176%0.76381%0.809SS**  trans82.1111.8168.500000114.6
1295R40.5Very low40.1Very low261 Ų261127 Ų12799%0.98581%0.805SS**  66.210758.3-70.4-170.6163.9-133.7-0.2116
1296G37.5Very low40.3Very low84 Ų84127.4 Ų127.487%0.86681%0.809SS**  trans123.4124.3135.100000117.9
1297G41Very low40.6Very low65 Ų65125.6 Ų125.667%0.6781%0.809SS**  trans135.975.8172.300000112.7
1298H41.8Very low40.6Very low164 Ų164123 Ų12376%0.75982%0.815SS**  64.599.895.7-72.362.1000113.5
1299F36.5Very low41Very low185 Ų185123.1 Ų123.181%0.81182%0.815SS**  82.2155.283.1-84.7-63.4000112.6
1300P48.1Very low41.1Very low122 Ų122117.3 Ų117.379%0.79281%0.81SS**  cis-132.9171.6741-24.1000118
1301G39.3Very low41.4Very low79 Ų79117.7 Ų117.781%0.81481%0.812SS**  trans107127.8156.900000115.9
1302G40.8Very low41.4Very low87 Ų87117.6 Ų117.690%0.89781%0.811SS**  cis174.4142.5-10.300000112
1303G42Very low41.4Very low82 Ų82122.3 Ų122.385%0.84582%0.818SS**  trans166.3123.5177.900000115.1
1304S43.9Very low41.5Very low135 Ų135125.2 Ų125.294%0.94482%0.817SS**  trans-32.4151.2179.1-51.80000120
1305G42.6Very low41.8Very low81 Ų81128.3 Ų128.384%0.83581%0.811SS**  trans-168.3-14.5173.600000124.4
1306G44.4Very low41.8Very low70 Ų70126.5 Ų126.572%0.72281%0.805SS**  trans75.1130.2162.500000122
1307N41.9Very low41.9Very low176 Ų176126.5 Ų126.594%0.94180%0.804SS**  trans54.6146.8153.9-59.4-7.4000121.1
1308G43.2Very low42Very low80 Ų80127.2 Ų127.283%0.82581%0.812SS**  cis-162.7-179.4300000112.7
1309N40.3Very low41.9Very low159 Ų159126.9 Ų126.985%0.8582%0.816SS**  trans-109.3152.2-159.2-17014.1000114.9
1310G44.1Very low42.3Very low71 Ų71126.1 Ų126.173%0.73281%0.814SS**  trans-170.7140.1175.900000113.7
1311N44.1Very low42.1Very low136 Ų136130.8 Ų130.873%0.72782%0.816SS**  trans-128.8138.2-155.1-121.5-19.9000116.4
1312N38Very low42.2Very low139 Ų139134.2 Ų134.274%0.74382%0.816SS**  trans32.4124146-71.5-39.3000123.3
1313R40.2Very low42.5Very low251 Ų251141.4 Ų141.495%0.94782%0.816SS**  175.8164.3128.1-98.9165.1177-172.20.1112.2
1314N42Very low42.7Very low128 Ų128144.5 Ų144.568%0.68481%0.813SS**  cis-176.7151.8-43-171.710.2000109.9
1315Q45.1Very low42.5Very low139 Ų139149.6 Ų149.665%0.6583%0.827SS**  trans71.8159.3167.9-39-163.234.800117.4
1316R40.4Very low42.5Very low224 Ų224153 Ų15385%0.84583%0.827SS**  cis-163140.7-0.5-139.4174.3-169-151.50.6113.6
1317G39.4Very low42.4Very low83 Ų83157.4 Ų157.486%0.85683%0.832SS**  trans70.7155.8152.600000119.2
1318G44.2Very low42.5Very low80 Ų80156.3 Ų156.383%0.82583%0.826SS**  cis-172.7163.8-3.800000113.2
1319N38.5Very low42.4Very low158 Ų158160.8 Ų160.885%0.84583%0.826SS**  trans-91.1143.9-171.8-84.7-22.8000115.3
1320H46.7Very low42.6Very low168 Ų168160.9 Ų160.978%0.77883%0.825SS**  trans-166.1116.3140.1-87.9-38.6000109.7
1321R42.7Very low42.5Very low220 Ų220166.9 Ų166.983%0.8383%0.831SS**  84.1116.480.9-85.3-168.2178.6173.8-1.4115.8
1322N42.1Very low42.3Very low152 Ų152169.1 Ų169.181%0.81384%0.838SS**  trans11.7132.9156.6-52.225.4000120.1
1323R45.9Very low42.7Very low238 Ų238171.5 Ų171.590%0.89885%0.846SS**  -167.5160.899.2-108.4175.6-177.5170.11.6114.1
1324N47.2Very low42.9Very low147 Ų147164.8 Ų164.879%0.78684%0.837SS**  trans-55.4142.7171.5-39.514.3000111.6
1325I40.6Very low43Very low241 Ų241168.2 Ų168.2100%1.23685%0.851SS**  -108.50102.8-78176.1000106.5

Retrieved 1,325 of 1,325 residues in 151.3 ms (Link to these results)