A0A096MI56_POEFO Loading...

F-box protein 34

AlphaFold DB , UniProt , Accession A0A096MI56, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 598 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.4Very low37.3Very low235 Ų235169.9 Ų169.9100%1.15884%0.844SS**  0139.60-64.1-60.8-9900108
2H34.5Very low36.8Very low200 Ų200164 Ų16493%0.92683%0.831SS**  trans-87167.2-161.4-82.8-106.1000115.2
3L38.9Very low36.4Very low157 Ų157164.3 Ų164.382%0.82283%0.828SS**  trans-99.5170.5-175.2-67.4164.8000112.8
4R32.4Very low35.9Very low233 Ų233160.8 Ų160.888%0.87982%0.818SS**  trans79.3135.2167.7-49.9-179.1-176.6-171.1-0.3114.2
5S42Very low35.2Very low105 Ų105161.5 Ų161.573%0.73482%0.816SS**  cis103.394.916.8-61.80000115.2
6Y33.1Very low35.1Very low217 Ų217161 Ų16185%0.85182%0.816SS**  trans63.1149.6154.2-75.4-71.8000118.2
7P53.7Low34.7Very low112 Ų112160.9 Ų160.973%0.72782%0.818SS**  -136.4161.176.737.6-22.4000116.7
8K39.7Very low34.4Very low185 Ų185156.6 Ų156.680%0.80481%0.811SS**  trans-105.4156.4142.9-72.7-177.7176.7-178.90107.4
9L37.4Very low34.1Very low166 Ų166156.3 Ų156.387%0.86982%0.816SS**  trans-137.3153.9166.6-73.8176.6000112
10L31.6Very low33.8Very low158 Ų158159.7 Ų159.783%0.82782%0.818SS**  trans-102.9179.1174.1-83.566.6000109.1
11C29.1Very low33.6Very low101 Ų101157.8 Ų157.868%0.68281%0.813SS**  cis-124.4-129.7-0.8-149.90000111.4
12S31.5Very low33.2Very low99 Ų99154 Ų15469%0.69279%0.793SS**  cis-147.3150.46.5-57.80000107.8
13E31.7Very low33Very low168 Ų168149.7 Ų149.779%0.78578%0.781SS**  54.6133.969.6-57.1-160128.900115.9
14V29.4Very low32.6Very low115 Ų115147.8 Ų147.870%0.69778%0.78SS**  cis-159.6142.4-6.8120.50000110
15H26.3Very low32.5Very low171 Ų171142 Ų14279%0.79278%0.776SS**  trans-169.4144.9130.5-129.8-87.9000112.4
16L33.3Very low32Very low154 Ų154145.5 Ų145.581%0.80678%0.781SS**  trans-105.3154.8162.7-80.5160.9000108.3
17D27.2Very low31.8Very low159 Ų159147.1 Ų147.185%0.8579%0.785SS**  -154.4164127.8-130.2-38.2000111.3
18A30.4Very low30.6Very low84 Ų84147.1 Ų147.169%0.69479%0.788SS**  trans-118.8158.2-177.600000111.6
19V29Very low30.2Very low150 Ų150142.4 Ų142.491%0.90978%0.783SS**  trans-155.3146.3138129.40000111.5
20R26.7Very low29.8Very low224 Ų224144 Ų14485%0.84578%0.78SS**  trans-83.9-178.9-175.3-168.2-166.7-86.4170.2-9.9110.4
21V29.7Very low29.8Very low120 Ų120145.8 Ų145.873%0.72778%0.781SS**  trans81.9146157.71650000116.7
22Q29.7Very low29.7Very low155 Ų155144.7 Ų144.772%0.72479%0.786SS**  cis-173.1165.9-35.4-149.9174.9-4.800109.7
23T29.9Very low29.8Very low111 Ų111145 Ų14568%0.68179%0.789SS**  trans66.4147.8156.163.40000122.1
24S30.7Very low29.8Very low116 Ų116146.3 Ų146.381%0.81180%0.795SS**  trans74.2148.4146.783.10000118.2
25S29.8Very low30Very low112 Ų112148.9 Ų148.978%0.78380%0.799SS**  cis-151.6170.8-23.1-160.50000111.1
26Q32.2Very low30.3Very low179 Ų179148.2 Ų148.284%0.83680%0.796SS**  trans-58.7145.3172.6-52.2162.16.100112.6
27R29.6Very low30.2Very low250 Ų250145.4 Ų145.494%0.94379%0.785SS**  -161.7149116.8-118.1175.6178.4169.4-0.4113.7
28S28.5Very low30.3Very low112 Ų112145.5 Ų145.578%0.78379%0.785SS**  trans-110.5143.6164.3168.80000108.2
29A30.7Very low30.2Very low86 Ų86148.1 Ų148.171%0.71179%0.785SS**  trans-172.2123147.700000113.9
30Y29.3Very low30.4Very low201 Ų201147.8 Ų147.879%0.78878%0.775SS**  trans62.2116.7134.4-81.5-104.9000123.9
31F30.6Very low30.5Very low194 Ų194144.4 Ų144.485%0.85177%0.767SS**  57.1134128.5-84-105.1000122.1
32G27.5Very low30.4Very low78 Ų78145.9 Ų145.980%0.80477%0.767SS**  trans168.881.7167.700000113.1
33S34Very low30.4Very low107 Ų107143.3 Ų143.375%0.74877%0.766SS**  trans-87.9132.3173.353.90000111.4
34H30.7Very low30.5Very low195 Ų195141.8 Ų141.890%0.90376%0.76SS**  trans-157.6175.4143.8-123.7-89.3000111.9
35Q33.3Very low30.5Very low169 Ų169142.8 Ų142.879%0.7976%0.756SS**  trans-122.2174.1-160.5-161.9179.1-6.400111.5
36E33.5Very low30.8Very low157 Ų157145.5 Ų145.573%0.73476%0.757SS**  trans96.2111.9155.8-61.1-135.477.500121.6
37T30.8Very low30.8Very low94 Ų94141.5 Ų141.558%0.57775%0.749SS**  63.2119.6111.9-460000121.5M39T37-M39 HydrophobicContact CG2-CE 4.19Å; T37-M39 HydrophobicContact CG2-CG 4.29Å
38L30.5Very low30.8Very low162 Ų162135.9 Ų135.985%0.84874%0.737SS**  trans175.6116.2137.8-92.4170.3000106.3
39M28.5Very low31Very low138 Ų138137.5 Ų137.568%0.6874%0.736SS**  cis88.3136.147.7-71.1-136.6-155.700115.8T37T37-M39 HydrophobicContact CG2-CE 4.19Å; T37-M39 HydrophobicContact CG2-CG 4.29Å
40M32.9Very low31Very low143 Ų143137.9 Ų137.970%0.70473%0.733SS**  trans75.4143.4160.5-63.1-39173.600119.8
41K27.3Very low31Very low154 Ų154134 Ų13467%0.6773%0.731SS**  cis-172.5172.1-20.1-143.3177.7-168.7171.90112.3
42M28.9Very low31.1Very low151 Ų151129 Ų12974%0.74472%0.72SS**  trans73.6149.3162.8-54.4-39.1-15800117.9
43S29.3Very low31.4Very low101 Ų101136.7 Ų136.771%0.70673%0.725SS**  cis-160.9149.7-10.7-113.20000114.1
44S31.7Very low31.7Very low79 Ų79139.3 Ų139.355%0.55273%0.728SS**  trans38.4144.7137.4-132.90000121.6
45N31.2Very low32.1Very low136 Ų136135.5 Ų135.573%0.72772%0.721SS**  cis-141.213734.3-69-56.5000110.8
46Q35.7Very low32Very low169 Ų169135.4 Ų135.479%0.7973%0.725SS**  54.9129.985.3-63.7-17264.700114.6
47S32.1Very low31.8Very low96 Ų96133.8 Ų133.867%0.67173%0.731SS**  cis-156.5-167.51.561.80000108.7
48N30.8Very low31.9Very low132 Ų132138.9 Ų138.971%0.70675%0.745SS**  cis-166.1170.36.9-126.6-17.2000107.2
49I32.7Very low32Very low146 Ų146138.2 Ų138.275%0.74974%0.741SS**  cis-155.8-166.5-6.6-159.5156.5000109.5
50S29.3Very low32Very low93 Ų93137 Ų13765%0.6575%0.746SS**  trans-55.2167.6174.4-131.10000116.5
51T30Very low31.9Very low121 Ų121136.8 Ų136.874%0.74275%0.753SS**  cis-14612137.948.70000118.5
52S32.7Very low31.9Very low89 Ų89136.6 Ų136.662%0.62276%0.76SS**  trans44.4139.2130.579.10000124.6
53R33.8Very low32Very low239 Ų239134.9 Ų134.990%0.90276%0.758SS**  trans94.8125.2153.2-51.5-170.8-161.4-1262.3118.3
54I39.2Very low32.1Very low162 Ų162136.8 Ų136.883%0.83176%0.759SS**  trans-115.1133.8169.5-71.2165.6000105.1
55P39Very low31.8Very low115 Ų115138.9 Ų138.975%0.74777%0.772SS**  -148.5147.8100.737.4-19.5000117.3
56L32.1Very low31.6Very low166 Ų166142.5 Ų142.587%0.86978%0.777SS**  trans23.3117142-62.3168.2000119.6
57S30.3Very low31.2Very low123 Ų123140.3 Ų140.386%0.8678%0.781SS**  trans-140.9135.5140.355.50000111.6
58F31.1Very low31.1Very low201 Ų201142.3 Ų142.388%0.88279%0.789SS**  trans-87.7-172.6162.3-114.7-105.3000108.7
59I33.3Very low31Very low149 Ų149139.9 Ų139.976%0.76480%0.795SS**  trans86.1113.3177.7-51.1162.1000111.3
60S28.9Very low30.8Very low112 Ų112136.8 Ų136.878%0.78380%0.8SS**  cis78.373.634.8-170.10000115.2
61T29.7Very low30.9Very low138 Ų138138 Ų13885%0.84781%0.808SS**  trans-119.5103.3162.740.20000111.3
62N27.9Very low30.9Very low151 Ų151137.4 Ų137.481%0.80781%0.809SS**  trans-88.7173.8150.2-162.5-5.1000107.9
63T31.8Very low30.6Very low114 Ų114140.1 Ų140.170%0.69981%0.812SS**  trans95.1113.3169.3-45.60000117.3
64L30.1Very low30.5Very low141 Ų141136.4 Ų136.474%0.73881%0.809SS**  trans15126155.4-67.1101.3000121
65C27.1Very low30.1Very low123 Ų123136.4 Ų136.483%0.83180%0.803SS**  trans-83.9126.7146.1-620000110.2
66Y26.8Very low29.5Very low212 Ų212135.5 Ų135.583%0.83181%0.805SS**  trans-80.5130.8158.1-92.2-104.6000108.9
67S27.4Very low29.4Very low124 Ų124135.3 Ų135.387%0.86780%0.804SS**  trans-93.6103.4177.6-63.20000111.3
68T29.9Very low29.3Very low137 Ų137141 Ų14184%0.8481%0.806SS**  trans-97.8129.7162.2-54.30000108.6
69G28.7Very low29.1Very low81 Ų81134.5 Ų134.584%0.83580%0.796SS**  trans-73.4139-172.800000113.9
70G28.4Very low29.1Very low82 Ų82133.7 Ų133.785%0.84580%0.799SS**  trans-153.6111.8170.700000110
71S30.4Very low29.2Very low119 Ų119135.1 Ų135.183%0.83280%0.803SS**  trans-102.2130.1-1761800000111.5
72S29.9Very low29.1Very low108 Ų108131.6 Ų131.676%0.75579%0.794SS**  178.6112.6124.436.10000114.4
73H27.6Very low29.3Very low146 Ų146133.3 Ų133.368%0.67680%0.797SS**  50.2121.8116.2-148.6-115.6000120.7
74L31.5Very low29.1Very low161 Ų161135 Ų13584%0.84380%0.797SS**  -167165.8116.4-102.3170.7000113.8
75K29.9Very low29.1Very low161 Ų161135.4 Ų135.470%0.780%0.799SS**  trans-103.6154.8-154-59.3165.3173.6173.70115.8
76A26.8Very low29.3Very low96 Ų96134.1 Ų134.179%0.79379%0.792SS**  trans-157.2106.9135.800000110.2
77L29.2Very low29.3Very low163 Ų163128.5 Ų128.585%0.85378%0.782SS**  70.8116.682.1-118.383000116.8
78R29Very low29.3Very low241 Ų241130.5 Ų130.591%0.90978%0.778SS**  176.1123.2115-175.2174.9-62.9-111.12.3113.8
79G27.5Very low29.2Very low65 Ų65128.7 Ų128.767%0.6777%0.767SS**  trans79.2152.6156.200000118.3
80T32.6Very low29.1Very low133 Ų133132.4 Ų132.482%0.81677%0.767SS**  cis-161.1143-13-16.30000111.9
81T31.7Very low28.9Very low142 Ų142132 Ų13287%0.87176%0.764SS**  trans65139158.4-29.50000118.4
82G28.1Very low28.8Very low64 Ų64137.5 Ų137.566%0.6677%0.766SS**  trans170-8.516200000125
83Q30.9Very low28.7Very low187 Ų187137.5 Ų137.587%0.87477%0.765SS**  trans64.4165.5176.7-64.3174.895.200116.4
84Q28.1Very low28.8Very low149 Ų149136.1 Ų136.170%0.69677%0.772SS**  cis-173150.5-34.6169160-43.700109
85L28.9Very low28.7Very low150 Ų150132.9 Ų132.979%0.78577%0.768SS**  trans65.4155.7174.5-69.5154.6000114.7
86S31.5Very low29.3Very low96 Ų96130.7 Ų130.767%0.67177%0.77SS**  cis-177.9156.5-17.551.10000108.2
87C26.6Very low29.5Very low93 Ų93134.3 Ų134.363%0.62878%0.775SS**  cis-172.5147.8-11-1050000107.8
88Q28.7Very low29.4Very low167 Ų167130 Ų13078%0.7877%0.771SS**  trans64.6157.5141.2-64.2-178.969.600118.6
89T27.4Very low29.9Very low98 Ų98124.2 Ų124.260%0.60177%0.765SS**  cis-159.6151.9-9.414.40000112.2
90D25.5Very low29.8Very low159 Ų159126.5 Ų126.585%0.8577%0.769SS**  trans56.4160.6139.1-59.7-22.7000125.2
91G25.9Very low29.6Very low75 Ų75130.3 Ų130.377%0.77377%0.768SS**  trans100.191.2164.600000114.7
92R28.4Very low29.3Very low233 Ų233128 Ų12888%0.87976%0.758SS**  cis96111.440-172.9-172-83.1-121.46113.9
93C26.3Very low29.3Very low108 Ų108129.1 Ų129.173%0.7376%0.761SS**  trans77.7128.7152.8-72.50000123.5
94S29.5Very low29.2Very low118 Ų118126.6 Ų126.683%0.82576%0.759SS**  trans81.8135.1134.3-59.80000122.5
95A31.3Very low29.6Very low93 Ų93128.9 Ų128.977%0.76977%0.769SS**  trans-91.4170.2164.400000111.4
96P41.7Very low29.8Very low114 Ų114130.2 Ų130.274%0.7477%0.772SS**  -152.8170.6100.438.4-20.1000117.1
97L31.5Very low29.9Very low172 Ų172129.6 Ų129.690%0.90177%0.772SS**  trans33.3126.7146.3-56165.1000119.4
98G26.5Very low30.4Very low74 Ų74132.4 Ų132.476%0.76378%0.781SS**  92.7159.163.900000111.8
99P39.3Very low30.8Very low119 Ų119130.9 Ų130.977%0.77378%0.783SS**  cis-135.3-170.9-4.744.6-26.4000115.5
100C25.3Very low31.6Very low113 Ų113132.3 Ų132.376%0.76479%0.791SS**  trans24.2148.8142.7-66.30000122.9
101R29.3Very low32.4Very low212 Ų212130.1 Ų130.180%0.879%0.786SS**  cis-172.1153.25.9-125.4176.770.4170.36111.5
102S25.7Very low33.1Very low95 Ų95133 Ų13366%0.66478%0.783SS**  trans47.1141.8149.754.40000121.5
103A26.7Very low33.8Very low86 Ų86127.1 Ų127.171%0.71177%0.773SS**  cis-172.9-168-8.700000106.2
104T29.3Very low34.4Very low135 Ų135133 Ų13383%0.82878%0.78SS**  cis-160.6144.88.9-28.90000108.8
105E35.9Very low35.5Very low196 Ų196132.9 Ų132.992%0.91678%0.775SS**  trans-155.8170141.6-129.5-177.813600111.6
106E34.1Very low35.8Very low179 Ų179134.8 Ų134.884%0.83678%0.777SS**  trans-83.1178-157.6-99.9-71.6147.700117.4
107A34.2Very low36Very low82 Ų82136.8 Ų136.868%0.67878%0.78SS**  trans72.597.515900000120.5
108D35.5Very low36.3Very low152 Ų152137.3 Ų137.381%0.81377%0.774SS**  trans-53.4144.1146.7-72.5-71.3000112.2
109T37.8Very low37.3Very low135 Ų135140.4 Ų140.483%0.82878%0.781SS**  176.2152.810830.50000113.7P111T109-P111 WeakPolarHBondContact O-CD 3.37Å
110V44.5Very low37.2Very low128 Ų128137.6 Ų137.678%0.77677%0.773SS**  trans-79123.8-179.9177.30000111.8N112V110-N112 PolarHBondContact O-N 3.12Å
111P41.5Very low38.3Very low113 Ų113141.2 Ų141.273%0.73478%0.779SS**  trans-74.591.6173.9-15.331.2000111.8T109 V113T109-P111 WeakPolarHBondContact O-CD 3.37Å; P111-V113 HydrophobicContact CB-CG2 4.39Å; P111-V113 PolarHBondContact O-N 2.63Å
112N41.9Very low39.3Very low135 Ų135136.2 Ų136.272%0.72277%0.772SS**  trans-81.681.6179.6-155.8-7.6000110.9V110 W114V110-N112 PolarHBondContact O-N 3.12Å; N112-W114 PolarHBondContact O-N 3.49Å; N112-W114 VanDerWaalsContact O-N 3.07Å
113V43.1Very low40.6Very low110 Ų110143 Ų14367%0.66778%0.783SS**  trans-80.789.2-170.8-177.40000112.4P111 T115P111-V113 HydrophobicContact CB-CG2 4.39Å; P111-V113 PolarHBondContact O-N 2.63Å; V113-T115 HydrophobicContact CG1-CG2 4.04Å
114W37.8Very low42.1Very low231 Ų231146.3 Ų146.388%0.87578%0.783SS**  trans-106.485161.3-80.364.2000109.9N112 V116N112-W114 PolarHBondContact O-N 3.49Å; N112-W114 VanDerWaalsContact O-N 3.07Å; W114-V116 PolarHBondContact O-N 3.1Å
115T51.7Low42.9Very low116 Ų116149.8 Ų149.871%0.71279%0.787SS**  trans-80.4103.4-179.232.20000112.5V113 I117V113-T115 HydrophobicContact CG1-CG2 4.04Å; T115-I117 PolarHBondContact O-N 3.12Å; T115-I117 VanDerWaalsContact O-N 3.1Å
116V38.8Very low44Very low134 Ų134147.7 Ų147.781%0.81278%0.78SS**  trans-69.3103.4172.3179.70000110.1W114 K118W114-V116 PolarHBondContact O-N 3.1Å; V116-K118 PolarHBondContact O-N 3.45Å
117I46.3Very low44.4Very low156 Ų156142.6 Ų142.680%0.877%0.769SS**  trans-71.7111.2175.6-57177.6000109.3T115T115-I117 PolarHBondContact O-N 3.12Å; T115-I117 VanDerWaalsContact O-N 3.1Å
118K37.6Very low44.9Very low182 Ų182146.1 Ų146.179%0.79178%0.775SS**  trans-72143.7168.6-71.7-176.2177.3178.40110.1V116 G120V116-K118 PolarHBondContact O-N 3.45Å; K118-G120 VanDerWaalsContact C-N 3.26Å; K118-G120 PolarHBondContact O-N 3.08Å
119P47.8Very low45.2Very low140 Ų140147.7 Ų147.791%0.90978%0.775SS**  trans-74.175.3179.131-35.6000112.1
120G36.1Very low45.3Very low59 Ų59146 Ų14661%0.60878%0.775SS**  trans-78139.9168.300000111.5K118 V122K118-G120 VanDerWaalsContact C-N 3.26Å; K118-G120 PolarHBondContact O-N 3.08Å; G120-V122 PolarHBondContact O-N 3.29Å
121H49.4Very low45Very low189 Ų189145.4 Ų145.488%0.87578%0.776SS**  trans-8475.6-168.2-162.898.1000112.9
122V48.7Very low44.9Very low107 Ų107148.7 Ų148.765%0.64878%0.781SS**  trans-129133.3174.8-155.60000111.3G120 E124G120-V122 PolarHBondContact O-N 3.29Å; V122-E124 HydrophobicContact CB-CG 4.28Å; V122-E124 HydrophobicContact CG1-CG 3.72Å; V122-E124 WeakPolarHBondContact CG1-OE1 3.23Å; V122-E124 PolarHBondContact O-N 3.14Å
123R54.5Low44.6Very low239 Ų239147 Ų14790%0.90279%0.786SS**  trans-93.666.8-177.3-69.8178.864.4-154.62.2111.8
124E56.9Low44.1Very low154 Ų154146.8 Ų146.872%0.7279%0.788SS**  trans-92.3132.1179.7-57.5-166.8-176.700111.8V122V122-E124 HydrophobicContact CB-CG 4.28Å; V122-E124 HydrophobicContact CG1-CG 3.72Å; V122-E124 WeakPolarHBondContact CG1-OE1 3.23Å; V122-E124 PolarHBondContact O-N 3.14Å
125K47.7Very low43.8Very low208 Ų208139.9 Ų139.990%0.90478%0.781SS**  trans-92.197174.5-77-172.2173.7-172.40109.2A127K125-A127 PolarHBondContact O-N 2.98Å
126I57.9Low43Very low152 Ų152142 Ų14278%0.77979%0.788SS**  trans-69.2117.3170.1-56.1177000108.3I128I126-I128 HydrophobicContact CG2-CG1 4.3Å
127A43.4Very low42.6Very low72 Ų72139.1 Ų139.160%0.59579%0.785SS**  trans-99.5120.4168.600000108.6K125 F129K125-A127 PolarHBondContact O-N 2.98Å; A127-F129 HydrophobicContact CB-CD2 4.3Å; A127-F129 HydrophobicContact CB-CE2 3.77Å
128I43.9Very low41.9Very low157 Ų157136.6 Ų136.681%0.80578%0.781SS**  trans-92112.3178-57174.8000107.9I126I126-I128 HydrophobicContact CG2-CG1 4.3Å
129F41Very low41.8Very low185 Ų185134.6 Ų134.681%0.81179%0.785SS**  trans-104.8122.8168.5-68.8-84.6000108.7A127A127-F129 HydrophobicContact CB-CD2 4.3Å; A127-F129 HydrophobicContact CB-CE2 3.77Å
130A41Very low41.7Very low100 Ų100133 Ų13383%0.82677%0.774SS**  trans-81.1126.5169.700000109.2E132A130-E132 PolarHBondContact O-N 3.5Å
131S38.6Very low41.6Very low114 Ų114138.5 Ų138.580%0.79779%0.789SS**  trans-86.8102.3175.555.30000110.6A133S131-A133 PolarHBondContact O-N 3.25Å
132E39.7Very low40.6Very low182 Ų182132.8 Ų132.885%0.8578%0.781SS**  trans-78.1102.5169.5-171.7163.8-157.900109.4A130 C134A130-E132 PolarHBondContact O-N 3.5Å; E132-C134 PolarHBondContact O-N 3.44Å
133A35Very low40.4Very low100 Ų100133 Ų13383%0.82679%0.785SS**  trans-90.388.9-173.400000111.7S131S131-A133 PolarHBondContact O-N 3.25Å
134C32.7Very low39.5Very low105 Ų105128.9 Ų128.971%0.70978%0.78SS**  trans-90.6140167.9-68.90000111.6E132E132-C134 PolarHBondContact O-N 3.44Å
135A31.6Very low38.4Very low86 Ų86132.4 Ų132.471%0.71179%0.786SS**  trans-130.2110.6161.100000107.4
136N34.4Very low37.5Very low161 Ų161127.4 Ų127.486%0.86178%0.784SS**  69.612089.7-60-20.1000112
137G31Very low36.4Very low73 Ų73126.2 Ų126.275%0.75378%0.783SS**  cis-177.9-169.90.700000109
138S31.3Very low35.8Very low104 Ų104132.5 Ų132.573%0.72780%0.797SS**  cis-177.7121.2-14.146.50000112.4
139T34.4Very low35.6Very low140 Ų140129.6 Ų129.686%0.85980%0.797SS**  trans59.3174.4158.630.10000119.4
140P46.3Very low35.2Very low107 Ų107131 Ų13170%0.69580%0.803SS**  cis-117.1167.5-17.630.8-10.9000112.7
141L34.2Very low34.6Very low173 Ų173129.5 Ų129.591%0.90680%0.796SS**  -172.5163.373.8-84163.4000110.3
142G29.4Very low34.3Very low69 Ų69128.8 Ų128.871%0.71179%0.791SS**  trans-100.2-150.917800000114.4
143P42.5Very low33.9Very low112 Ų112131.8 Ų131.873%0.72780%0.795SS**  cis-146.7-174.19.542.8-22.4000117.7
144L37.3Very low33.9Very low153 Ų153134.2 Ų134.280%0.80179%0.79SS**  trans74.7143160.1-61.4-179.6000118.4
145R33.8Very low34.1Very low227 Ų227135.1 Ų135.186%0.85778%0.783SS**  cis-142.8143.21.2-57.1178.8179.7-178.6-1.2111.9
146A29.1Very low34.3Very low104 Ų104137.1 Ų137.186%0.8678%0.782SS**  trans-164.9145.9146.400000109.2
147V33.1Very low34.2Very low126 Ų126138.8 Ų138.876%0.76478%0.776SS**  trans-122.3137-152.8174.20000115.1
148K30.8Very low34.3Very low204 Ų204141.5 Ų141.589%0.88778%0.784SS**  trans67.4129161.5-83.5175.6174.5178.20120.5
149A41Very low34.6Very low96 Ų96141.5 Ų141.579%0.79379%0.79SS**  trans-110.9-178.9153.100000109.8
150K32.5Very low34.6Very low216 Ų216144.1 Ų144.194%0.93979%0.789SS**  170.7146.2127.7-175.1162.8-176.5176.40113.3
151G27.9Very low34.1Very low67 Ų67149.7 Ų149.769%0.69180%0.796SS**  trans99.1108.8170.900000113.1
152S32.9Very low34.2Very low99 Ų99152.4 Ų152.469%0.69280%0.795SS**  cis69.4106.39.2-178.40000116.2
153W30.9Very low34.5Very low245 Ų245161.1 Ų161.193%0.92881%0.806SS**  -158.1174.1105.4-114.666.6000111.8
154E34.2Very low34Very low152 Ų152166.7 Ų166.771%0.7181%0.813SS**  trans-101.8165.8-157.1-146.778.4-162.800115.2
155E37.4Very low34.1Very low124 Ų124165.5 Ų165.558%0.57982%0.816SS**  trans53.1151.1154.3-90.9-162.9149.300120R157E155-R157 IonicContact OE1-CZ 2.67Å; E155-R157 IonicContact OE1-NE 3.25Å; E155-R157 PolarHBondContact OE1-NE 3.03Å; E155-R157 VanDerWaalsContact OE1-NE 3.11Å; E155-R157 IonicContact OE1-NH2 3.03Å; E155-R157 PolarHBondContact OE1-NH2 2.99Å
156N35Very low33.9Very low127 Ų127162.7 Ų162.768%0.67982%0.817SS**  cis-150.3-175.733.5-139.2-57.1000114.6
157R33.2Very low34.1Very low196 Ų196161.9 Ų161.974%0.7481%0.805SS**  trans-92.4156.1-164.4-50.4156.9-158.3-166.23.9112.8E155E155-R157 IonicContact OE1-CZ 2.67Å; E155-R157 IonicContact OE1-NE 3.25Å; E155-R157 PolarHBondContact OE1-NE 3.03Å; E155-R157 VanDerWaalsContact OE1-NE 3.11Å; E155-R157 IonicContact OE1-NH2 3.03Å; E155-R157 PolarHBondContact OE1-NH2 2.99Å
158S34Very low33.8Very low131 Ų131162.7 Ų162.792%0.91681%0.805SS**  trans-165.5135.1137.7-91.60000112.5
159A36.6Very low34Very low103 Ų103161 Ų16185%0.85180%0.8SS**  trans-128.8130.6176.600000110.7
160K35.2Very low33.4Very low196 Ų196162 Ų16285%0.85279%0.792SS**  trans-149.693.3172.8-143.1155.6-172.3170.30115.6
161R34.7Very low33.3Very low223 Ų223161.1 Ų161.184%0.84279%0.791SS**  58.8112.1122.1-157.7-175.6-154.1-145.89119.1
162R36.3Very low33.3Very low230 Ų230165.4 Ų165.487%0.86879%0.793SS**  trans18.9134.5145-60.4179.1178.7179.2-0.5118.9
163R35.2Very low33.4Very low252 Ų252169.2 Ų169.295%0.95180%0.804SS**  -149.3166.4119.6-107.7171.1-152.1-100.76111.1
164R33.2Very low33.4Very low230 Ų230162.8 Ų162.887%0.86879%0.788SS**  trans-109.2164.3-178.3-78.7-173-88-160.2-3.5110.3
165C38.9Very low33.3Very low128 Ų128163.3 Ų163.387%0.86579%0.791SS**  trans-59.5141.5173.9-45.80000112.6
166L30.6Very low32.9Very low168 Ų168169.2 Ų169.288%0.8881%0.808SS**  trans-164.4154.5157.4-86.3125000104
167S31.4Very low32.8Very low86 Ų86167.3 Ų167.360%0.60181%0.805SS**  cis159.6114.4-14166.90000103.6
168N28.5Very low32.5Very low144 Ų144166 Ų16677%0.7781%0.806SS**  trans42120.3158.9-53.7-9.9000119.8
169Q34.2Very low32.4Very low168 Ų168165.9 Ų165.979%0.78579%0.794SS**  165.3149.4102.9-85.8-152.145.100112.5
170N28.1Very low32.1Very low118 Ų118168.8 Ų168.863%0.63180%0.795SS**  trans30.1128151.4-73.2-54.5000120.9
171H31.1Very low31.7Very low197 Ų197165.4 Ų165.491%0.91279%0.79SS**  -138.6128.6110.1-119.3-78.2000111.8
172Q27.9Very low31.3Very low157 Ų157162 Ų16273%0.73478%0.784SS**  trans-90.1141.7177.2-179.6-177.249.500109.1
173L35.7Very low31.3Very low178 Ų178156.7 Ų156.793%0.93278%0.779SS**  trans-146.6153.6160.6-106.1173.8000108.6
174D31Very low31Very low110 Ų110151.7 Ų151.759%0.58877%0.767SS**  trans-146.1168.9-135.3-173.427.8000113.7
175Q31.5Very low30.9Very low164 Ų164146.1 Ų146.177%0.76676%0.761SS**  trans64.9113.8167.3-70.7153.862.200119.1
176R28.7Very low30.2Very low248 Ų248150.3 Ų150.394%0.93676%0.758SS**  -156164.696.4-154156.1-179.11450.3111.5
177S32.8Very low29.9Very low87 Ų87148.6 Ų148.661%0.60876%0.759SS**  trans-119.1158.9-156.550.20000115.9
178H28Very low29.9Very low167 Ų167150.1 Ų150.177%0.77377%0.769SS**  trans161.9108.3134-98.9-94.3000108.4
179I31.8Very low29.8Very low130 Ų130152.2 Ų152.267%0.66778%0.775SS**  73.3106.770.6-63.4171.7000113.9
180L30.4Very low29.4Very low164 Ų164148 Ų14886%0.85978%0.776SS**  trans174.791.3145.8-96170.8000106.8
181T24.8Very low29.8Very low124 Ų124148 Ų14876%0.76178%0.782SS**  85.897.279.6-57.90000114.1
182E27.8Very low29.8Very low152 Ų152142.5 Ų142.571%0.7178%0.779SS**  trans-47.6168.7160.9-80-66.2131.600114.6E184E182-E184 PolarHBondContact OE2-N 2.96Å
183P36.2Very low29.9Very low118 Ų118138.3 Ų138.377%0.76678%0.778SS**  cis-150.9159.63942.6-21.2000122.9
184E28.2Very low29.8Very low147 Ų147138.2 Ų138.269%0.68777%0.773SS**  trans-59.2142.7154.4-111-77.912800115.4E182E182-E184 PolarHBondContact OE2-N 2.96Å
185P30.4Very low30Very low114 Ų114142 Ų14274%0.7479%0.786SS**  trans-107.387.5168.637.2-27.6000113.7
186R24.7Very low30Very low215 Ų215137.7 Ų137.781%0.81179%0.786SS**  trans-19.8143.2166.3-49.6173.9-174.9178.7-0118
187C25.1Very low29.9Very low133 Ų133135.8 Ų135.890%0.89979%0.788SS**  trans-56.2146.9151-64.80000111.2
188S30.6Very low30.2Very low117 Ų117135.8 Ų135.882%0.81879%0.793SS**  trans-123.4148.4175-65.20000111.5
189E26.6Very low30.8Very low189 Ų189133.8 Ų133.888%0.88380%0.795SS**  trans-87172.5-172.1-59.7163.399.700113.5
190G25.5Very low30.9Very low79 Ų79135.3 Ų135.381%0.81480%0.799SS**  trans-151.9105.4153.300000111.9
191P36.5Very low31.6Very low118 Ų118133.1 Ų133.177%0.76680%0.795SS**  trans-124.6151.714136.6-28.7000110.9
192G31.1Very low31.9Very low82 Ų82131 Ų13185%0.84579%0.789SS**  trans-101.2160-179.900000113.7
193G30.4Very low32.1Very low68 Ų68129.5 Ų129.570%0.70180%0.796SS**  trans98.274.3134.500000119.6
194Q34.4Very low31.8Very low177 Ų177127.4 Ų127.483%0.82780%0.796SS**  trans72.3114.8137.8-59.8178.1105.200120.8
195H33.7Very low32.4Very low188 Ų188126.7 Ų126.787%0.8780%0.804SS**  trans49.3124.1134.9-63.7-81.1000122.3
196G31.4Very low32.7Very low74 Ų74125.8 Ų125.876%0.76380%0.801SS**  141.7107.813000000118
197E27.3Very low33.5Very low208 Ų208121.8 Ų121.897%0.97280%0.803SS**  trans58.6166.3157.8-89.4174.19300120.8
198A39.8Very low34Very low87 Ų87121.5 Ų121.572%0.71980%0.797SS**  trans-140.7145.4174.200000107.1
199P40.7Very low34.7Very low125 Ų125125.1 Ų125.181%0.81280%0.801SS**  -145.1169.178.439.2-22.9000116.1
200E33.8Very low35.7Very low162 Ų162124.3 Ų124.376%0.75780%0.797SS**  trans-50.9152.9156.4-82.5-76.4138.800111.6A202E200-A202 PolarHBondContact OE2-N 2.73Å
201P45.2Very low36.7Very low119 Ų119128.7 Ų128.777%0.77380%0.796SS**  cis-146.6169.938.542.7-23.7000120.4
202A30.4Very low37.7Very low78 Ų78130.6 Ų130.665%0.64580%0.795SS**  trans102.2146.413800000122.1E200E200-A202 PolarHBondContact OE2-N 2.73Å
203S31.1Very low38.5Very low121 Ų121135.5 Ų135.585%0.84679%0.793SS**  trans87.427.2147.569.30000124.8
204G30Very low40.1Very low75 Ų75136.6 Ų136.677%0.77378%0.782SS**  trans58.6-157.4146.800000118.2
205P41.3Very low42.3Very low131 Ų131131 Ų13185%0.85176%0.762SS**  cis-105.8-179.6-10.440.9-31.8000113.5
206S37.5Very low44.4Very low96 Ų96127.7 Ų127.767%0.67176%0.755SS**PPolyproline II helixtrans-71.9142.2-178.853.50000114.9
207P41.7Very low46.7Very low131 Ų131129.6 Ų129.685%0.85175%0.751SS**PPolyproline II helixtrans-67.1140.9156.731-33000110.1
208T35.8Very low49.5Very low126 Ų126124.8 Ų124.877%0.77373%0.729SS**PPolyproline II helixtrans-88.6157.3-175.748.40000113.1E210T208-E210 PolarHBondContact O-N 2.77Å
209E45.4Very low51.7Low193 Ų193125.3 Ų125.390%0.90272%0.718SS**PPolyproline II helixtrans-50.5126174.2-59.8167.7138.400112.1E211E209-E211 PolarHBondContact O-N 2.85Å
210E46.2Very low53.9Low172 Ų172123.2 Ų123.280%0.80470%0.703SS**  trans-78.8105.2171.5-66.6-166.5147.600110T208 Q212T208-E210 PolarHBondContact O-N 2.77Å; E210-Q212 VanDerWaalsContact C-N 3.27Å; E210-Q212 PolarHBondContact O-N 3.06Å
211E46.8Very low56.3Low172 Ų172117.9 Ų117.980%0.80469%0.686SS**  trans-63.589.1164.8-74.9-170.9137.600109.6E209 K213E209-E211 PolarHBondContact O-N 2.85Å; E211-K213 PolarHBondContact O-N 3.12Å
212Q57.1Low58Low157 Ų157117.2 Ų117.273%0.73467%0.671SS**  trans-60.6107.2171.7-73.8-175-18.100109.5E210 I214E210-Q212 VanDerWaalsContact C-N 3.27Å; E210-Q212 PolarHBondContact O-N 3.06Å; Q212-I214 PolarHBondContact O-N 3.23Å
213K49.5Very low60.6Low186 Ų186118.5 Ų118.581%0.80967%0.667SS**  trans-79.672.5179.2-70.1163.6-169.6159.70109.7E211 S215E211-K213 PolarHBondContact O-N 3.12Å; K213-S215 PolarHBondContact O-N 2.95Å; K213-S215 VanDerWaalsContact O-N 3.11Å
214I62.8Low63.2Low91 Ų91119 Ų11947%0.46766%0.656SS.*  trans-47.6118.3177.4-63.3162.4000108.8Q212 E218 M219Q212-I214 PolarHBondContact O-N 3.23Å; I214-E218 WeakPolarHBondContact CA-OE2 3.49Å; I214-E218 HydrophobicContact CG2-CB 4.15Å; I214-E218 HydrophobicContact CG2-CG 4.1Å; I214-M219 HydrophobicContact CG2-CB 4.06Å; I214-M219 HydrophobicContact CG2-CE 4.25Å; I214-M219 HydrophobicContact CG2-SD 4.41Å
215S80.1Confident65.6Low59 Ų59120.6 Ų120.641%0.41364%0.643SS.*  trans-66.1154.2-179.1178.80000110.8K213 V217 E218 M219K213-S215 PolarHBondContact O-N 2.95Å; K213-S215 VanDerWaalsContact O-N 3.11Å; S215-V217 PolarHBondContact O-N 3.47Å; S215-V217 PolarHBondContact OG-N 3.27Å; S215-E218 PolarHBondContact N-OE2 3.01Å; S215-E218 WeakPolarHBondContact O-CB 3.49Å; S215-E218 PolarHBondContact O-N 3.11Å; S215-M219 WeakPolarHBondContact O-CB 3.45Å; S215-M219 PolarHBondContact O-N 3.38Å
216V78.4Confident67.2Low119 Ų119121 Ų12172%0.72163%0.627SS**Hα-helixtrans-58.9-36.9173.7179.50000110.8E218 V220V216-E218 VanDerWaalsContact C-N 3.34Å; V216-V220 WeakPolarHBondContact O-CB 3.49Å; V216-V220 VanDerWaalsContact O-CG2 3.27Å; V216-V220 WeakPolarHBondContact O-CG2 3.42Å; V216-V220 PolarHBondContact O-N 3.47Å
217V80.5Confident68.6Low113 Ų113120.9 Ų120.969%0.68562%0.623SS**Hα-helixtrans-65.3-38.8175.6179.70000111.5S215 V220 A221S215-V217 PolarHBondContact O-N 3.47Å; S215-V217 PolarHBondContact OG-N 3.27Å; V217-V220 PolarHBondContact O-N 2.88Å; V217-A221 WeakPolarHBondContact O-CB 3.44Å; V217-A221 PolarHBondContact O-N 2.9Å
218E84.8Confident69.7Low108 Ų108118.3 Ų118.351%0.50561%0.608SS.*Hα-helixtrans-74.4-38.2-178.8-173.5176.2-151.100111.6I214 S215 V216 A221 F222I214-E218 WeakPolarHBondContact CA-OE2 3.49Å; I214-E218 HydrophobicContact CG2-CB 4.15Å; I214-E218 HydrophobicContact CG2-CG 4.1Å; S215-E218 PolarHBondContact N-OE2 3.01Å; S215-E218 WeakPolarHBondContact O-CB 3.49Å; S215-E218 PolarHBondContact O-N 3.11Å; V216-E218 VanDerWaalsContact C-N 3.34Å; E218-A221 PolarHBondContact O-N 2.89Å; E218-F222 VanDerWaalsContact O-CB 3.25Å; E218-F222 WeakPolarHBondContact O-CB 3.44Å; E218-F222 PolarHBondContact O-N 3.41Å
219M86.3Confident71.1Confident98 Ų98117.9 Ų117.948%0.48360%0.597SS.*Hα-helixtrans-62.3-42.4170-169.89567.100111.5I214 S215 L223I214-M219 HydrophobicContact CG2-CB 4.06Å; I214-M219 HydrophobicContact CG2-CE 4.25Å; I214-M219 HydrophobicContact CG2-SD 4.41Å; S215-M219 WeakPolarHBondContact O-CB 3.45Å; S215-M219 PolarHBondContact O-N 3.38Å; M219-L223 VanDerWaalsContact O-CG 3.29Å; M219-L223 WeakPolarHBondContact O-CG 3.27Å; M219-L223 PolarHBondContact O-N 2.87Å
220V87.5Confident71.5Confident81 Ų81115.6 Ų115.649%0.49159%0.59SS.*Hα-helixtrans-66.1-47.9175.41680000110.6V216 V217 F222 L223 E224V216-V220 WeakPolarHBondContact O-CB 3.49Å; V216-V220 VanDerWaalsContact O-CG2 3.27Å; V216-V220 WeakPolarHBondContact O-CG2 3.42Å; V216-V220 PolarHBondContact O-N 3.47Å; V217-V220 PolarHBondContact O-N 2.88Å; V220-F222 VanDerWaalsContact C-N 3.31Å; V220-F222 PolarHBondContact O-N 2.9Å; V220-L223 PolarHBondContact O-N 3.44Å; V220-L223 VanDerWaalsContact O-N 3.15Å; V220-E224 WeakPolarHBondContact O-CB 3.46Å; V220-E224 PolarHBondContact O-N 3.45Å
221A84.2Confident71.6Confident49 Ų49112.5 Ų112.541%0.40558%0.576SS.*Hα-helixtrans-59.5-40176.400000112.2V217 E218 E224 Q225V217-A221 WeakPolarHBondContact O-CB 3.44Å; V217-A221 PolarHBondContact O-N 2.9Å; E218-A221 PolarHBondContact O-N 2.89Å; A221-E224 PolarHBondContact O-N 3Å; A221-Q225 WeakPolarHBondContact O-CB 3.33Å; A221-Q225 PolarHBondContact O-N 2.91Å
222F80.7Confident71.5Confident105 Ų105108.8 Ų108.846%0.46157%0.567SS.*Hα-helixtrans-66.6-36.2176.1-175.2-100.2000112.8E218 V220 R226E218-F222 VanDerWaalsContact O-CB 3.25Å; E218-F222 WeakPolarHBondContact O-CB 3.44Å; E218-F222 PolarHBondContact O-N 3.41Å; V220-F222 VanDerWaalsContact C-N 3.31Å; V220-F222 PolarHBondContact O-N 2.9Å; F222-R226 VanDerWaalsContact CZ-NE 3.34Å; F222-R226 WeakPolarHBondContact O-CB 3.34Å; F222-R226 WeakPolarHBondContact O-CG 3.43Å; F222-R226 PolarHBondContact O-N 3.14Å
223L85.8Confident70.7Confident106 Ų106108.9 Ų108.956%0.55557%0.572SS**Hα-helixtrans-70.8-42.2173.6-72.5169.3000111.8M219 V220 R226 V227M219-L223 VanDerWaalsContact O-CG 3.29Å; M219-L223 WeakPolarHBondContact O-CG 3.27Å; M219-L223 PolarHBondContact O-N 2.87Å; V220-L223 PolarHBondContact O-N 3.44Å; V220-L223 VanDerWaalsContact O-N 3.15Å; L223-R226 PolarHBondContact O-N 2.82Å; L223-V227 WeakPolarHBondContact O-CG2 3.43Å; L223-V227 PolarHBondContact O-N 3.29Å
224E85.1Confident70.4Confident132 Ų132106.8 Ų106.862%0.61757%0.569SS**Hα-helixtrans-67.2-40.3177.4-174168.2-156.500112.2V220 A221 V227 S228V220-E224 WeakPolarHBondContact O-CB 3.46Å; V220-E224 PolarHBondContact O-N 3.45Å; A221-E224 PolarHBondContact O-N 3Å; E224-V227 PolarHBondContact O-N 2.82Å; E224-S228 WeakPolarHBondContact O-CB 3.4Å; E224-S228 PolarHBondContact O-N 3.06Å; E224-S228 PolarHBondContact O-OG 3.21Å
225Q80.5Confident69.1Low108 Ų108111.7 Ų111.751%0.50559%0.587SS.*Hα-helixtrans-61.3-47170179.3173.3-12.800110.8A221 V227 S228 E229A221-Q225 WeakPolarHBondContact O-CB 3.33Å; A221-Q225 PolarHBondContact O-N 2.91Å; Q225-V227 VanDerWaalsContact C-N 3.33Å; Q225-V227 PolarHBondContact O-N 3.49Å; Q225-S228 CarbonylContact O-C 3.34Å; Q225-S228 WeakPolarHBondContact O-CA 3.47Å; Q225-S228 WeakPolarHBondContact O-CB 3.46Å; Q225-S228 PolarHBondContact O-N 2.89Å; Q225-S228 VanDerWaalsContact O-N 3.08Å; Q225-E229 HydrophobicContact CG-CG 4.3Å; Q225-E229 WeakPolarHBondContact CG-OE1 3.38Å; Q225-E229 PolarHBondContact NE2-OE1 3.06Å; Q225-E229 WeakPolarHBondContact O-CB 3.44Å; Q225-E229 WeakPolarHBondContact O-CG 3.25Å; Q225-E229 PolarHBondContact O-N 2.94Å
226R73.6Confident67.6Low139 Ų139114.9 Ų114.953%0.52561%0.606SS.*Hα-helixtrans-64.3-33.4176-81.8-173.1168.3-162.5-1.8113.8F222 L223 S228 L230F222-R226 VanDerWaalsContact CZ-NE 3.34Å; F222-R226 WeakPolarHBondContact O-CB 3.34Å; F222-R226 WeakPolarHBondContact O-CG 3.43Å; F222-R226 PolarHBondContact O-N 3.14Å; L223-R226 PolarHBondContact O-N 2.82Å; R226-S228 VanDerWaalsContact C-N 3.3Å; R226-L230 WeakPolarHBondContact O-CB 3.44Å; R226-L230 WeakPolarHBondContact O-CD1 3.23Å; R226-L230 VanDerWaalsContact O-CG 3.24Å; R226-L230 WeakPolarHBondContact O-CG 3.3Å; R226-L230 PolarHBondContact O-N 3.47Å
227V67.9Low65.4Low94 Ų94116.3 Ų116.357%0.5761%0.609SS**Hα-helixtrans-66.9-35.5172.6167.60000110.9L223 E224 Q225 L230 Q231L223-V227 WeakPolarHBondContact O-CG2 3.43Å; L223-V227 PolarHBondContact O-N 3.29Å; E224-V227 PolarHBondContact O-N 2.82Å; Q225-V227 VanDerWaalsContact C-N 3.33Å; Q225-V227 PolarHBondContact O-N 3.49Å; V227-L230 PolarHBondContact O-N 2.73Å; V227-Q231 WeakPolarHBondContact O-CB 3.38Å; V227-Q231 WeakPolarHBondContact O-CG 3.3Å; V227-Q231 PolarHBondContact O-N 3.35Å
228S65.6Low63.5Low77 Ų77119.8 Ų119.854%0.53862%0.622SS.*Hα-helixtrans-72.4-40.2175.4-61.20000112.5E224 Q225 R226 L230 Q231E224-S228 WeakPolarHBondContact O-CB 3.4Å; E224-S228 PolarHBondContact O-N 3.06Å; E224-S228 PolarHBondContact O-OG 3.21Å; Q225-S228 CarbonylContact O-C 3.34Å; Q225-S228 WeakPolarHBondContact O-CA 3.47Å; Q225-S228 WeakPolarHBondContact O-CB 3.46Å; Q225-S228 PolarHBondContact O-N 2.89Å; Q225-S228 VanDerWaalsContact O-N 3.08Å; R226-S228 VanDerWaalsContact C-N 3.3Å; S228-L230 PolarHBondContact O-N 2.81Å; S228-Q231 CarbonylContact O-C 3.28Å; S228-Q231 WeakPolarHBondContact O-CA 3.18Å; S228-Q231 PolarHBondContact O-N 3.48Å
229E63.3Low60.9Low116 Ų116118.9 Ų118.954%0.54263%0.628SS.*Hα-helixtrans-70.9-16.4173.1-70.9173.2-179.500113.4Q225 P232Q225-E229 HydrophobicContact CG-CG 4.3Å; Q225-E229 WeakPolarHBondContact CG-OE1 3.38Å; Q225-E229 PolarHBondContact NE2-OE1 3.06Å; Q225-E229 WeakPolarHBondContact O-CB 3.44Å; Q225-E229 WeakPolarHBondContact O-CG 3.25Å; Q225-E229 PolarHBondContact O-N 2.94Å; E229-P232 WeakPolarHBondContact O-CD 3.29Å; E229-P232 WeakPolarHBondContact O-CG 3.4Å
230L54.3Low58.7Low145 Ų145122.7 Ų122.776%0.75965%0.65SS**THydrogen-bonded Turntrans-91.4-4.8166.7-73.1167000113.4R226 V227 S228R226-L230 WeakPolarHBondContact O-CB 3.44Å; R226-L230 WeakPolarHBondContact O-CD1 3.23Å; R226-L230 VanDerWaalsContact O-CG 3.24Å; R226-L230 WeakPolarHBondContact O-CG 3.3Å; R226-L230 PolarHBondContact O-N 3.47Å; V227-L230 PolarHBondContact O-N 2.73Å; S228-L230 PolarHBondContact O-N 2.81Å
231Q47.9Very low56.1Low108 Ų108125.7 Ų125.751%0.50566%0.658SS.*  trans-109.925.7174.5-77.1-71.9-7.400116.7V227 S228 N233V227-Q231 WeakPolarHBondContact O-CB 3.38Å; V227-Q231 WeakPolarHBondContact O-CG 3.3Å; V227-Q231 PolarHBondContact O-N 3.35Å; S228-Q231 CarbonylContact O-C 3.28Å; S228-Q231 WeakPolarHBondContact O-CA 3.18Å; S228-Q231 PolarHBondContact O-N 3.48Å; Q231-N233 PolarHBondContact O-N 3.13Å
232P45.6Very low53.6Low94 Ų94133.2 Ų133.261%0.6168%0.676SS**THydrogen-bonded Turntrans-79.457.7-178.437.1-38.3000112E229E229-P232 WeakPolarHBondContact O-CD 3.29Å; E229-P232 WeakPolarHBondContact O-CG 3.4Å
233N39.3Very low51.4Low158 Ų158133.5 Ų133.585%0.84569%0.691SS**THydrogen-bonded Turntrans-164.76.9160.7-100.8-40.2000116.1Q231Q231-N233 PolarHBondContact O-N 3.13Å
234L43.2Very low48.9Very low142 Ų142134.4 Ų134.474%0.74371%0.707SS**  trans-112.966.4174.1-69-179.2000112.6
235K35.6Very low46.4Very low195 Ų195134.5 Ų134.585%0.84872%0.716SS**  trans-78.9131.2162.6-75.9-175.9176.8178.20109.8L237K235-L237 PolarHBondContact O-N 3.1Å
236P49.7Very low44Very low125 Ų125135 Ų13581%0.81273%0.726SS**  trans-77.2111.3179.230.2-33.2000110.8
237L31.2Very low42.2Very low149 Ų149136.5 Ų136.578%0.7874%0.743SS**  trans-121.9100.1166.2-79.4-177.5000111.7K235 S239K235-L237 PolarHBondContact O-N 3.1Å; L237-S239 VanDerWaalsContact C-N 3.25Å; L237-S239 PolarHBondContact O-N 2.95Å
238L40.5Very low40.6Very low186 Ų186137.3 Ų137.397%0.97475%0.748SS**  trans-72.182158.5-69.2172.9000109.2
239S31.1Very low38.8Very low90 Ų90141.6 Ų141.663%0.62976%0.764SS**  trans-132.554.5172.365.70000111.2L237 Q241L237-S239 VanDerWaalsContact C-N 3.25Å; L237-S239 PolarHBondContact O-N 2.95Å; S239-Q241 VanDerWaalsContact C-N 3.28Å; S239-Q241 PolarHBondContact O-N 2.79Å
240L39.3Very low37.2Very low177 Ų177141 Ų14193%0.92777%0.774SS**  trans-77.574.7179.3-161157.9000110.2
241Q33.3Very low36Very low145 Ų145145.8 Ų145.868%0.67878%0.781SS**  trans-152.9126.8172.4-139.6-171.42900113.6S239S239-Q241 VanDerWaalsContact C-N 3.28Å; S239-Q241 PolarHBondContact O-N 2.79Å
242R32.6Very low35Very low207 Ų207147.5 Ų147.578%0.78179%0.794SS**  trans67131.1176-53.3-179.4174.988.20.3113.5
243S33Very low34.6Very low110 Ų110149.2 Ų149.277%0.76981%0.805SS**  cis-138.8144.517.2-65.30000112.8
244S33.3Very low34.2Very low126 Ų126152 Ų15288%0.88180%0.804SS**  trans-132.2125.3157.6-58.50000107.9
245T33Very low33.8Very low133 Ų133150.5 Ų150.582%0.81680%0.803SS**  trans-84.3116.2-177.745.50000111.1
246T30.7Very low33.8Very low118 Ų118149.9 Ų149.972%0.72480%0.803SS**  trans56.3103.3143.6-45.10000118.5
247I36.1Very low33.1Very low172 Ų172151.9 Ų151.988%0.88281%0.805SS**  -149.2156.8123.5-93.6140.8000106.7
248T34.3Very low33.2Very low110 Ų110154.2 Ų154.268%0.67581%0.809SS**  trans-106.9169.1-155.3470000115.3
249L28.5Very low33Very low167 Ų167155 Ų15587%0.87481%0.807SS**  trans77.5139.2169.8-46.2-178.9000115.5
250S28.5Very low33.1Very low105 Ų105154 Ų15473%0.73481%0.811SS**  cis-163144.2-10.252.90000113.6
251R29Very low33.1Very low244 Ų244153.6 Ų153.692%0.92181%0.81SS**  trans58.8105.5148.1-155.3169.6-166.9152.73120.3
252N28.2Very low33Very low145 Ų145155.1 Ų155.178%0.77582%0.818SS**  trans-57.5157.6161-98.522.8000113.3
253P37.3Very low33.4Very low130 Ų130149.8 Ų149.884%0.84481%0.809SS**  -139175.866.439.3-21.4000117.8
254R29.9Very low34Very low215 Ų215152 Ų15281%0.81181%0.813SS**  trans-115.6140.5-172.1179.8-162.3-158.9-172.27.4109.6
255P34Very low34.5Very low112 Ų112153 Ų15373%0.72781%0.807SS**  trans-93.9147.9162.334.7-30000111.7
256E36.5Very low35.8Very low182 Ų182151.5 Ų151.585%0.8580%0.797SS**  trans-94.2136.5171.1-60.7167128.200109.5
257I35.7Very low37.7Very low167 Ų167152.9 Ų152.986%0.85679%0.789SS**  trans-133.6144.1165.6-61.2-175.4000108.3
258K32.1Very low38.9Very low198 Ų198149.4 Ų149.486%0.86178%0.776SS**  trans-78.4166.2-159.1-57175.6-180-179.50114
259E37.1Very low40.1Very low201 Ų201148.6 Ų148.694%0.93978%0.775SS**  trans-59.3149161.3-63.1162121.800111.5
260G32.4Very low42.3Very low69 Ų69144.8 Ų144.871%0.71175%0.752SS**  trans169.3111.7175.300000112.1
261D39.5Very low44.4Very low169 Ų169145 Ų14590%0.90474%0.743SS**  trans40.7109.7164.5-56-16.9000120.6
262E32.1Very low46.5Very low178 Ų178136.5 Ų136.583%0.83272%0.718SS**  trans-133148.2148.9-118-95.9120.500106.8
263P40.9Very low48.6Very low94 Ų94132 Ų13261%0.6170%0.701SS**  trans-85.9164.2-154.433.7-34.9000115I265P263-I265 PolarHBondContact O-N 2.97Å
264D45Very low50.2Low157 Ų157132.4 Ų132.484%0.8469%0.69SS**  trans-55.896.5-179.6-87.3-47.9000113.7V266D264-V266 HydrophobicContact CB-CG2 4.21Å; D264-V266 PolarHBondContact O-N 3.34Å
265I43.7Very low52.2Low146 Ų146128 Ų12875%0.74968%0.682SS**  trans-73.980.2161.5-55178.7000107.7P263 R267P263-I265 PolarHBondContact O-N 2.97Å; I265-R267 PolarHBondContact O-N 3.41Å
266V59.8Low53.8Low103 Ų103129.7 Ų129.762%0.62468%0.68SS**  trans-56.5103.8177.4179.80000109.2D264 V268D264-V266 HydrophobicContact CB-CG2 4.21Å; D264-V266 PolarHBondContact O-N 3.34Å; V266-V268 PolarHBondContact O-N 3Å; V266-V268 VanDerWaalsContact O-N 3.14Å
267R70.6Confident55Low146 Ų146125.8 Ų125.855%0.55167%0.672SS**  trans-62.8119.1-175.5-52.8-172-41.3-55.3-7.7109.2I265 S269 E270I265-R267 PolarHBondContact O-N 3.41Å; R267-S269 PolarHBondContact O-N 2.85Å; R267-E270 IonicContact CZ-OE2 3.21Å; R267-E270 IonicContact NH1-OE2 2.73Å; R267-E270 PolarHBondContact NH1-OE2 3.05Å; R267-E270 IonicContact NH2-OE2 3.06Å; R267-E270 PolarHBondContact NH2-OE2 3.36Å; R267-E270 WeakPolarHBondContact O-CB 3.32Å; R267-E270 PolarHBondContact O-N 3.15Å
268V62.6Low55.7Low100 Ų100126.2 Ų126.261%0.60667%0.668SS**Hα-helixtrans-51.4-37.3-178.1-179.90000112V266 E270 M271 V272V266-V268 PolarHBondContact O-N 3Å; V266-V268 VanDerWaalsContact O-N 3.14Å; V268-E270 PolarHBondContact O-N 3.37Å; V268-M271 PolarHBondContact O-N 2.67Å; V268-M271 VanDerWaalsContact O-N 3.12Å; V268-V272 HydrophobicContact CG1-CG2 4.32Å; V268-V272 WeakPolarHBondContact O-CG2 3.34Å; V268-V272 PolarHBondContact O-N 3.39Å
269S58.6Low56.1Low92 Ų92121.7 Ų121.764%0.64366%0.66SS**Hα-helixtrans-54.3-35.3175.1-40.60000113.9R267 A273R267-S269 PolarHBondContact O-N 2.85Å; S269-A273 WeakPolarHBondContact O-CB 3.48Å; S269-A273 PolarHBondContact O-N 3.47Å
270E74.6Confident56.2Low87 Ų87117.5 Ų117.541%0.40765%0.65SS.*Hα-helixtrans-77.3-34.3179.5-164.6173.6129.700111.9R267 V268 A273 K274R267-E270 IonicContact CZ-OE2 3.21Å; R267-E270 IonicContact NH1-OE2 2.73Å; R267-E270 PolarHBondContact NH1-OE2 3.05Å; R267-E270 IonicContact NH2-OE2 3.06Å; R267-E270 PolarHBondContact NH2-OE2 3.36Å; R267-E270 WeakPolarHBondContact O-CB 3.32Å; R267-E270 PolarHBondContact O-N 3.15Å; V268-E270 PolarHBondContact O-N 3.37Å; E270-A273 PolarHBondContact O-N 2.84Å; E270-K274 WeakPolarHBondContact O-CB 3.34Å; E270-K274 PolarHBondContact O-N 2.76Å
271M73.8Confident56.8Low110 Ų110126.2 Ų126.254%0.54266%0.661SS.*Hα-helixtrans-68.4-38.9172.7-172.6168.765.400111.6V268 K274 L275V268-M271 PolarHBondContact O-N 2.67Å; V268-M271 VanDerWaalsContact O-N 3.12Å; M271-K274 WeakPolarHBondContact O-CB 3.3Å; M271-K274 PolarHBondContact O-N 2.98Å; M271-L275 WeakPolarHBondContact O-CG 3.5Å; M271-L275 PolarHBondContact O-N 3.03Å; M271-L275 VanDerWaalsContact O-N 3.14Å
272V72.1Confident56.5Low65 Ų65123.7 Ų123.739%0.39466%0.657SS.*Hα-helixtrans-61.5-49.6172.4172.50000110.6V268 K274 L275 E276V268-V272 HydrophobicContact CG1-CG2 4.32Å; V268-V272 WeakPolarHBondContact O-CG2 3.34Å; V268-V272 PolarHBondContact O-N 3.39Å; V272-K274 VanDerWaalsContact C-N 3.25Å; V272-K274 PolarHBondContact O-N 2.91Å; V272-L275 WeakPolarHBondContact O-CB 3.43Å; V272-L275 PolarHBondContact O-N 2.89Å; V272-E276 HydrophobicContact CG1-CG 4.4Å; V272-E276 PolarHBondContact O-N 3.19Å
273A72.3Confident56.7Low50 Ų50119.8 Ų119.841%0.41365%0.65SS.*Hα-helixtrans-58.3-36175.600000112.8S269 E270 L275 S277S269-A273 WeakPolarHBondContact O-CB 3.48Å; S269-A273 PolarHBondContact O-N 3.47Å; E270-A273 PolarHBondContact O-N 2.84Å; A273-L275 VanDerWaalsContact C-N 3.3Å; A273-L275 PolarHBondContact O-N 3.37Å; A273-S277 VanDerWaalsContact O-CB 3.23Å; A273-S277 WeakPolarHBondContact O-CB 3.42Å; A273-S277 PolarHBondContact O-N 2.86Å; A273-S277 VanDerWaalsContact O-N 3.08Å; A273-S277 PolarHBondContact O-OG 3.41Å
274K70.8Confident56.3Low140 Ų140123.4 Ų123.461%0.60966%0.658SS**Hα-helixtrans-68.9-20.4174.1-112.1167-178.2158.10114.7E270 M271 V272E270-K274 WeakPolarHBondContact O-CB 3.34Å; E270-K274 PolarHBondContact O-N 2.76Å; M271-K274 WeakPolarHBondContact O-CB 3.3Å; M271-K274 PolarHBondContact O-N 2.98Å; V272-K274 VanDerWaalsContact C-N 3.25Å; V272-K274 PolarHBondContact O-N 2.91Å
275L71.2Confident55.8Low123 Ų123121.2 Ų121.264%0.64465%0.651SS**Hα-helixtrans-88-48.2174.8-73.4165.8000111M271 V272 A273 S277 K278M271-L275 WeakPolarHBondContact O-CG 3.5Å; M271-L275 PolarHBondContact O-N 3.03Å; M271-L275 VanDerWaalsContact O-N 3.14Å; V272-L275 WeakPolarHBondContact O-CB 3.43Å; V272-L275 PolarHBondContact O-N 2.89Å; A273-L275 VanDerWaalsContact C-N 3.3Å; A273-L275 PolarHBondContact O-N 3.37Å; L275-S277 PolarHBondContact O-N 3.18Å; L275-K278 PolarHBondContact O-N 3.38Å; L275-K278 VanDerWaalsContact O-N 3.1Å
276E69.3Low55.1Low147 Ų147118.9 Ų118.969%0.68765%0.647SS**Hα-helixtrans-62.5-41.5179.7-66.4-177.3149.700112.1V272 K278 C279V272-E276 HydrophobicContact CG1-CG 4.4Å; V272-E276 PolarHBondContact O-N 3.19Å; E276-K278 PolarHBondContact O-N 2.83Å; E276-K278 VanDerWaalsContact O-N 3.12Å; E276-C279 PolarHBondContact O-N 3.36Å
277S60Low53.9Low99 Ų99121.6 Ų121.669%0.69266%0.658SS**THydrogen-bonded Turntrans-66.2-8.4175.857.20000114.9A273 L275A273-S277 VanDerWaalsContact O-CB 3.23Å; A273-S277 WeakPolarHBondContact O-CB 3.42Å; A273-S277 PolarHBondContact O-N 2.86Å; A273-S277 VanDerWaalsContact O-N 3.08Å; A273-S277 PolarHBondContact O-OG 3.41Å; L275-S277 PolarHBondContact O-N 3.18Å
278K52Low52Low177 Ų177120 Ų12077%0.7767%0.668SS**THydrogen-bonded Turntrans-111.85-174.2-152.8164.6-173.7174.60114.1L275 E276 P280L275-K278 PolarHBondContact O-N 3.38Å; L275-K278 VanDerWaalsContact O-N 3.1Å; E276-K278 PolarHBondContact O-N 2.83Å; E276-K278 VanDerWaalsContact O-N 3.12Å; K278-P280 WeakPolarHBondContact O-CD 3.31Å
279C40Very low50.7Low102 Ų102126.8 Ų126.869%0.68968%0.683SS**  trans-87.8112.4177.4-163.80000111.2E276E276-C279 PolarHBondContact O-N 3.36Å
280P38.5Very low49.4Very low113 Ų113127.7 Ų127.773%0.73469%0.69SS**  trans-71.5135.5177.929.7-33.9000110.9K278 S282K278-P280 WeakPolarHBondContact O-CD 3.31Å; P280-S282 PolarHBondContact O-N 3.5Å; P280-S282 VanDerWaalsContact O-N 3.12Å
281R45.1Very low47.4Very low252 Ų252132.2 Ų132.295%0.95172%0.717SS**  trans-66.3109.7173.4-71.8178.8175150.2-1.8110.1
282S32.6Very low45.6Very low116 Ų116131.7 Ų131.781%0.81172%0.724SS**  trans-88.1110.2161.5-162.40000109.8P280P280-S282 PolarHBondContact O-N 3.5Å; P280-S282 VanDerWaalsContact O-N 3.12Å
283S36.3Very low43.9Very low97 Ų97136.4 Ų136.468%0.67875%0.746SS**  trans-51.1160.3145.545.60000110.8
284E34.1Very low42.5Very low170 Ų170142.4 Ų142.479%0.79476%0.763SS**  cis-178.2-176.7-19.3-164.8174.4-152.900105.2
285T33.6Very low41.4Very low111 Ų111145.9 Ų145.968%0.68177%0.772SS**  trans70.991.3148.8-57.10000118.8
286S29.1Very low39.8Very low96 Ų96147 Ų14767%0.67178%0.784SS**  115.5152.3116.676.80000121.2
287L34.8Very low38.2Very low161 Ų161147.5 Ų147.584%0.84380%0.797SS**  trans70.4139.2169.3-48.2-175.2000116.2
288S30.7Very low36.9Very low111 Ų111145.9 Ų145.978%0.77680%0.796SS**  cis-146.1162.8-3.1-165.10000112.3
289R34.8Very low36.4Very low243 Ų243149.6 Ų149.692%0.91781%0.805SS**  trans-96.9115.6178.2-71.1175.3170.5176.2-3.6111.7
290S32.5Very low36.2Very low112 Ų112151.6 Ų151.678%0.78381%0.814SS**  trans-168.175.9159.253.90000114.2
291N31.7Very low36.2Very low181 Ų181154.1 Ų154.197%0.96882%0.82SS**  trans-93105.8160.7-96.8-44.4000109
292S35.2Very low35.9Very low100 Ų100150.1 Ų150.170%0.69982%0.817SS**  trans-105147.1-177.1-169.50000112.5
293L37.4Very low36Very low163 Ų163151.7 Ų151.785%0.85382%0.822SS**  trans52.696.9163.8-76.7160.4000118.4
294K43.3Very low35.9Very low176 Ų176152.2 Ų152.277%0.76583%0.832SS**  trans-71.1139.9154.2-79.6179.9178.5173.50110.8
295R47.3Very low35.8Very low214 Ų214147.9 Ų147.981%0.80883%0.833SS**  trans59.7117.5148.5-60.8164.5179.2171-4.2119.2
296T37.2Very low35.8Very low145 Ų145151.4 Ų151.489%0.8984%0.842SS**  trans-152.895.2133.813.60000111G298T296-G298 PolarHBondContact O-N 3.29Å
297V35.1Very low36Very low158 Ų158156.5 Ų156.596%0.95885%0.852SS**  trans-95.983.1163.7-179.70000107.6
298G34.5Very low35.8Very low66 Ų66153.3 Ų153.368%0.6884%0.843SS**  trans-100.4124176.800000111.4T296T296-G298 PolarHBondContact O-N 3.29Å
299R41Very low35.7Very low255 Ų255158.1 Ų158.196%0.96285%0.851SS**  trans-78117.8166-77.2173.4163.3162.6-7.2109.3
300V35.3Very low35.3Very low144 Ų144151 Ų15187%0.87384%0.838SS**  trans-135.4149.8161.4-175.70000108.9
301L39.2Very low35.2Very low165 Ų165150.7 Ų150.786%0.86484%0.836SS**  trans-87172.3-173.3-75.8161.5000113.4
302L37.2Very low34.8Very low169 Ų169147.3 Ų147.389%0.88583%0.826SS**  trans-64.6130.8172.4-59.1163.6000112.2
303T36.3Very low34.3Very low148 Ų148153.4 Ų153.491%0.90883%0.833SS**  trans-151.1154.3143.4350000109.5
304A33.4Very low33.8Very low108 Ų108151.8 Ų151.889%0.89383%0.83SS**  trans-101.4148.2179.300000111.5
305G32.5Very low33.3Very low80 Ų80151 Ų15183%0.82583%0.829SS**  trans-151.7120174.200000111.4
306Q33.8Very low32.8Very low185 Ų185146.7 Ų146.786%0.86483%0.829SS**  trans-86.7141.7172.3-63.4174.3-12.100110.4
307K32.1Very low32.7Very low202 Ų202146.3 Ų146.388%0.87882%0.817SS**  -175.6158.6120.3-100.1160.3-175.1178.70113
308S30.9Very low33.1Very low95 Ų95144.3 Ų144.366%0.66481%0.808SS**  trans-77.6166.7-176.2-38.10000112.9
309F28.6Very low33.1Very low211 Ų211148.7 Ų148.793%0.92581%0.81SS**  -171.2178.2103.7-94.3-60.1000112.8
310S27.3Very low33.4Very low93 Ų93141.5 Ų141.565%0.6580%0.797SS**  trans-108.6155.4-151.9171.50000114.7
311S28.8Very low33Very low107 Ų107139.6 Ų139.675%0.74879%0.79SS**  trans65.7166.9150.757.40000117.1
312C24.4Very low32.6Very low110 Ų110138.1 Ų138.174%0.74379%0.793SS**  cis-144.8-171.37.5-149.20000113.6
313W24Very low32Very low227 Ų227133.2 Ų133.286%0.8678%0.784SS**  trans-51.1169.3178.4-73.341.6000114.1
314T26.7Very low32.9Very low129 Ų129132.2 Ų132.279%0.79178%0.78SS**  -168.7148.859.2-41.80000113.5
315Q33.4Very low33.9Very low160 Ų160131.9 Ų131.975%0.74877%0.769SS**  trans-90.1163.1166.6-151-1721.600109.6
316P38Very low33.9Very low124 Ų124136.1 Ų136.181%0.80577%0.767SS**  -149.9169.597.937.6-20.7000115.3
317Q33.2Very low33.6Very low137 Ų137132.5 Ų132.564%0.6476%0.758SS**  trans-121.9163.1156.8-153.7-151.411.200108.7
318P44Very low33.5Very low116 Ų116130.6 Ų130.675%0.75376%0.756SS**  -141.5170.3128.134.5-19.2000115.4
319Q34.3Very low33.4Very low157 Ų157132 Ų13273%0.73476%0.761SS**  trans-102.1-158.6168.2-65.9-161.7-21.100108.8
320P47Very low33.3Very low104 Ų104126.5 Ų126.568%0.67576%0.755SS**  cis-148.5175.74.143.2-21.1000120.8
321S28.8Very low33.3Very low104 Ų104128.6 Ų128.673%0.72776%0.763SS**  trans56129.7141.664.40000123.8
322S29.1Very low33.3Very low134 Ų134134.6 Ų134.694%0.93777%0.769SS**  177.9168.1120.143.20000114
323G25.5Very low33.5Very low67 Ų67134.4 Ų134.469%0.69176%0.764SS**  trans170.5-17117700000108.3
324P54.5Low33.7Very low127 Ų127132.1 Ų132.183%0.82576%0.763SS**  cis-120.5-130.5-15.739.1-18.2000108.7
325P55Low33.9Very low101 Ų101132.6 Ų132.666%0.65676%0.76SS**  cis-131.6-173.9-33.936.1-15.9000115.8
326E31.3Very low34.1Very low168 Ų168130.8 Ų130.879%0.78576%0.762SS**  trans94.2139.3136-99.2176.2-145.800127.2
327T28.5Very low33.6Very low110 Ų110129.9 Ų129.968%0.67575%0.754SS**  trans81.5119145.949.20000126.5
328L29.6Very low33.3Very low161 Ų161131.4 Ų131.484%0.84376%0.761SS**  92158127.8-72.8171000124.2
329T28.4Very low32.5Very low126 Ų126131.9 Ų131.977%0.77376%0.762SS**  trans-118.1144.5-154.148.80000115.7
330A27.4Very low32.4Very low95 Ų95133.7 Ų133.779%0.78577%0.767SS**  trans-165126.3147.800000108.5
331V28Very low32Very low136 Ų136134.6 Ų134.682%0.82477%0.773SS**  83106.750.9175.70000114
332R28Very low32Very low233 Ų233134 Ų13488%0.87978%0.775SS**  trans152.8148.1149.4-90.9-165.5178.6-153.6-2112.1
333V28Very low31.9Very low106 Ų106134.2 Ų134.264%0.64277%0.77SS**  cis-163152.6-20.496.10000112.4
334E28.1Very low32Very low179 Ų179141.6 Ų141.684%0.83678%0.777SS**  trans67.1161.7155.9-78.1176.7125.500126.2
335L32.3Very low30.8Very low140 Ų140140.8 Ų140.873%0.73377%0.769SS**  trans-108.5168.7179.4-126.873.9000109.7V337L335-V337 HydrophobicContact CB-CG2 4.25Å; L335-V337 HydrophobicContact CD2-CG2 3.93Å
336P36.4Very low29.4Very low121 Ų121144.3 Ų144.379%0.78678%0.777SS**  -126.7152.9100.32.219.3000111.9
337V27.7Very low29.4Very low106 Ų106141.4 Ų141.464%0.64278%0.776SS**  cis89.5101.630.2-179.20000114.6L335L335-V337 HydrophobicContact CB-CG2 4.25Å; L335-V337 HydrophobicContact CD2-CG2 3.93Å
338Q27.8Very low30.4Very low168 Ų168141.9 Ų141.979%0.78578%0.78SS**  trans67.9163.2158.4-59.3-72.311.600116.6
339V26.6Very low30.3Very low127 Ų127138 Ų13877%0.7777%0.772SS**  cis-139.3150.121.9173.90000112.2
340K32Very low30.3Very low194 Ų194142.9 Ų142.984%0.84378%0.776SS**  trans-113.8148.4153.8-76.2-172.7178.8-1790110.6
341P39.5Very low30.4Very low124 Ų124144.5 Ų144.581%0.80578%0.776SS**  trans-119.1174.5141.834.4-24.3000112.2
342A27.2Very low30.7Very low91 Ų91145.7 Ų145.775%0.75278%0.777SS**  trans-133-153.2178.600000109.6
343V28Very low31.9Very low138 Ų138139.8 Ų139.884%0.83677%0.769SS**  trans80.2138.4171.6179.30000113.8
344R27.5Very low33.1Very low222 Ų222140.5 Ų140.584%0.83878%0.775SS**  cis-179-178-15.2-175.8-175.1177.1-1770.1107.1
345V28.9Very low33.4Very low110 Ų110138.1 Ų138.167%0.66777%0.773SS**  trans77.7136159.3179.20000115.2
346E26.6Very low34.4Very low175 Ų175137.3 Ų137.382%0.81878%0.777SS**  cis-157.7173.6-14.9-116.4172.4168.200111
347S30.3Very low34Very low108 Ų108136.1 Ų136.176%0.75578%0.777SS**  trans-112.5154.6161.8-49.90000108.8
348P49.4Very low34.2Very low119 Ų119135.6 Ų135.677%0.77378%0.784SS**  -145.3-161.177.737.3-14.8000111.8
349A28.2Very low35.3Very low80 Ų80133 Ų13366%0.66178%0.781SS**  cis-158.9159.517.600000113.9
350W29Very low35.6Very low229 Ų229132.1 Ų132.187%0.86778%0.781SS**  trans5.9155.4149.8-74.1-96.6000121.7
351V28.5Very low35.6Very low129 Ų129130.2 Ų130.278%0.78278%0.775SS**  cis-152148.840.2179.90000113.3
352L35.5Very low35.1Very low160 Ų160132 Ų13284%0.83877%0.772SS**  trans-127.1158153.5-95.3163.3000106.5
353P53Low35.1Very low110 Ų110133.9 Ų133.971%0.71477%0.774SS**  -150.7-145.955.240.8-14.9000111.3
354P52.5Low35.1Very low120 Ų120133 Ų13378%0.77977%0.774SS**  cis-137.9168-5.240.5-20.7000119.9
355T34.1Very low35.1Very low130 Ų130125.9 Ų125.980%0.79877%0.77SS**  trans-90.6172.2167.6-15.80000111.8
356P54Low35Very low123 Ų123129 Ų12980%0.79978%0.777SS**  -146.4-173.784.843.1-25.1000112.8
357A28.3Very low35.1Very low96 Ų96127.8 Ų127.879%0.79377%0.773SS**  cis-148.4174.38.700000112
358A32Very low34.9Very low95 Ų95127.1 Ų127.179%0.78578%0.775SS**  trans-122.6-170.7173.800000110.9
359P50.8Low33.8Very low113 Ų113124.8 Ų124.873%0.73477%0.772SS**  -155.4176.270.242.8-22.4000118.7
360S33.3Very low33.7Very low108 Ų108129.3 Ų129.376%0.75578%0.784SS**  trans70.6145150.9-65.70000121.6
361Q31.1Very low33.5Very low154 Ų154130.2 Ų130.272%0.7279%0.788SS**  cis-166.4140-15.2179.5168.47.100111.7
362E29.3Very low33.5Very low162 Ų162129.3 Ų129.376%0.75779%0.787SS**  trans25158.2151.6-55.9171.7124.500122.6
363V28Very low33.3Very low130 Ų130126.1 Ų126.179%0.78878%0.783SS**  cis-16015232.576.90000115.7
364S27.8Very low32.2Very low120 Ų120130.5 Ų130.584%0.83980%0.795SS**  trans20.3139.9155.3-158.90000124.9
365G27Very low31.3Very low73 Ų73133.3 Ų133.375%0.75380%0.797SS**  trans175.1138.6160.100000114.5
366E26.5Very low31.5Very low174 Ų174135.7 Ų135.781%0.81380%0.799SS**  trans-143.2165.7-168.8-121.7-169.3101.600111
367M27.8Very low31Very low150 Ų150135.4 Ų135.474%0.73980%0.798SS**  cis-157.2149.15.7177.244.3139.700111.4
368A27Very low31.5Very low95 Ų95138.5 Ų138.579%0.78580%0.8SS**  trans60.8152.3168.800000118
369G26.7Very low31.7Very low69 Ų69140.1 Ų140.171%0.71180%0.802SS**  cis178.2-177.7-5.200000113.3
370L26.8Very low31.4Very low175 Ų175138.1 Ų138.192%0.91680%0.802SS**  trans65.6122.7176.8-102.675000119.6
371W24Very low31.9Very low249 Ų249141 Ų14194%0.94381%0.808SS**  trans-92.6141.5150.3-68.4-41.8000110.5
372S28.5Very low32.4Very low109 Ų109140.5 Ų140.576%0.76281%0.81SS**  trans-171.3115.8141.6-77.90000106.7
373A30.2Very low33Very low93 Ų93142.5 Ų142.577%0.76982%0.816SS**  67.371.871.600000111.9
374E30.8Very low33.2Very low203 Ų203147.5 Ų147.595%0.94982%0.821SS**PPolyproline II helixtrans-80.8131.4163-75.5-165.396.200110.2
375Q33.8Very low33.6Very low178 Ų178147.2 Ų147.283%0.83282%0.819SS**PPolyproline II helixtrans-88.7130.8-176-157.188.412.100110.2P377Q375-P377 WeakPolarHBondContact O-CD 3.45Å
376E37.7Very low34Very low180 Ų180149.5 Ų149.584%0.84182%0.823SS**PPolyproline II helixtrans-66.3123.3174.9-171.3177.5177.300111
377P43.1Very low34.3Very low118 Ų118148.4 Ų148.477%0.76682%0.823SS**PPolyproline II helixtrans-81.3124.6-177.330.9-33.3000111.9Q375Q375-P377 WeakPolarHBondContact O-CD 3.45Å
378L39.1Very low34.6Very low160 Ų160149.7 Ų149.784%0.83883%0.827SS**PPolyproline II helixtrans-61.7144-179-70.2169.4000113G380L378-G380 PolarHBondContact O-N 3.34Å
379P37.5Very low34.9Very low129 Ų129152 Ų15284%0.83883%0.832SS**THydrogen-bonded Turntrans-71.7124.9-174.428.5-35000112.2
380G42.8Very low35Very low71 Ų71151.7 Ų151.773%0.73283%0.829SS**THydrogen-bonded Turntrans158.8-15.2170.700000117.3L378L378-G380 PolarHBondContact O-N 3.34Å
381L44.1Very low35.8Very low168 Ų168149.1 Ų149.188%0.8882%0.823SS**  trans-110.240.5-170.7-65179000115
382L42.8Very low36.1Very low144 Ų144143 Ų14375%0.75481%0.813SS**  trans-80.5147.5162.3-61.2-179.2000109.8
383F40.6Very low36.4Very low204 Ų204145.4 Ų145.490%0.89582%0.816SS**  trans72.560.1-179.3-43-68.3000117
384R33.7Very low36.3Very low235 Ų235147.2 Ų147.289%0.88782%0.822SS**  trans-113.2125.4139.1-70.7-172.368.6176.8-0.2108.9
385S34.8Very low36.3Very low115 Ų115142.9 Ų142.980%0.80481%0.81SS**  trans-74.4140.8172.449.60000110.5
386S36.4Very low36.1Very low120 Ų120140.2 Ų140.284%0.83981%0.807SS**  trans-116.2133.5166.7-60.40000108.5
387D32Very low35.7Very low152 Ų152140 Ų14081%0.81381%0.806SS**  trans-82.6147.2179.3-70.8-56000112.4
388E35Very low35.1Very low176 Ų176144.7 Ų144.782%0.82281%0.81SS**  trans27.9102.3149.8-69.1-71.994.500119.3
389T33.4Very low34.7Very low144 Ų144147.3 Ų147.388%0.88381%0.809SS**  -159.8122.3129.9-65.90000109.5
390G28.9Very low34.3Very low62 Ų62147.1 Ų147.164%0.63981%0.805SS**  trans-113.1-169166.100000111.4
391P42.3Very low33.8Very low122 Ų122148.4 Ų148.479%0.79280%0.799SS**  cis-132174.82.540.9-25.7000114.6
392T30.1Very low33.3Very low120 Ų120149.6 Ų149.674%0.73680%0.798SS**  162.1120.1121.5-66.90000112.9
393L34.3Very low32.9Very low159 Ų159154.2 Ų154.283%0.83281%0.807SS**  trans26.1115.9155.4-58.7171.4000120.9
394C29.9Very low32.7Very low132 Ų132152.8 Ų152.889%0.89281%0.808SS**  -167.2131.5113.3-124.80000111.9
395T29.1Very low32.7Very low112 Ų112150 Ų15069%0.68781%0.805SS**  trans-132.9120.5-173.2-47.30000112.7
396P29.9Very low32.6Very low121 Ų121150.4 Ų150.479%0.78680%0.804SS**  trans-91.3127.2160.332.8-27.9000110.5
397H29.7Very low32.4Very low176 Ų176149.3 Ų149.382%0.81580%0.803SS**  trans-83.2135.4-178.5-70.7-83.8000113.3
398Y30Very low32.6Very low217 Ų217149.9 Ų149.985%0.85181%0.805SS**  trans-135.8142.8137.172.1-86.1000110.7
399R31.1Very low32.9Very low214 Ų214146.9 Ų146.981%0.80880%0.801SS**  trans-108.9133.5-174.3-101.3-172.8169.1-165.5-2110.8
400T29.2Very low33Very low125 Ų125145.7 Ų145.777%0.76780%0.796SS**  trans-14269.6159.2-40.10000111.2
401T32.4Very low33.1Very low99 Ų99149.2 Ų149.261%0.60780%0.804SS**  trans-94.197.1-178.950.60000111.9
402F33.4Very low32.7Very low192 Ų192148.8 Ų148.884%0.84280%0.804SS**  trans-150.869.8169.4-89.6-63.7000113.9
403Y34.5Very low32.9Very low242 Ų242149.2 Ų149.295%0.94981%0.807SS**  trans-140.8137.9145.4-89.1-75.2000108
404L36.3Very low32.8Very low174 Ų174147.4 Ų147.491%0.91180%0.804SS**  trans-96.5131.2-175.9-75.2163.7000110.6
405E33.3Very low33Very low177 Ų177150.4 Ų150.483%0.82781%0.805SS**  trans-98.5139.1166.8-171.2-177.1177.500109.8A407E405-A407 PolarHBondContact O-N 2.86Å
406P33.5Very low33.1Very low122 Ų122154.8 Ų154.879%0.79281%0.809SS**  trans-82.6102.9176.8-3.622.3000111.4
407A31.7Very low33.3Very low98 Ų98154.8 Ų154.881%0.8181%0.812SS**PPolyproline II helixtrans-77.8129.7174.800000112.2E405E405-A407 PolarHBondContact O-N 2.86Å
408L35.9Very low33.6Very low164 Ų164153.1 Ų153.186%0.85980%0.804SS**PPolyproline II helixtrans-92142.7166.3-72.4170.5000110.3
409P41.2Very low34Very low112 Ų112152.7 Ų152.773%0.72781%0.807SS**PPolyproline II helixtrans-75.9145.4-179.631-34.9000112.3
410P37.2Very low34.3Very low120 Ų120150.1 Ų150.178%0.77981%0.809SS**PPolyproline II helixtrans-75.4147.517731.2-35000112.5
411V30.7Very low34.6Very low135 Ų135153.5 Ų153.582%0.81881%0.814SS**PPolyproline II helixtrans-88.6117.2173.9176.10000110V413V411-V413 PolarHBondContact O-N 2.83Å
412S33.3Very low34.9Very low113 Ų113154.8 Ų154.879%0.7982%0.821SS**PPolyproline II helixtrans-78.2116.5176.2-58.10000111.7
413V33.7Very low35.1Very low130 Ų130154.3 Ų154.379%0.78882%0.821SS**PPolyproline II helixtrans-96.9118.4169.7-179.40000109.1V411V411-V413 PolarHBondContact O-N 2.83Å
414P34Very low35.3Very low121 Ų121151.8 Ų151.879%0.78682%0.815SS**PPolyproline II helixtrans-73130.1-179.7-18.432.4000112.7R416P414-R416 PolarHBondContact O-N 3.5Å
415Q32.3Very low35.2Very low195 Ų195150.3 Ų150.391%0.91181%0.813SS**PPolyproline II helixtrans-76.7118.7169.2-103.8-177.2-101.800111.5
416R31.3Very low35.5Very low204 Ų204150.5 Ų150.577%0.7782%0.816SS**  trans-7.8119.6153.1-178.1178.8-178.7161.7-3.3115.6P414 E418P414-R416 PolarHBondContact O-N 3.5Å; R416-E418 HydrophobicContact CG-CG 4.13Å; R416-E418 IonicContact CZ-OE1 3.65Å; R416-E418 VanDerWaalsContact CZ-OE1 3.23Å; R416-E418 IonicContact NE-OE1 2.71Å; R416-E418 PolarHBondContact NE-OE1 2.86Å; R416-E418 IonicContact NH2-OE1 2.75Å; R416-E418 PolarHBondContact NH2-OE1 2.79Å
417S34.3Very low35.5Very low121 Ų121148.1 Ų148.185%0.84681%0.814SS**  trans-120135.2155-176.80000108.4
418E36.2Very low35.6Very low140 Ų140149.5 Ų149.565%0.65482%0.816SS**  trans-96133.8-170.8-59.6-175.5135.400111.1R416R416-E418 HydrophobicContact CG-CG 4.13Å; R416-E418 IonicContact CZ-OE1 3.65Å; R416-E418 VanDerWaalsContact CZ-OE1 3.23Å; R416-E418 IonicContact NE-OE1 2.71Å; R416-E418 PolarHBondContact NE-OE1 2.86Å; R416-E418 IonicContact NH2-OE1 2.75Å; R416-E418 PolarHBondContact NH2-OE1 2.79Å
419K39Very low36.2Very low208 Ų208147.6 Ų147.690%0.90481%0.814SS**  trans-148.9119.3163.5-151.8159.7-170.81690111.9
420N36.1Very low35.9Very low161 Ų161147.9 Ų147.986%0.86182%0.818SS**  trans-63.3136.4-179.1-67.1-36.9000112.1
421K36.8Very low36Very low196 Ų196148.5 Ų148.585%0.85282%0.824SS**  trans-150.5120141.9-121.4-179.7-177.7-172.80111.6
422V37.4Very low36.3Very low125 Ų125147.3 Ų147.376%0.75882%0.822SS**  trans-75.1129.1173172.70000109.2
423H37.8Very low37Very low182 Ų182146.5 Ų146.584%0.84382%0.822SS**  trans-146159.4146.8-86.4-67.2000109.7
424K38.6Very low37.4Very low189 Ų189144.7 Ų144.782%0.82282%0.82SS**  trans-137112.5-154171.1-170.6174-176.70110.7
425T34.4Very low38.3Very low143 Ų143144.4 Ų144.488%0.87782%0.816SS**  trans-143141172-41.30000110
426M40.9Very low39.1Very low181 Ų181141 Ų14189%0.89281%0.811SS**  trans-86.2157.9178.1-63.3169.9171.800111.3
427G33.1Very low40Very low72 Ų72139.5 Ų139.574%0.74282%0.817SS**  trans-179.840.8179.500000120.2
428C33.3Very low40.3Very low128 Ų128136.6 Ų136.687%0.86581%0.806SS**  trans58.9159.3163.2-70.60000120.1
429P49.1Very low40.9Very low124 Ų124142 Ų14281%0.80582%0.821SS**  trans-92155179.236.4-34.7000113
430S33.9Very low41.5Very low117 Ų117137.1 Ų137.182%0.81881%0.813SS**  trans-144.8124.9157.5-1750000110.1
431C39Very low42.3Very low134 Ų134133.5 Ų133.591%0.90581%0.805SS**  trans-85.3113.7175.6-64.70000109.3
432S38.2Very low43.4Very low109 Ų109129.8 Ų129.876%0.76280%0.804SS**  trans-122.7112.1165.4-169.40000109.4A434S432-A434 PolarHBondContact O-N 3.46Å
433A47.3Very low44.8Very low96 Ų96127.4 Ų127.479%0.79379%0.79SS**  trans-76.487.5-178.400000110.1V435A433-V435 PolarHBondContact O-N 3.21Å
434A41.5Very low47.1Very low92 Ų92121.9 Ų121.976%0.7677%0.771SS**  trans-65.693.6173.100000110.3S432 P436S432-A434 PolarHBondContact O-N 3.46Å; A434-P436 WeakPolarHBondContact O-CD 3.19Å
435V54.1Low49.4Very low116 Ų116119 Ų11970%0.70376%0.761SS**  trans-59.2123171.11760000108.6A433 L437A433-V435 PolarHBondContact O-N 3.21Å; V435-L437 PolarHBondContact O-N 2.78Å
436P48.4Very low52Low122 Ų122116.6 Ų116.679%0.79274%0.743SS**  trans-64.5111.1176.1-22.434.6000110.7A434A434-P436 WeakPolarHBondContact O-CD 3.19Å
437L50.5Low54.3Low173 Ų173113.2 Ų113.291%0.90672%0.723SS**  trans-63.4151.8163.4-84.592000109.8V435V435-L437 PolarHBondContact O-N 2.78Å
438G40.4Very low57.1Low60 Ų60114.1 Ų114.162%0.61971%0.711SS**  trans90.687.4170.800000113.6S440G438-S440 PolarHBondContact O-N 2.96Å
439R49.5Very low59.7Low254 Ų254113.3 Ų113.396%0.95869%0.689SS**  trans-70.369.9145.2-75.7-173.8172.8-134.20108.7A441R439-A441 VanDerWaalsContact C-N 3.34Å; R439-A441 PolarHBondContact O-N 2.98Å
440S50.3Low61.6Low105 Ų105111.4 Ų111.473%0.73468%0.675SS**  trans-61.310216133.80000106.8G438 S442G438-S440 PolarHBondContact O-N 2.96Å; S440-S442 PolarHBondContact O-N 2.91Å
441A53.2Low64.2Low85 Ų85112.4 Ų112.470%0.70266%0.661SS**  trans-60.5110.3177.700000108.2R439 V443R439-A441 VanDerWaalsContact C-N 3.34Å; R439-A441 PolarHBondContact O-N 2.98Å; A441-V443 PolarHBondContact O-N 3Å
442S61.2Low66.6Low119 Ų119111.4 Ų111.483%0.83264%0.643SS**  trans-71.173174.440.80000109.4S440 S444S440-S442 PolarHBondContact O-N 2.91Å; S442-S444 PolarHBondContact O-N 3.4Å; S442-S444 VanDerWaalsContact O-N 3.1Å
443V66.9Low68.9Low75 Ų75114.5 Ų114.546%0.45564%0.638SS.*  trans-51118.4169.5-179.90000106.9A441 Q445 F447 L448A441-V443 PolarHBondContact O-N 3Å; V443-Q445 PolarHBondContact O-N 2.79Å; V443-F447 HydrophobicContact CG1-CB 3.99Å; V443-F447 HydrophobicContact CG1-CD1 3.31Å; V443-F447 HydrophobicContact CG1-CE1 4.07Å; V443-F447 HydrophobicContact CG1-CG 3.94Å; V443-L448 HydrophobicContact CG1-CD2 3.81Å; V443-L448 HydrophobicContact CG1-CG 3.97Å
444S85.2Confident70.9Confident65 Ų65114.4 Ų114.446%0.45562%0.624SS.*  trans-58.5142.9-173.361.70000110.2S442 D446 F447 L448S442-S444 PolarHBondContact O-N 3.4Å; S442-S444 VanDerWaalsContact O-N 3.1Å; S444-D446 PolarHBondContact O-N 2.88Å; S444-F447 WeakPolarHBondContact O-CB 3.49Å; S444-F447 PolarHBondContact O-N 2.9Å; S444-F447 WeakPolarHBondContact OG-CB 3.38Å; S444-F447 PolarHBondContact OG-N 2.99Å; S444-L448 PolarHBondContact O-N 2.97Å; S444-L448 VanDerWaalsContact O-N 3.13Å
445Q86.5Confident72.9Confident128 Ų128115.6 Ų115.660%0.59861%0.614SS**Hα-helixtrans-56.1-30.2179.2-160.8-179.935.900110.7V443 L448 R449V443-Q445 PolarHBondContact O-N 2.79Å; Q445-L448 PolarHBondContact O-N 3.08Å; Q445-R449 VanDerWaalsContact O-CG 3.3Å; Q445-R449 WeakPolarHBondContact O-CG 3.34Å; Q445-R449 PolarHBondContact O-N 3.4Å; Q445-R449 VanDerWaalsContact OE1-CZ 3.3Å; Q445-R449 VanDerWaalsContact OE1-NH1 3.13Å
446D88.5Confident74.2Confident93 Ų93115.4 Ų115.450%0.49761%0.605SS.*Hα-helixtrans-74.1-34.1176.4-51.4-55.7000113.6S444 L448 R449 V450S444-D446 PolarHBondContact O-N 2.88Å; D446-L448 VanDerWaalsContact C-N 3.29Å; D446-L448 PolarHBondContact O-N 3.31Å; D446-R449 PolarHBondContact O-N 2.76Å; D446-R449 IonicContact OD1-CZ 2.77Å; D446-R449 IonicContact OD1-NH1 3.75Å; D446-R449 PolarHBondContact OD1-NH1 3.49Å; D446-V450 VanDerWaalsContact O-CB 3.3Å; D446-V450 WeakPolarHBondContact O-CB 3.47Å; D446-V450 VanDerWaalsContact O-CG2 3.23Å; D446-V450 WeakPolarHBondContact O-CG2 3.24Å; D446-V450 PolarHBondContact O-N 2.85Å
447F90.3Very high75.6Confident110 Ų110116.1 Ų116.148%0.48260%0.601SS.*Hα-helixtrans-62.9-39.3168.7-179.7-86.3000110.9V443 S444 R451V443-F447 HydrophobicContact CG1-CB 3.99Å; V443-F447 HydrophobicContact CG1-CD1 3.31Å; V443-F447 HydrophobicContact CG1-CE1 4.07Å; V443-F447 HydrophobicContact CG1-CG 3.94Å; S444-F447 WeakPolarHBondContact O-CB 3.49Å; S444-F447 PolarHBondContact O-N 2.9Å; S444-F447 WeakPolarHBondContact OG-CB 3.38Å; S444-F447 PolarHBondContact OG-N 2.99Å; F447-R451 WeakPolarHBondContact O-CB 3.33Å; F447-R451 PolarHBondContact O-N 3.47Å
448L90.8Very high76.7Confident92 Ų92114.2 Ų114.248%0.48259%0.592SS.*Hα-helixtrans-66.1-45.3174.8-62.3178.3000111.6V443 S444 Q445 D446 V450 R451 Q452V443-L448 HydrophobicContact CG1-CD2 3.81Å; V443-L448 HydrophobicContact CG1-CG 3.97Å; S444-L448 PolarHBondContact O-N 2.97Å; S444-L448 VanDerWaalsContact O-N 3.13Å; Q445-L448 PolarHBondContact O-N 3.08Å; D446-L448 VanDerWaalsContact C-N 3.29Å; D446-L448 PolarHBondContact O-N 3.31Å; L448-V450 PolarHBondContact O-N 3.41Å; L448-R451 PolarHBondContact O-N 3.34Å; L448-Q452 VanDerWaalsContact O-CB 3.3Å; L448-Q452 WeakPolarHBondContact O-CB 3.48Å; L448-Q452 PolarHBondContact O-N 2.95Å
449R88.9Confident78.2Confident111 Ų111113.5 Ų113.542%0.41958%0.579SS.*Hα-helixtrans-58.7-45.8173.6-72.2168.2177126.14.2112.4Q445 D446 Q452 R453Q445-R449 VanDerWaalsContact O-CG 3.3Å; Q445-R449 WeakPolarHBondContact O-CG 3.34Å; Q445-R449 PolarHBondContact O-N 3.4Å; Q445-R449 VanDerWaalsContact OE1-CZ 3.3Å; Q445-R449 VanDerWaalsContact OE1-NH1 3.13Å; D446-R449 PolarHBondContact O-N 2.76Å; D446-R449 IonicContact OD1-CZ 2.77Å; D446-R449 IonicContact OD1-NH1 3.75Å; D446-R449 PolarHBondContact OD1-NH1 3.49Å; R449-Q452 PolarHBondContact O-N 2.92Å; R449-R453 WeakPolarHBondContact O-CB 3.21Å; R449-R453 WeakPolarHBondContact O-CG 3.49Å; R449-R453 PolarHBondContact O-N 3.1Å
450V89.1Confident78.7Confident84 Ų84107.4 Ų107.451%0.50957%0.573SS.*Hα-helixtrans-65.3-44.3178.3167.70000110.5D446 L448 Q452 R453 L454D446-V450 VanDerWaalsContact O-CB 3.3Å; D446-V450 WeakPolarHBondContact O-CB 3.47Å; D446-V450 VanDerWaalsContact O-CG2 3.23Å; D446-V450 WeakPolarHBondContact O-CG2 3.24Å; D446-V450 PolarHBondContact O-N 2.85Å; L448-V450 PolarHBondContact O-N 3.41Å; V450-Q452 PolarHBondContact O-N 3.05Å; V450-R453 PolarHBondContact O-N 3.36Å; V450-L454 HydrophobicContact CG1-CD1 4.45Å; V450-L454 WeakPolarHBondContact O-CB 3.29Å; V450-L454 PolarHBondContact O-N 3.22Å
451R89.1Confident79.1Confident138 Ų138107.2 Ų107.252%0.52156%0.56SS.*Hα-helixtrans-62-42.5175.4-173.1-178.3-178.9106-1.8111.7F447 L448 L454 Q455F447-R451 WeakPolarHBondContact O-CB 3.33Å; F447-R451 PolarHBondContact O-N 3.47Å; L448-R451 PolarHBondContact O-N 3.34Å; R451-L454 PolarHBondContact O-N 2.8Å; R451-Q455 WeakPolarHBondContact O-CB 3.45Å; R451-Q455 VanDerWaalsContact O-CG 3.31Å; R451-Q455 WeakPolarHBondContact O-CG 3.39Å; R451-Q455 PolarHBondContact O-N 2.93Å
452Q89Confident79.7Confident112 Ų112106.5 Ų106.552%0.52355%0.551SS.*Hα-helixtrans-64-45176.5-173.7179.410.800111.6L448 R449 V450 Q455 Q456L448-Q452 VanDerWaalsContact O-CB 3.3Å; L448-Q452 WeakPolarHBondContact O-CB 3.48Å; L448-Q452 PolarHBondContact O-N 2.95Å; R449-Q452 PolarHBondContact O-N 2.92Å; V450-Q452 PolarHBondContact O-N 3.05Å; Q452-Q455 CarbonylContact O-C 3.56Å; Q452-Q455 PolarHBondContact O-N 3.29Å; Q452-Q456 WeakPolarHBondContact O-CG 3.34Å; Q452-Q456 PolarHBondContact O-N 3.02Å
453R86.4Confident79.8Confident175 Ų175107.5 Ų107.566%0.6654%0.537SS*.Hα-helixtrans-61.3-42.7173.3-76.4178.5173179.2-2.6111.9R449 V450 Q455 Q456 L457R449-R453 WeakPolarHBondContact O-CB 3.21Å; R449-R453 WeakPolarHBondContact O-CG 3.49Å; R449-R453 PolarHBondContact O-N 3.1Å; V450-R453 PolarHBondContact O-N 3.36Å; R453-Q455 VanDerWaalsContact C-N 3.33Å; R453-Q455 PolarHBondContact O-N 3.02Å; R453-Q456 PolarHBondContact O-N 3.48Å; R453-L457 WeakPolarHBondContact O-CB 3.47Å; R453-L457 WeakPolarHBondContact O-CG 3.25Å; R453-L457 PolarHBondContact O-N 2.9Å
454L89.1Confident79.7Confident93 Ų93107.8 Ų107.849%0.48754%0.536SS..Hα-helixtrans-60.5-41.8172.8-106161.8000111.8V450 R451 Q456 L457 L458V450-L454 HydrophobicContact CG1-CD1 4.45Å; V450-L454 WeakPolarHBondContact O-CB 3.29Å; V450-L454 PolarHBondContact O-N 3.22Å; R451-L454 PolarHBondContact O-N 2.8Å; L454-Q456 VanDerWaalsContact C-N 3.33Å; L454-Q456 PolarHBondContact O-N 2.99Å; L454-L457 PolarHBondContact O-N 3.07Å; L454-L458 HydrophobicContact CD2-CD1 3.8Å; L454-L458 HydrophobicContact CD2-CG 4.28Å; L454-L458 WeakPolarHBondContact O-CB 3.22Å; L454-L458 VanDerWaalsContact O-CG 3.25Å; L454-L458 WeakPolarHBondContact O-CG 3.48Å; L454-L458 PolarHBondContact O-N 3.02Å
455Q83.9Confident78.9Confident118 Ų118109.5 Ų109.555%0.55154%0.539SS*.Hα-helixtrans-68.3-28.7175.3-73.5176.8-73.400112.9R451 Q452 R453 A459R451-Q455 WeakPolarHBondContact O-CB 3.45Å; R451-Q455 VanDerWaalsContact O-CG 3.31Å; R451-Q455 WeakPolarHBondContact O-CG 3.39Å; R451-Q455 PolarHBondContact O-N 2.93Å; Q452-Q455 CarbonylContact O-C 3.56Å; Q452-Q455 PolarHBondContact O-N 3.29Å; R453-Q455 VanDerWaalsContact C-N 3.33Å; R453-Q455 PolarHBondContact O-N 3.02Å; Q455-A459 WeakPolarHBondContact O-CA 3.17Å; Q455-A459 VanDerWaalsContact O-CB 3.29Å; Q455-A459 WeakPolarHBondContact O-CB 3.5Å; Q455-A459 PolarHBondContact O-N 3.35Å
456Q81.1Confident78.3Confident112 Ų112110 Ų11052%0.52355%0.545SS..Hα-helixtrans-76.7-34.7173.4-73.4168.4-29.800112.6Q452 R453 L454 A459Q452-Q456 WeakPolarHBondContact O-CG 3.34Å; Q452-Q456 PolarHBondContact O-N 3.02Å; R453-Q456 PolarHBondContact O-N 3.48Å; L454-Q456 VanDerWaalsContact C-N 3.33Å; L454-Q456 PolarHBondContact O-N 2.99Å; Q456-A459 WeakPolarHBondContact O-CB 3.42Å
457L77.3Confident77.8Confident136 Ų136108.4 Ų108.471%0.71254%0.536SS*.Hα-helixtrans-76.2-33.7175-69169.6000112.5R453 L454R453-L457 WeakPolarHBondContact O-CB 3.47Å; R453-L457 WeakPolarHBondContact O-CG 3.25Å; R453-L457 PolarHBondContact O-N 2.9Å; L454-L457 PolarHBondContact O-N 3.07Å
458L73.4Confident77.5Confident134 Ų134106.3 Ų106.370%0.70253%0.534SS*.SBendtrans-88.7-4173.9-64.6171.3000113.1L454L454-L458 HydrophobicContact CD2-CD1 3.8Å; L454-L458 HydrophobicContact CD2-CG 4.28Å; L454-L458 WeakPolarHBondContact O-CB 3.22Å; L454-L458 VanDerWaalsContact O-CG 3.25Å; L454-L458 WeakPolarHBondContact O-CG 3.48Å; L454-L458 PolarHBondContact O-N 3.02Å
459A71.8Confident76.9Confident44 Ų44105.5 Ų105.536%0.36453%0.527SS..SBendtrans-61.8137.4170.900000108.6Q455 Q456 Q461Q455-A459 WeakPolarHBondContact O-CA 3.17Å; Q455-A459 VanDerWaalsContact O-CB 3.29Å; Q455-A459 WeakPolarHBondContact O-CB 3.5Å; Q455-A459 PolarHBondContact O-N 3.35Å; Q456-A459 WeakPolarHBondContact O-CB 3.42Å; A459-Q461 VanDerWaalsContact C-N 3.27Å; A459-Q461 PolarHBondContact O-N 3.5Å
460P59.9Low76.6Confident127 Ų127105.9 Ų105.983%0.82553%0.534SS*.  trans-69.387.4177.728.7-34.3000109.6S462P460-S462 PolarHBondContact O-N 2.88Å; P460-S462 VanDerWaalsContact O-N 3.07Å
461Q60.3Low76.3Confident100 Ų100105.8 Ų105.847%0.46753%0.53SS..  trans-60.9114.3176-69.5-163.734.600108.9A459 Y463A459-Q461 VanDerWaalsContact C-N 3.27Å; A459-Q461 PolarHBondContact O-N 3.5Å; Q461-Y463 HydrophobicContact CB-CD1 4.3Å; Q461-Y463 HydrophobicContact CB-CD2 4.15Å; Q461-Y463 HydrophobicContact CB-CE1 3.83Å; Q461-Y463 HydrophobicContact CB-CE2 3.67Å; Q461-Y463 HydrophobicContact CB-CG 4.46Å; Q461-Y463 VanDerWaalsContact CB-CZ 3.49Å; Q461-Y463 WeakPolarHBondContact O-CD2 3.34Å; Q461-Y463 PolarHBondContact O-N 3.45Å; Q461-Y463 VanDerWaalsContact OE1-CE1 3.26Å; Q461-Y463 PolarHBondContact OE1-OH 3.05Å
462S64.4Low76.1Confident71 Ų7199.4 Ų99.450%0.49751%0.506SS..  trans-80.559.3-176.144.60000110.6P460 L464 L465P460-S462 PolarHBondContact O-N 2.88Å; P460-S462 VanDerWaalsContact O-N 3.07Å; S462-L464 PolarHBondContact O-N 3.11Å; S462-L465 WeakPolarHBondContact O-CB 3.3Å; S462-L465 PolarHBondContact O-N 3Å
463Y65.1Low75.8Confident139 Ų13995 Ų9555%0.54549%0.486SS..G310 helixtrans-50.5-31.4-179.2-57.1-70.3000113Q461 L465 L466 L467Q461-Y463 HydrophobicContact CB-CD1 4.3Å; Q461-Y463 HydrophobicContact CB-CD2 4.15Å; Q461-Y463 HydrophobicContact CB-CE1 3.83Å; Q461-Y463 HydrophobicContact CB-CE2 3.67Å; Q461-Y463 HydrophobicContact CB-CG 4.46Å; Q461-Y463 VanDerWaalsContact CB-CZ 3.49Å; Q461-Y463 WeakPolarHBondContact O-CD2 3.34Å; Q461-Y463 PolarHBondContact O-N 3.45Å; Q461-Y463 VanDerWaalsContact OE1-CE1 3.26Å; Q461-Y463 PolarHBondContact OE1-OH 3.05Å; Y463-L465 PolarHBondContact O-N 3.38Å; Y463-L466 PolarHBondContact O-N 3.41Å; Y463-L467 VanDerWaalsContact O-CD1 3.3Å; Y463-L467 WeakPolarHBondContact O-CD1 3.45Å; Y463-L467 PolarHBondContact O-N 3.43Å
464L64.6Low75.5Confident82 Ų8291 Ų9143%0.42948%0.478SS..G310 helixtrans-63.8-16.1174.7-58.1-179.8000114.9S462 L472S462-L464 PolarHBondContact O-N 3.11Å; L464-L472 HydrophobicContact CB-CD1 4.01Å; L464-L472 HydrophobicContact CD2-CD1 3.83Å; L464-L472 HydrophobicContact CG-CD1 4.46Å
465L66.9Low75.3Confident100 Ų10091.2 Ų91.252%0.52448%0.479SS..G310 helixtrans-90.4-14172.2-61.6-179.7000112.9S462 Y463 Y493S462-L465 WeakPolarHBondContact O-CB 3.3Å; S462-L465 PolarHBondContact O-N 3Å; Y463-L465 PolarHBondContact O-N 3.38Å; L465-Y493 HydrophobicContact CD2-CD1 3.6Å; L465-Y493 HydrophobicContact CD2-CD2 3.77Å; L465-Y493 HydrophobicContact CD2-CE1 3.63Å; L465-Y493 HydrophobicContact CD2-CE2 3.83Å; L465-Y493 HydrophobicContact CD2-CG 3.66Å
466L75Confident75.3Confident140 Ų14086.2 Ų86.273%0.73346%0.457SS*.THydrogen-bonded Turntrans-91.5-19.8176.9-64.2171.7000112.1Y463Y463-L466 PolarHBondContact O-N 3.41Å
467L76.9Confident75.3Confident59 Ų5984 Ų8431%0.30945%0.448SS..SBendtrans-76.1134.9174.2-89.979.5000111.5Y463 H469 L471 L475Y463-L467 VanDerWaalsContact O-CD1 3.3Å; Y463-L467 WeakPolarHBondContact O-CD1 3.45Å; Y463-L467 PolarHBondContact O-N 3.43Å; L467-H469 PolarHBondContact O-N 3.38Å; L467-L471 HydrophobicContact CD2-CB 4.29Å; L467-L475 HydrophobicContact CD2-CD1 3.56Å
468P84.3Confident75.5Confident66 Ų6683.9 Ų83.943%0.42945%0.447SS..  trans-53.5138.2166-27.235.2000112.5H470 L471 L472P468-H470 VanDerWaalsContact CB-CE1 3.42Å; P468-H470 WeakPolarHBondContact CB-CE1 3.23Å; P468-H470 PolarHBondContact O-N 3.14Å; P468-L471 PolarHBondContact O-N 3.39Å; P468-L472 PolarHBondContact O-N 3.21Å; P468-L472 VanDerWaalsContact O-N 3.1Å
469H79.5Confident75.9Confident74 Ų7480 Ų8034%0.34343%0.427SS..Hα-helixtrans-51.9-33.3-175.8-67.9123.6000114.4L467 L472 V473 Y493 Y501L467-H469 PolarHBondContact O-N 3.38Å; H469-L472 PolarHBondContact O-N 3.34Å; H469-V473 WeakPolarHBondContact O-CB 3.41Å; H469-V473 VanDerWaalsContact O-CG2 3.23Å; H469-V473 WeakPolarHBondContact O-CG2 3.42Å; H469-V473 PolarHBondContact O-N 2.97Å; H469-Y493 PolarHBondContact CD2-OH 2.83Å; H469-Y493 PolarHBondContact NE2-OH 3.31Å; H469-Y501 HydrophobicContact CB-CE1 4.39Å; H469-Y501 HydrophobicContact CB-CE2 4.07Å; H469-Y501 WeakPolarHBondContact CB-OH 3.42Å; H469-Y501 AromaticContact CD2-CE2 3.95Å; H469-Y501 AromaticContact CG-CZ 3.89Å; H469-Y501 VanDerWaalsContact CG-OH 3.28Å; H469-Y501 PolarHBondContact ND1-OH 3.48Å
470H80.8Confident75.8Confident120 Ų12080.6 Ų80.656%0.55643%0.427SS*.Hα-helixtrans-69.1-40.3179.660.2-98.3000112.7P468 N474P468-H470 VanDerWaalsContact CB-CE1 3.42Å; P468-H470 WeakPolarHBondContact CB-CE1 3.23Å; P468-H470 PolarHBondContact O-N 3.14Å; H470-N474 VanDerWaalsContact O-CG 3.28Å; H470-N474 PolarHBondContact O-N 3.46Å
471L83.5Confident76.2Confident81 Ų8177.3 Ų77.342%0.42441%0.405SS..Hα-helixtrans-67.7-41.9173.3-62.2-175.8000110.7L467 P468 V473 N474 L475L467-L471 HydrophobicContact CD2-CB 4.29Å; P468-L471 PolarHBondContact O-N 3.39Å; L471-V473 PolarHBondContact O-N 3.03Å; L471-N474 PolarHBondContact O-N 3.45Å; L471-L475 WeakPolarHBondContact O-CG 3.39Å; L471-L475 PolarHBondContact O-N 3.01Å
472L84.3Confident76.6Confident5 Ų580.1 Ų80.13%0.02642%0.418CS..Hα-helixtrans-58.4-47.1176.8-167.579000111.3L464 P468 H469 L475 L476 Y493 V497L464-L472 HydrophobicContact CB-CD1 4.01Å; L464-L472 HydrophobicContact CD2-CD1 3.83Å; L464-L472 HydrophobicContact CG-CD1 4.46Å; P468-L472 PolarHBondContact O-N 3.21Å; P468-L472 VanDerWaalsContact O-N 3.1Å; H469-L472 PolarHBondContact O-N 3.34Å; L472-L475 PolarHBondContact O-N 2.94Å; L472-L476 HydrophobicContact CD2-CD1 4.37Å; L472-L476 HydrophobicContact CG-CD1 3.89Å; L472-L476 WeakPolarHBondContact O-CB 3.34Å; L472-L476 WeakPolarHBondContact O-CD1 3.28Å; L472-L476 WeakPolarHBondContact O-CG 3.44Å; L472-L476 PolarHBondContact O-N 3.43Å; L472-Y493 HydrophobicContact CD2-CE1 3.57Å; L472-V497 HydrophobicContact CD2-CG1 4.18Å; L472-V497 HydrophobicContact CD2-CG2 3.69Å
473V83Confident77.1Confident18 Ų1879 Ų7911%0.10941%0.41CS..Hα-helixtrans-61.2-48.4175.9167.70000111H469 L471 L475 L476 L477 V497 Y501 V503H469-V473 WeakPolarHBondContact O-CB 3.41Å; H469-V473 VanDerWaalsContact O-CG2 3.23Å; H469-V473 WeakPolarHBondContact O-CG2 3.42Å; H469-V473 PolarHBondContact O-N 2.97Å; L471-V473 PolarHBondContact O-N 3.03Å; V473-L475 VanDerWaalsContact C-N 3.35Å; V473-L475 PolarHBondContact O-N 3.36Å; V473-L476 PolarHBondContact O-N 3.26Å; V473-L476 VanDerWaalsContact O-N 3.14Å; V473-L477 HydrophobicContact CG1-CD1 3.89Å; V473-L477 HydrophobicContact CG1-CG 4.12Å; V473-L477 VanDerWaalsContact O-CG 3.28Å; V473-L477 WeakPolarHBondContact O-CG 3.28Å; V473-L477 PolarHBondContact O-N 3.34Å; V473-V497 HydrophobicContact CG2-CG1 4.28Å; V473-Y501 VanDerWaalsContact CG2-CB 3.44Å; V473-Y501 HydrophobicContact CG2-CD1 3.98Å; V473-Y501 HydrophobicContact CG2-CD2 3.86Å; V473-Y501 HydrophobicContact CG2-CG 3.48Å; V473-Y501 VanDerWaalsContact CG2-CG 3.48Å; V473-V503 HydrophobicContact CG1-CG2 4.46Å; V473-V503 HydrophobicContact CG2-CG2 4.32Å
474N81.4Confident77.7Confident92 Ų9273 Ų7349%0.49239%0.387SS..Hα-helixtrans-59.1-43.4179.2-72-6.5000112.5H470 L471 L476 L477 L478H470-N474 VanDerWaalsContact O-CG 3.28Å; H470-N474 PolarHBondContact O-N 3.46Å; L471-N474 PolarHBondContact O-N 3.45Å; N474-L476 PolarHBondContact O-N 3Å; N474-L477 PolarHBondContact O-N 2.98Å; N474-L478 WeakPolarHBondContact O-CG 3.44Å; N474-L478 PolarHBondContact O-N 3.48Å
475L84.9Confident77.8Confident97 Ų9771.7 Ų71.751%0.50839%0.388SS..Hα-helixtrans-62.3-41.3175.4-72.2167.9000112.1L467 L471 L472 V473 L478L467-L475 HydrophobicContact CD2-CD1 3.56Å; L471-L475 WeakPolarHBondContact O-CG 3.39Å; L471-L475 PolarHBondContact O-N 3.01Å; L472-L475 PolarHBondContact O-N 2.94Å; V473-L475 VanDerWaalsContact C-N 3.35Å; V473-L475 PolarHBondContact O-N 3.36Å; L475-L478 PolarHBondContact O-N 3.33Å
476L83Confident78.1Confident14 Ų1469.5 Ų69.57%0.07338%0.384CS..Hα-helixtrans-74.9-27.4-179.9-64.2164.8000112.6L472 V473 N474 L478 L479 L484 L487 F494 V497 V503L472-L476 HydrophobicContact CD2-CD1 4.37Å; L472-L476 HydrophobicContact CG-CD1 3.89Å; L472-L476 WeakPolarHBondContact O-CB 3.34Å; L472-L476 WeakPolarHBondContact O-CD1 3.28Å; L472-L476 WeakPolarHBondContact O-CG 3.44Å; L472-L476 PolarHBondContact O-N 3.43Å; V473-L476 PolarHBondContact O-N 3.26Å; V473-L476 VanDerWaalsContact O-N 3.14Å; N474-L476 PolarHBondContact O-N 3Å; L476-L478 PolarHBondContact O-N 3.48Å; L476-L479 HydrophobicContact CD2-CD1 3.9Å; L476-L479 PolarHBondContact O-N 3.02Å; L476-L484 HydrophobicContact CB-CD2 4.16Å; L476-L484 HydrophobicContact CD2-CD2 4.13Å; L476-L484 WeakPolarHBondContact O-CD2 3.14Å; L476-L487 HydrophobicContact CD2-CD1 3.82Å; L476-F494 HydrophobicContact CB-CE2 4.36Å; L476-F494 HydrophobicContact CD1-CD2 3.7Å; L476-F494 HydrophobicContact CD1-CE2 3.78Å; L476-F494 HydrophobicContact CD2-CD2 3.87Å; L476-F494 HydrophobicContact CD2-CE2 3.72Å; L476-F494 HydrophobicContact CG-CD2 4.37Å; L476-F494 HydrophobicContact CG-CE2 4.16Å; L476-V497 HydrophobicContact CD1-CG1 3.76Å; L476-V503 HydrophobicContact CB-CG1 3.73Å
477L80.5Confident78.1Confident65 Ų6564.8 Ų64.834%0.3436%0.36SS..Hα-helixtrans-65.9-26.5172.3-73.2174.7000112.7V473 N474 L479 V503 R504 A506V473-L477 HydrophobicContact CG1-CD1 3.89Å; V473-L477 HydrophobicContact CG1-CG 4.12Å; V473-L477 VanDerWaalsContact O-CG 3.28Å; V473-L477 WeakPolarHBondContact O-CG 3.28Å; V473-L477 PolarHBondContact O-N 3.34Å; N474-L477 PolarHBondContact O-N 2.98Å; L477-L479 VanDerWaalsContact C-N 3.34Å; L477-V503 HydrophobicContact CD2-CG1 4.06Å; L477-V503 HydrophobicContact CG-CG1 4.43Å; L477-R504 WeakPolarHBondContact CA-O 3.37Å; L477-R504 HydrophobicContact CD2-CB 4.19Å; L477-R504 VanDerWaalsContact CD2-N 3.26Å; L477-R504 VanDerWaalsContact CD2-O 3.31Å; L477-R504 WeakPolarHBondContact CD2-O 3.21Å; L477-A506 PolarHBondContact O-N 3.24Å
478L82.5Confident78Confident134 Ų13465.7 Ų65.770%0.70236%0.361SS*.THydrogen-bonded Turntrans-83.1-7.1178.6-66170.3000113.6N474 L475 L476N474-L478 WeakPolarHBondContact O-CG 3.44Å; N474-L478 PolarHBondContact O-N 3.48Å; L475-L478 PolarHBondContact O-N 3.33Å; L476-L478 PolarHBondContact O-N 3.48Å
479L81.2Confident77.2Confident53 Ų5367.9 Ų67.928%0.27738%0.377SS..SBendtrans-86148.3-178.9-68-179.9000112.5L476 L477 L484 L487 P505 A506L476-L479 HydrophobicContact CD2-CD1 3.9Å; L476-L479 PolarHBondContact O-N 3.02Å; L477-L479 VanDerWaalsContact C-N 3.34Å; L479-L484 HydrophobicContact CB-CD1 4.1Å; L479-L484 HydrophobicContact CB-CD2 3.97Å; L479-L484 HydrophobicContact CB-CG 3.76Å; L479-L484 HydrophobicContact CD1-CD2 4.03Å; L479-L484 WeakPolarHBondContact O-CD1 3.33Å; L479-L487 HydrophobicContact CD1-CD1 3.58Å; L479-P505 VanDerWaalsContact O-CA 3.28Å; L479-P505 WeakPolarHBondContact O-CA 3.22Å; L479-A506 PolarHBondContact O-N 3.41Å
480P69.8Low76.9Confident55 Ų5569.8 Ų69.836%0.35739%0.394SS..  trans-76.2162.7174.531.7-35.7000112.8Q482 S483 L484 D507P480-Q482 PolarHBondContact O-N 3.35Å; P480-S483 PolarHBondContact O-N 2.65Å; P480-L484 PolarHBondContact O-N 3.27Å; P480-D507 WeakPolarHBondContact CA-OD1 3.41Å
481T67.9Low76.6Confident58 Ų5865.6 Ų65.636%0.35638%0.377SS..Hα-helixtrans-49.2-43.318047.80000112.6L484 A485 P505 D507T481-L484 PolarHBondContact O-N 2.62Å; T481-A485 WeakPolarHBondContact O-CB 3.31Å; T481-A485 PolarHBondContact O-N 3.17Å; T481-P505 HydrophobicContact CG2-CB 3.84Å; T481-P505 HydrophobicContact CG2-CG 3.72Å; T481-D507 WeakPolarHBondContact CB-OD2 3.37Å; T481-D507 WeakPolarHBondContact CG2-OD1 3.42Å; T481-D507 WeakPolarHBondContact CG2-OD2 3.19Å; T481-D507 VanDerWaalsContact N-CG 3.25Å; T481-D507 PolarHBondContact N-OD1 2.92Å; T481-D507 PolarHBondContact N-OD2 3.23Å; T481-D507 PolarHBondContact OG1-OD2 3.23Å
482Q68.4Low76.1Confident159 Ų15967 Ų6774%0.74340%0.395SS*.Hα-helixtrans-61.7-46.4179.2-174.2179.43.300112.2P480 A485 A486P480-Q482 PolarHBondContact O-N 3.35Å; Q482-A485 PolarHBondContact O-N 3.05Å; Q482-A486 WeakPolarHBondContact O-CB 3.47Å; Q482-A486 PolarHBondContact O-N 2.93Å
483S76.6Confident75.8Confident47 Ų4769.1 Ų69.133%0.32940%0.402SS..Hα-helixtrans-67.9-40.7179.8-60.90000111.7P480 A486 L487P480-S483 PolarHBondContact O-N 2.65Å; S483-A486 PolarHBondContact O-N 3.39Å; S483-L487 WeakPolarHBondContact O-CG 2.99Å; S483-L487 PolarHBondContact O-N 2.89Å
484L75.8Confident75.4Confident14 Ų1468.6 Ų68.67%0.07340%0.399CS..Hα-helixtrans-70.5-33.8176.2-66.6164.9000111.9L476 L479 P480 T481 L487 K488 F494 P505L476-L484 HydrophobicContact CB-CD2 4.16Å; L476-L484 HydrophobicContact CD2-CD2 4.13Å; L476-L484 WeakPolarHBondContact O-CD2 3.14Å; L479-L484 HydrophobicContact CB-CD1 4.1Å; L479-L484 HydrophobicContact CB-CD2 3.97Å; L479-L484 HydrophobicContact CB-CG 3.76Å; L479-L484 HydrophobicContact CD1-CD2 4.03Å; L479-L484 WeakPolarHBondContact O-CD1 3.33Å; P480-L484 PolarHBondContact O-N 3.27Å; T481-L484 PolarHBondContact O-N 2.62Å; L484-L487 HydrophobicContact CD2-CD1 4.34Å; L484-L487 PolarHBondContact O-N 3Å; L484-K488 WeakPolarHBondContact O-CB 3.25Å; L484-K488 PolarHBondContact O-N 2.74Å; L484-F494 HydrophobicContact CB-CZ 4.1Å; L484-F494 HydrophobicContact CD2-CE1 4.44Å; L484-F494 HydrophobicContact CD2-CE2 3.65Å; L484-F494 HydrophobicContact CD2-CZ 3.37Å; L484-F494 HydrophobicContact CG-CZ 4.33Å; L484-F494 VanDerWaalsContact O-CE1 3.25Å; L484-F494 WeakPolarHBondContact O-CE1 3.42Å; L484-P505 VanDerWaalsContact CD1-CA 3.44Å; L484-P505 HydrophobicContact CD1-CB 3.65Å; L484-P505 HydrophobicContact CD1-CG 3.57Å
485A68.6Low75Confident55 Ų5569.3 Ų69.346%0.45540%0.397SS..Hα-helixtrans-66.1-39.7171.600000111.9T481 Q482 K488 C489T481-A485 WeakPolarHBondContact O-CB 3.31Å; T481-A485 PolarHBondContact O-N 3.17Å; Q482-A485 PolarHBondContact O-N 3.05Å; A485-K488 PolarHBondContact O-N 3.39Å; A485-C489 PolarHBondContact O-N 3.04Å; A485-C489 PolarHBondContact O-SG 3.34Å; A485-C489 VanDerWaalsContact O-SG 3.42Å
486A71.4Confident74.7Confident53 Ų5369.3 Ų69.344%0.43839%0.393SS..Hα-helixtrans-62.5-48.3172.800000111.3Q482 S483 K488 C489 T490Q482-A486 WeakPolarHBondContact O-CB 3.47Å; Q482-A486 PolarHBondContact O-N 2.93Å; S483-A486 PolarHBondContact O-N 3.39Å; A486-K488 VanDerWaalsContact C-N 3.31Å; A486-K488 PolarHBondContact O-N 2.99Å; A486-C489 WeakPolarHBondContact O-CA 3.5Å; A486-C489 WeakPolarHBondContact O-CB 3.46Å; A486-C489 PolarHBondContact O-N 2.82Å; A486-T490 PolarHBondContact O-N 2.9Å; A486-T490 PolarHBondContact O-OG1 3.46Å
487L76Confident74.4Confident42 Ų4268.7 Ų68.722%0.2239%0.39CS..Hα-helixtrans-59.9-36.5175.7-71.9167.8000112.7L476 L479 S483 L484 C489 T490 C491 F494L476-L487 HydrophobicContact CD2-CD1 3.82Å; L479-L487 HydrophobicContact CD1-CD1 3.58Å; S483-L487 WeakPolarHBondContact O-CG 2.99Å; S483-L487 PolarHBondContact O-N 2.89Å; L484-L487 HydrophobicContact CD2-CD1 4.34Å; L484-L487 PolarHBondContact O-N 3Å; L487-C489 PolarHBondContact O-N 3.48Å; L487-T490 PolarHBondContact O-N 2.91Å; L487-C491 WeakPolarHBondContact O-CB 3.29Å; L487-C491 PolarHBondContact O-N 3.36Å; L487-F494 HydrophobicContact CB-CD1 3.53Å; L487-F494 HydrophobicContact CB-CD2 4.49Å; L487-F494 HydrophobicContact CB-CE1 3.67Å; L487-F494 HydrophobicContact CB-CG 3.96Å; L487-F494 HydrophobicContact CB-CZ 4.26Å
488K73.7Confident74Confident78 Ų7866.1 Ų66.134%0.33938%0.377SS..Hα-helixtrans-65.9-19.8175-160168.2-174.3168.50112.7L484 A485 A486 F494 I498 D532L484-K488 WeakPolarHBondContact O-CB 3.25Å; L484-K488 PolarHBondContact O-N 2.74Å; A485-K488 PolarHBondContact O-N 3.39Å; A486-K488 VanDerWaalsContact C-N 3.31Å; A486-K488 PolarHBondContact O-N 2.99Å; K488-F494 HydrophobicContact CB-CD1 4.26Å; K488-F494 HydrophobicContact CB-CE1 4Å; K488-I498 HydrophobicContact CB-CD1 4.47Å; K488-I498 HydrophobicContact CD-CD1 3.82Å; K488-I498 HydrophobicContact CG-CD1 4.08Å; K488-D532 IonicContact NZ-OD1 2.85Å; K488-D532 PolarHBondContact NZ-OD1 3.07Å
489C69.4Low73.4Confident111 Ų11164.9 Ų64.975%0.7537%0.367SS*.Hα-helixtrans-96.8-27176.3-68.60000113.6A485 A486 L487A485-C489 PolarHBondContact O-N 3.04Å; A485-C489 PolarHBondContact O-SG 3.34Å; A485-C489 VanDerWaalsContact O-SG 3.42Å; A486-C489 WeakPolarHBondContact O-CA 3.5Å; A486-C489 WeakPolarHBondContact O-CB 3.46Å; A486-C489 PolarHBondContact O-N 2.82Å; L487-C489 PolarHBondContact O-N 3.48Å
490T71.5Confident73.2Confident115 Ų11566.7 Ų66.771%0.70638%0.377SS*.Hα-helixtrans-102.3-26.7-176.558.10000114.6A486 L487A486-T490 PolarHBondContact O-N 2.9Å; A486-T490 PolarHBondContact O-OG1 3.46Å; L487-T490 PolarHBondContact O-N 2.91Å
491C75Confident73.3Confident31 Ų3168.8 Ų68.821%0.20938%0.379CS..  trans-120.1111.6-172.2-173.80000112.2L487 Y493 F494L487-C491 WeakPolarHBondContact O-CB 3.29Å; L487-C491 PolarHBondContact O-N 3.36Å; C491-Y493 PolarHBondContact O-N 3.18Å; C491-F494 HydrophobicContact CB-CB 3.8Å; C491-F494 PolarHBondContact O-N 3.45Å; C491-F494 PolarHBondContact SG-N 3.23Å; C491-F494 VanDerWaalsContact SG-N 3.43Å
492S74.2Confident73.3Confident112 Ų11267.6 Ų67.678%0.78337%0.373SS*.Hα-helixtrans-63.9-37.217653.20000113K495S492-K495 WeakPolarHBondContact O-CB 3.34Å; S492-K495 PolarHBondContact O-N 2.8Å
493Y77.4Confident73.4Confident49 Ų4960.2 Ų60.219%0.19234%0.339CS..Hα-helixtrans-65.4-38.8176.1176-116.5000112.1L465 H469 L472 C491 K495 F496 V497L465-Y493 HydrophobicContact CD2-CD1 3.6Å; L465-Y493 HydrophobicContact CD2-CD2 3.77Å; L465-Y493 HydrophobicContact CD2-CE1 3.63Å; L465-Y493 HydrophobicContact CD2-CE2 3.83Å; L465-Y493 HydrophobicContact CD2-CG 3.66Å; H469-Y493 PolarHBondContact CD2-OH 2.83Å; H469-Y493 PolarHBondContact NE2-OH 3.31Å; L472-Y493 HydrophobicContact CD2-CE1 3.57Å; C491-Y493 PolarHBondContact O-N 3.18Å; Y493-K495 PolarHBondContact O-N 2.98Å; Y493-F496 HydrophobicContact CD2-CD1 4.28Å; Y493-F496 HydrophobicContact CE2-CD1 4.02Å; Y493-F496 HydrophobicContact CE2-CE1 4.41Å; Y493-F496 WeakPolarHBondContact O-CA 3.47Å; Y493-F496 WeakPolarHBondContact O-CB 3.49Å; Y493-F496 PolarHBondContact O-N 3.42Å; Y493-V497 HydrophobicContact CD1-CG2 4.11Å; Y493-V497 HydrophobicContact CE1-CG2 3.78Å; Y493-V497 HydrophobicContact CE2-CG2 4.21Å; Y493-V497 HydrophobicContact CG-CG2 4.47Å; Y493-V497 WeakPolarHBondContact O-CG2 3.2Å; Y493-V497 PolarHBondContact O-N 3.29Å
494F75.2Confident73Confident7 Ų761.1 Ų61.13%0.03134%0.335CS..Hα-helixtrans-62.9-28.4177.5174.2-106.6000113.1L476 L484 L487 K488 C491 V497 I498L476-F494 HydrophobicContact CB-CE2 4.36Å; L476-F494 HydrophobicContact CD1-CD2 3.7Å; L476-F494 HydrophobicContact CD1-CE2 3.78Å; L476-F494 HydrophobicContact CD2-CD2 3.87Å; L476-F494 HydrophobicContact CD2-CE2 3.72Å; L476-F494 HydrophobicContact CG-CD2 4.37Å; L476-F494 HydrophobicContact CG-CE2 4.16Å; L484-F494 HydrophobicContact CB-CZ 4.1Å; L484-F494 HydrophobicContact CD2-CE1 4.44Å; L484-F494 HydrophobicContact CD2-CE2 3.65Å; L484-F494 HydrophobicContact CD2-CZ 3.37Å; L484-F494 HydrophobicContact CG-CZ 4.33Å; L484-F494 VanDerWaalsContact O-CE1 3.25Å; L484-F494 WeakPolarHBondContact O-CE1 3.42Å; L487-F494 HydrophobicContact CB-CD1 3.53Å; L487-F494 HydrophobicContact CB-CD2 4.49Å; L487-F494 HydrophobicContact CB-CE1 3.67Å; L487-F494 HydrophobicContact CB-CG 3.96Å; L487-F494 HydrophobicContact CB-CZ 4.26Å; K488-F494 HydrophobicContact CB-CD1 4.26Å; K488-F494 HydrophobicContact CB-CE1 4Å; C491-F494 HydrophobicContact CB-CB 3.8Å; C491-F494 PolarHBondContact O-N 3.45Å; C491-F494 PolarHBondContact SG-N 3.23Å; C491-F494 VanDerWaalsContact SG-N 3.43Å; F494-V497 PolarHBondContact O-N 3.32Å; F494-I498 HydrophobicContact CD1-CD1 3.87Å; F494-I498 HydrophobicContact CD1-CG1 4.47Å; F494-I498 HydrophobicContact CE1-CD1 3.26Å; F494-I498 HydrophobicContact CE1-CG1 3.94Å; F494-I498 HydrophobicContact CE2-CD1 4.27Å; F494-I498 HydrophobicContact CE2-CG1 4.02Å; F494-I498 HydrophobicContact CZ-CD1 3.48Å; F494-I498 VanDerWaalsContact CZ-CD1 3.48Å; F494-I498 HydrophobicContact CZ-CG1 3.67Å; F494-I498 WeakPolarHBondContact O-CG1 3.47Å; F494-I498 PolarHBondContact O-N 2.98Å
495K72.2Confident72.6Confident106 Ų10661 Ų6146%0.46134%0.335SS..Hα-helixtrans-59.1-47.7168.8-176.4-163.6160.9-167.10111.5S492 Y493 V497 I498 E499S492-K495 WeakPolarHBondContact O-CB 3.34Å; S492-K495 PolarHBondContact O-N 2.8Å; Y493-K495 PolarHBondContact O-N 2.98Å; K495-V497 VanDerWaalsContact C-N 3.3Å; K495-V497 PolarHBondContact O-N 3.23Å; K495-I498 PolarHBondContact O-N 3.01Å; K495-E499 VanDerWaalsContact CE-CD 3.42Å; K495-E499 WeakPolarHBondContact CE-OE1 3.44Å; K495-E499 WeakPolarHBondContact CE-OE2 3.48Å; K495-E499 IonicContact NZ-OE1 3.42Å; K495-E499 WeakPolarHBondContact O-CG 3.45Å; K495-E499 PolarHBondContact O-N 3.34Å
496F79.1Confident72.4Confident97 Ų9761.7 Ų61.743%0.42534%0.34SS..Hα-helixtrans-61.8-38.6175.7169-87.5000111.4Y493 E499 N500Y493-F496 HydrophobicContact CD2-CD1 4.28Å; Y493-F496 HydrophobicContact CE2-CD1 4.02Å; Y493-F496 HydrophobicContact CE2-CE1 4.41Å; Y493-F496 WeakPolarHBondContact O-CA 3.47Å; Y493-F496 WeakPolarHBondContact O-CB 3.49Å; Y493-F496 PolarHBondContact O-N 3.42Å; F496-E499 PolarHBondContact O-N 3.08Å; F496-N500 VanDerWaalsContact CD2-ND2 3.26Å; F496-N500 WeakPolarHBondContact CD2-ND2 3.24Å; F496-N500 WeakPolarHBondContact CE2-ND2 3.16Å; F496-N500 WeakPolarHBondContact CZ-ND2 3.47Å; F496-N500 PolarHBondContact O-N 3.33Å; F496-N500 VanDerWaalsContact O-N 3.08Å; F496-N500 PolarHBondContact O-ND2 3.28Å
497V75.6Confident71.6Confident1 Ų161.8 Ų61.81%0.00633%0.334CS..Hα-helixtrans-64.6-42.4176.9178.80000111.8L472 V473 L476 Y493 F494 K495 Y501 V503L472-V497 HydrophobicContact CD2-CG1 4.18Å; L472-V497 HydrophobicContact CD2-CG2 3.69Å; V473-V497 HydrophobicContact CG2-CG1 4.28Å; L476-V497 HydrophobicContact CD1-CG1 3.76Å; Y493-V497 HydrophobicContact CD1-CG2 4.11Å; Y493-V497 HydrophobicContact CE1-CG2 3.78Å; Y493-V497 HydrophobicContact CE2-CG2 4.21Å; Y493-V497 HydrophobicContact CG-CG2 4.47Å; Y493-V497 WeakPolarHBondContact O-CG2 3.2Å; Y493-V497 PolarHBondContact O-N 3.29Å; F494-V497 PolarHBondContact O-N 3.32Å; K495-V497 VanDerWaalsContact C-N 3.3Å; K495-V497 PolarHBondContact O-N 3.23Å; V497-Y501 HydrophobicContact CG1-CD2 4.07Å; V497-Y501 WeakPolarHBondContact O-CB 3.4Å; V497-Y501 PolarHBondContact O-N 2.96Å; V497-V503 HydrophobicContact CG1-CG2 4.03Å
498I72.4Confident70.9Confident12 Ų1260.9 Ų60.96%0.06233%0.331CS..Hα-helixtrans-59.3-51.4171.6-68.9163.6000110.8K488 F494 K495 N500 S502 G531K488-I498 HydrophobicContact CB-CD1 4.47Å; K488-I498 HydrophobicContact CD-CD1 3.82Å; K488-I498 HydrophobicContact CG-CD1 4.08Å; F494-I498 HydrophobicContact CD1-CD1 3.87Å; F494-I498 HydrophobicContact CD1-CG1 4.47Å; F494-I498 HydrophobicContact CE1-CD1 3.26Å; F494-I498 HydrophobicContact CE1-CG1 3.94Å; F494-I498 HydrophobicContact CE2-CD1 4.27Å; F494-I498 HydrophobicContact CE2-CG1 4.02Å; F494-I498 HydrophobicContact CZ-CD1 3.48Å; F494-I498 VanDerWaalsContact CZ-CD1 3.48Å; F494-I498 HydrophobicContact CZ-CG1 3.67Å; F494-I498 WeakPolarHBondContact O-CG1 3.47Å; F494-I498 PolarHBondContact O-N 2.98Å; K495-I498 PolarHBondContact O-N 3.01Å; I498-N500 VanDerWaalsContact C-N 3.27Å; I498-N500 PolarHBondContact O-N 2.75Å; I498-S502 WeakPolarHBondContact O-CA 3.2Å; I498-S502 PolarHBondContact O-N 3.49Å; I498-G531 WeakPolarHBondContact CG2-O 3.21Å
499E71Confident69.7Low107 Ų10761.7 Ų61.750%0.534%0.339SS..Hα-helixtrans-65.9-25.7-171.5-74.6177.7169.900113.6K495 F496K495-E499 VanDerWaalsContact CE-CD 3.42Å; K495-E499 WeakPolarHBondContact CE-OE1 3.44Å; K495-E499 WeakPolarHBondContact CE-OE2 3.48Å; K495-E499 IonicContact NZ-OE1 3.42Å; K495-E499 WeakPolarHBondContact O-CG 3.45Å; K495-E499 PolarHBondContact O-N 3.34Å; F496-E499 PolarHBondContact O-N 3.08Å
500N75.5Confident68.8Low91 Ų9158.7 Ų58.749%0.48731%0.312SS..Hα-helixtrans-94.4-46.2175.6-69.6-82.6000113.1F496 I498F496-N500 VanDerWaalsContact CD2-ND2 3.26Å; F496-N500 WeakPolarHBondContact CD2-ND2 3.24Å; F496-N500 WeakPolarHBondContact CE2-ND2 3.16Å; F496-N500 WeakPolarHBondContact CZ-ND2 3.47Å; F496-N500 PolarHBondContact O-N 3.33Å; F496-N500 VanDerWaalsContact O-N 3.08Å; F496-N500 PolarHBondContact O-ND2 3.28Å; I498-N500 VanDerWaalsContact C-N 3.27Å; I498-N500 PolarHBondContact O-N 2.75Å
501Y73.3Confident67.5Low99 Ų9955.9 Ų55.939%0.38829%0.294SS..Hα-helixtrans-99.70.7-168.6-60.8-76000114.6H469 V473 V497 V503H469-Y501 HydrophobicContact CB-CE1 4.39Å; H469-Y501 HydrophobicContact CB-CE2 4.07Å; H469-Y501 WeakPolarHBondContact CB-OH 3.42Å; H469-Y501 AromaticContact CD2-CE2 3.95Å; H469-Y501 AromaticContact CG-CZ 3.89Å; H469-Y501 VanDerWaalsContact CG-OH 3.28Å; H469-Y501 PolarHBondContact ND1-OH 3.48Å; V473-Y501 VanDerWaalsContact CG2-CB 3.44Å; V473-Y501 HydrophobicContact CG2-CD1 3.98Å; V473-Y501 HydrophobicContact CG2-CD2 3.86Å; V473-Y501 HydrophobicContact CG2-CG 3.48Å; V473-Y501 VanDerWaalsContact CG2-CG 3.48Å; V497-Y501 HydrophobicContact CG1-CD2 4.07Å; V497-Y501 WeakPolarHBondContact O-CB 3.4Å; V497-Y501 PolarHBondContact O-N 2.96Å; Y501-V503 PolarHBondContact O-N 2.93Å
502S66.7Low66.3Low34 Ų3458.7 Ų58.724%0.23831%0.314CS..  trans56.732.3177-58.90000114.9I498 R504 P530I498-S502 WeakPolarHBondContact O-CA 3.2Å; I498-S502 PolarHBondContact O-N 3.49Å; S502-R504 PolarHBondContact O-N 3.32Å; S502-P530 WeakPolarHBondContact OG-CB 3.26Å; S502-P530 PolarHBondContact OG-O 2.83Å
503V70.6Confident65Low3 Ų355.1 Ų55.12%0.01829%0.286CS..  trans-51.3128.1-174-177.20000112.1V473 L476 L477 V497 Y501 V533V473-V503 HydrophobicContact CG1-CG2 4.46Å; V473-V503 HydrophobicContact CG2-CG2 4.32Å; L476-V503 HydrophobicContact CB-CG1 3.73Å; L477-V503 HydrophobicContact CD2-CG1 4.06Å; L477-V503 HydrophobicContact CG-CG1 4.43Å; V497-V503 HydrophobicContact CG1-CG2 4.03Å; Y501-V503 PolarHBondContact O-N 2.93Å; V503-V533 WeakPolarHBondContact O-CG2 3.34Å
504R67.7Low63.6Low67 Ų6757.4 Ų57.425%0.25331%0.307SS..  trans-110.2134.7177.4-65.8-175.8179.4-95.97.3112.2L477 S502 V533L477-R504 WeakPolarHBondContact CA-O 3.37Å; L477-R504 HydrophobicContact CD2-CB 4.19Å; L477-R504 VanDerWaalsContact CD2-N 3.26Å; L477-R504 VanDerWaalsContact CD2-O 3.31Å; L477-R504 WeakPolarHBondContact CD2-O 3.21Å; S502-R504 PolarHBondContact O-N 3.32Å; R504-V533 HydrophobicContact CB-CG1 4.42Å; R504-V533 HydrophobicContact CG-CG1 4.06Å
505P67.6Low62.2Low10 Ų1063.3 Ų63.37%0.06533%0.329CS..  trans-57.7147.5168.1-20.124.9000113.9L479 T481 L484 D507 S508 V533L479-P505 VanDerWaalsContact O-CA 3.28Å; L479-P505 WeakPolarHBondContact O-CA 3.22Å; T481-P505 HydrophobicContact CG2-CB 3.84Å; T481-P505 HydrophobicContact CG2-CG 3.72Å; L484-P505 VanDerWaalsContact CD1-CA 3.44Å; L484-P505 HydrophobicContact CD1-CB 3.65Å; L484-P505 HydrophobicContact CD1-CG 3.57Å; P505-D507 VanDerWaalsContact C-N 3.29Å; P505-D507 WeakPolarHBondContact CB-OD1 3.22Å; P505-D507 PolarHBondContact O-N 3.28Å; P505-S508 VanDerWaalsContact O-CB 3.29Å; P505-S508 WeakPolarHBondContact O-CB 3.16Å; P505-S508 PolarHBondContact O-N 3.36Å; P505-S508 PolarHBondContact O-OG 3.14Å; P505-V533 HydrophobicContact CG-CB 4.44Å; P505-V533 HydrophobicContact CG-CG2 4.5Å
506A64.4Low61.1Low70 Ų7058.9 Ų58.958%0.57931%0.31SS*.THydrogen-bonded Turntrans-63.3-34.7175.500000112.9L477 L479 S508L477-A506 PolarHBondContact O-N 3.24Å; L479-A506 PolarHBondContact O-N 3.41Å; A506-S508 VanDerWaalsContact C-N 3.27Å; A506-S508 PolarHBondContact O-N 3.3Å
507D55.1Low59.7Low55 Ų5560.9 Ų60.929%0.29431%0.314SS..THydrogen-bonded Turntrans-83.77.9173.765-29000113.2P480 T481 P505 L509P480-D507 WeakPolarHBondContact CA-OD1 3.41Å; T481-D507 WeakPolarHBondContact CB-OD2 3.37Å; T481-D507 WeakPolarHBondContact CG2-OD1 3.42Å; T481-D507 WeakPolarHBondContact CG2-OD2 3.19Å; T481-D507 VanDerWaalsContact N-CG 3.25Å; T481-D507 PolarHBondContact N-OD1 2.92Å; T481-D507 PolarHBondContact N-OD2 3.23Å; T481-D507 PolarHBondContact OG1-OD2 3.23Å; P505-D507 VanDerWaalsContact C-N 3.29Å; P505-D507 WeakPolarHBondContact CB-OD1 3.22Å; P505-D507 PolarHBondContact O-N 3.28Å; D507-L509 PolarHBondContact O-N 3.44Å
508S60.9Low58.4Low24 Ų2465.7 Ų65.717%0.16834%0.34CS..  trans-75.389.7174.468.30000110.8P505 A506 W510P505-S508 VanDerWaalsContact O-CB 3.29Å; P505-S508 WeakPolarHBondContact O-CB 3.16Å; P505-S508 PolarHBondContact O-N 3.36Å; P505-S508 PolarHBondContact O-OG 3.14Å; A506-S508 VanDerWaalsContact C-N 3.27Å; A506-S508 PolarHBondContact O-N 3.3Å; S508-W510 PolarHBondContact O-N 3.34Å
509L48.4Very low57.3Low95 Ų9566.8 Ų66.850%0.49735%0.346SS..  trans-68.444.1172-60.3164.6000112.2D507 D573 N574D507-L509 PolarHBondContact O-N 3.44Å; L509-D573 WeakPolarHBondContact CB-OD1 3.42Å; L509-D573 WeakPolarHBondContact CD1-OD1 3.39Å; L509-N574 PolarHBondContact O-N 3.13Å
510W50.3Low56.2Low48 Ų4864 Ų6418%0.18234%0.337CS..  trans-105.7120.4-177.5-75.342.6000108.1S508 S512 Y516 V533S508-W510 PolarHBondContact O-N 3.34Å; W510-S512 PolarHBondContact O-N 3.33Å; W510-Y516 AromaticContact CD2-CE1 3.91Å; W510-Y516 HydrophobicContact CD2-CE1 3.91Å; W510-Y516 AromaticContact CE3-CD1 3.81Å; W510-Y516 HydrophobicContact CE3-CD1 3.81Å; W510-Y516 AromaticContact CE3-CE1 3.28Å; W510-Y516 HydrophobicContact CE3-CE1 3.28Å; W510-Y516 HydrophobicContact CH2-CE1 4.48Å; W510-Y516 HydrophobicContact CZ3-CD1 4.25Å; W510-Y516 AromaticContact CZ3-CE1 3.62Å; W510-Y516 HydrophobicContact CZ3-CE1 3.62Å; W510-V533 HydrophobicContact CD2-CG1 4.26Å; W510-V533 HydrophobicContact CE3-CG1 4.2Å; W510-V533 WeakPolarHBondContact CZ2-O 3.06Å; W510-V533 HydrophobicContact CZ3-CG1 4.45Å
511V45.6Very low55.1Low55 Ų5559.9 Ų59.933%0.33332%0.315SS..  trans-64.6123.8178-176.40000109.7D513 Y516 R575V511-D513 HydrophobicContact CG1-CB 3.84Å; V511-D513 PolarHBondContact O-N 2.81Å; V511-Y516 WeakPolarHBondContact O-CB 3.12Å; V511-R575 HydrophobicContact CG2-CB 4.44Å; V511-R575 HydrophobicContact CG2-CG 4.34Å
512S48.2Very low54Low90 Ų9060.8 Ų60.863%0.62932%0.321SS*.  trans-68.911.6-179.6-61.80000115.3W510W510-S512 PolarHBondContact O-N 3.33Å
513D48.1Very low52.8Low38 Ų3864 Ų6420%0.20333%0.333CS..  trans-58.3133.3177.9-173.6-48.3000110.3V511 R515 Y516V511-D513 HydrophobicContact CG1-CB 3.84Å; V511-D513 PolarHBondContact O-N 2.81Å; D513-R515 PolarHBondContact O-N 3.22Å; D513-R515 VanDerWaalsContact O-N 3.11Å; D513-R515 WeakPolarHBondContact OD1-CB 3.1Å; D513-R515 VanDerWaalsContact OD1-CG 3.25Å; D513-R515 WeakPolarHBondContact OD1-CG 3.37Å; D513-R515 PolarHBondContact OD1-N 2.67Å; D513-R515 IonicContact OD1-NE 3.11Å; D513-R515 PolarHBondContact OD1-NE 3.03Å; D513-R515 IonicContact OD2-CZ 3.35Å; D513-R515 VanDerWaalsContact OD2-CZ 3.25Å; D513-R515 IonicContact OD2-NE 3.02Å; D513-R515 PolarHBondContact OD2-NE 2.82Å; D513-R515 IonicContact OD2-NH2 3.75Å; D513-R515 PolarHBondContact OD2-NH2 3.06Å; D513-Y516 VanDerWaalsContact O-CB 3.23Å; D513-Y516 WeakPolarHBondContact O-CB 3.47Å; D513-Y516 PolarHBondContact O-N 3.01Å
514P48.3Very low51.8Low96 Ų9665.7 Ų65.762%0.62334%0.344SS*.G310 helixtrans-49.8-36.5176.3-29.736.4000113.9Y516 R517P514-Y516 PolarHBondContact O-N 3.11Å; P514-Y516 VanDerWaalsContact O-N 3.13Å; P514-R517 WeakPolarHBondContact O-CB 3.46Å; P514-R517 PolarHBondContact O-N 2.9Å
515R45.4Very low51.1Low132 Ų13270.8 Ų70.850%0.49837%0.368SS..G310 helixtrans-61-21.6178-60.8175.8-71.1-179.31113.3D513 W576D513-R515 PolarHBondContact O-N 3.22Å; D513-R515 VanDerWaalsContact O-N 3.11Å; D513-R515 WeakPolarHBondContact OD1-CB 3.1Å; D513-R515 VanDerWaalsContact OD1-CG 3.25Å; D513-R515 WeakPolarHBondContact OD1-CG 3.37Å; D513-R515 PolarHBondContact OD1-N 2.67Å; D513-R515 IonicContact OD1-NE 3.11Å; D513-R515 PolarHBondContact OD1-NE 3.03Å; D513-R515 IonicContact OD2-CZ 3.35Å; D513-R515 VanDerWaalsContact OD2-CZ 3.25Å; D513-R515 IonicContact OD2-NE 3.02Å; D513-R515 PolarHBondContact OD2-NE 2.82Å; D513-R515 IonicContact OD2-NH2 3.75Å; D513-R515 PolarHBondContact OD2-NH2 3.06Å; R515-W576 VanDerWaalsContact NH1-CZ3 3.31Å
516Y49.3Very low50.4Low13 Ų1376.5 Ų76.55%0.05139%0.392CS..G310 helixtrans-77-29.1176.1-151.7-74.5000112.6W510 V511 D513 P514 D518 D519 K541 W554 N574W510-Y516 AromaticContact CD2-CE1 3.91Å; W510-Y516 HydrophobicContact CD2-CE1 3.91Å; W510-Y516 AromaticContact CE3-CD1 3.81Å; W510-Y516 HydrophobicContact CE3-CD1 3.81Å; W510-Y516 AromaticContact CE3-CE1 3.28Å; W510-Y516 HydrophobicContact CE3-CE1 3.28Å; W510-Y516 HydrophobicContact CH2-CE1 4.48Å; W510-Y516 HydrophobicContact CZ3-CD1 4.25Å; W510-Y516 AromaticContact CZ3-CE1 3.62Å; W510-Y516 HydrophobicContact CZ3-CE1 3.62Å; V511-Y516 WeakPolarHBondContact O-CB 3.12Å; D513-Y516 VanDerWaalsContact O-CB 3.23Å; D513-Y516 WeakPolarHBondContact O-CB 3.47Å; D513-Y516 PolarHBondContact O-N 3.01Å; P514-Y516 PolarHBondContact O-N 3.11Å; P514-Y516 VanDerWaalsContact O-N 3.13Å; Y516-D518 PolarHBondContact O-N 2.93Å; Y516-D518 VanDerWaalsContact O-N 3.16Å; Y516-D519 PolarHBondContact O-N 3.24Å; Y516-K541 PolarHBondContact OH-NZ 2.94Å; Y516-W554 AromaticContact CD2-CH2 3.75Å; Y516-W554 HydrophobicContact CD2-CH2 3.75Å; Y516-W554 HydrophobicContact CD2-CZ3 4.21Å; Y516-W554 AromaticContact CE2-CH2 3.2Å; Y516-W554 HydrophobicContact CE2-CH2 3.2Å; Y516-W554 HydrophobicContact CE2-CZ2 4.26Å; Y516-W554 AromaticContact CE2-CZ3 3.46Å; Y516-W554 HydrophobicContact CE2-CZ3 3.46Å; Y516-W554 VanDerWaalsContact CE2-CZ3 3.46Å; Y516-W554 AromaticContact CZ-CH2 3.8Å; Y516-N574 HydrophobicContact CE2-CB 3.49Å; Y516-N574 VanDerWaalsContact CE2-CB 3.49Å; Y516-N574 WeakPolarHBondContact OH-CB 3.25Å; Y516-N574 PolarHBondContact OH-OD1 3.15Å
517R49.9Very low49.9Very low138 Ų13881.5 Ų81.552%0.52140%0.396SS..THydrogen-bonded Turntrans-66.1-21.7-170.7-57.1-177.279.8168.65113.2P514P514-R517 WeakPolarHBondContact O-CB 3.46Å; P514-R517 PolarHBondContact O-N 2.9Å
518D48.4Very low49.8Very low103 Ų10380.9 Ų80.955%0.55139%0.39SS*.THydrogen-bonded Turntrans-107.2-1.7-173.5-80.9-74.4000115.4Y516 P520 R527Y516-D518 PolarHBondContact O-N 2.93Å; Y516-D518 VanDerWaalsContact O-N 3.16Å; D518-P520 WeakPolarHBondContact O-CD 3.23Å; D518-P520 VanDerWaalsContact O-N 3.15Å; D518-R527 IonicContact OD1-NH1 3.23Å; D518-R527 PolarHBondContact OD1-NH1 2.82Å
519D48.2Very low49.2Very low34 Ų3488.9 Ų88.918%0.18242%0.416CS..  trans-64.6108.3-178.6179.944.3000111.6Y516 Y528 K541 W554Y516-D519 PolarHBondContact O-N 3.24Å; D519-Y528 WeakPolarHBondContact O-CD2 3.25Å; D519-K541 WeakPolarHBondContact OD2-CE 3.19Å; D519-K541 IonicContact OD2-NZ 2.73Å; D519-K541 PolarHBondContact OD2-NZ 3.16Å; D519-W554 HydrophobicContact CB-CZ2 4.43Å; D519-W554 VanDerWaalsContact OD2-CZ2 3.3Å; D519-W554 WeakPolarHBondContact OD2-CZ2 3.48Å
520P47.3Very low49Very low50 Ų5087.6 Ų87.633%0.32541%0.414SS..  trans-77.8143.7179.333.6-32.1000109.9D518 K522 K526 R527D518-P520 WeakPolarHBondContact O-CD 3.23Å; D518-P520 VanDerWaalsContact O-N 3.15Å; P520-K522 PolarHBondContact O-N 2.94Å; P520-K526 WeakPolarHBondContact CA-O 3.46Å; P520-R527 HydrophobicContact CB-CG 4.26Å
521C54.1Low48.6Very low4 Ų485.9 Ų85.93%0.02741%0.41CS..  trans-57.3115.6174.8175.40000110.7Q523 C524 K525 K526 Y528 C536C521-Q523 PolarHBondContact O-N 2.93Å; C521-C524 VanDerWaalsContact CB-SG 3.52Å; C521-C524 PolarHBondContact O-N 3.18Å; C521-C524 VanDerWaalsContact SG-SG 3.66Å; C521-K525 VanDerWaalsContact O-CA 3.25Å; C521-K525 WeakPolarHBondContact O-CA 3.42Å; C521-K525 PolarHBondContact O-N 3.16Å; C521-K526 PolarHBondContact N-O 3.26Å; C521-K526 VanDerWaalsContact N-O 3.07Å; C521-Y528 HydrophobicContact CB-CE2 4.15Å; C521-C536 HydrophobicContact CB-CB 4.15Å; C521-C536 VanDerWaalsContact SG-CB 3.57Å
522K48.9Very low48.6Very low118 Ų11885.9 Ų85.951%0.51341%0.408SS..THydrogen-bonded Turntrans-54.2-29.8-175.3-71.1-167.1177.3-174.70114.3P520P520-K522 PolarHBondContact O-N 2.94Å
523Q42.4Very low48.4Very low101 Ų10182.4 Ų82.447%0.47238%0.384SS..THydrogen-bonded Turntrans-85.7-43.2-179.1-73.6-171.7-25.900114.2C521 H539 P542C521-Q523 PolarHBondContact O-N 2.93Å; Q523-H539 HydrophobicContact CB-CB 4.11Å; Q523-H539 VanDerWaalsContact OE1-CB 3.31Å; Q523-H539 PolarHBondContact OE1-CD2 2.75Å; Q523-P542 HydrophobicContact CG-CG 4.23Å
524C48.3Very low48.1Very low38 Ų3883.1 Ų83.126%0.25739%0.392SS..THydrogen-bonded Turntrans-100.6-2179.670.40000115.2C521 K526 C536C521-C524 VanDerWaalsContact CB-SG 3.52Å; C521-C524 PolarHBondContact O-N 3.18Å; C521-C524 VanDerWaalsContact SG-SG 3.66Å; C524-K526 HydrophobicContact CB-CG 4.39Å; C524-K526 PolarHBondContact O-N 2.89Å; C524-C536 PolarHBondContact SG-SG 3.47Å
525K53.5Low48.2Very low175 Ų17583.2 Ų83.276%0.76139%0.386SS*.  trans54.58.3-175.8-58.9-178.2-178.4177.90115.6C521 R527C521-K525 VanDerWaalsContact O-CA 3.25Å; C521-K525 WeakPolarHBondContact O-CA 3.42Å; C521-K525 PolarHBondContact O-N 3.16Å; K525-R527 PolarHBondContact O-N 3.07Å
526K53.6Low48.1Very low130 Ų13077.6 Ų77.657%0.56537%0.367SS*.PPolyproline II helixtrans-66.1118.8175.2-67.1-173.5176.1-172.70109.1P520 C521 C524 Y528P520-K526 WeakPolarHBondContact CA-O 3.46Å; C521-K526 PolarHBondContact N-O 3.26Å; C521-K526 VanDerWaalsContact N-O 3.07Å; C524-K526 HydrophobicContact CB-CG 4.39Å; C524-K526 PolarHBondContact O-N 2.89Å; K526-Y528 PolarHBondContact O-N 2.88Å
527R54.5Low47.6Very low174 Ų17486.4 Ų86.466%0.65740%0.4SS*.PPolyproline II helixtrans-62.9125.1155.1-69.2178.1175.9-91.71.1107D518 P520 K525D518-R527 IonicContact OD1-NH1 3.23Å; D518-R527 PolarHBondContact OD1-NH1 2.82Å; P520-R527 HydrophobicContact CB-CG 4.26Å; K525-R527 PolarHBondContact O-N 3.07Å
528Y52.7Low46.9Very low43 Ų4388.5 Ų88.517%0.16941%0.408CS..PPolyproline II helixtrans-68.4149.4171-62.6-77.2000109.3D519 C521 K526 D532 C536D519-Y528 WeakPolarHBondContact O-CD2 3.25Å; C521-Y528 HydrophobicContact CB-CE2 4.15Å; K526-Y528 PolarHBondContact O-N 2.88Å; Y528-D532 HydrophobicContact CD1-CB 3.8Å; Y528-D532 HydrophobicContact CG-CB 4.35Å; Y528-C536 HydrophobicContact CE1-CB 4.47Å; Y528-C536 WeakPolarHBondContact OH-CA 3.47Å; Y528-C536 WeakPolarHBondContact OH-CB 2.83Å; Y528-C536 PolarHBondContact OH-N 2.04Å
529R48.3Very low46.5Very low192 Ų19286.2 Ų86.273%0.72539%0.394SS*.PPolyproline II helixtrans-82.8151.1162.8-74.6-170.4171.1-169.2-3.6109G531 D532R529-G531 PolarHBondContact O-N 3.33Å; R529-G531 VanDerWaalsContact O-N 3.15Å; R529-D532 PolarHBondContact O-N 3.27Å
530P43Very low46.1Very low68 Ų6891.3 Ų91.344%0.44242%0.417SS..THydrogen-bonded Turntrans-48123167.2-28.737.4000110.3S502S502-P530 WeakPolarHBondContact OG-CB 3.26Å; S502-P530 PolarHBondContact OG-O 2.83Å
531G42.6Very low45.9Very low11 Ų1191.7 Ų91.711%0.11341%0.413CS..THydrogen-bonded Turntrans103.9-15.1-171.600000116.2I498 R529 V533I498-G531 WeakPolarHBondContact CG2-O 3.21Å; R529-G531 PolarHBondContact O-N 3.33Å; R529-G531 VanDerWaalsContact O-N 3.15Å; G531-V533 WeakPolarHBondContact O-CG2 3.42Å; G531-V533 PolarHBondContact O-N 3.1Å
532D45.1Very low45Very low55 Ų5594.2 Ų94.229%0.29443%0.429SS..  trans-8174.1169.1-84.7-40.1000111.2K488 Y528 R529 S534K488-D532 IonicContact NZ-OD1 2.85Å; K488-D532 PolarHBondContact NZ-OD1 3.07Å; Y528-D532 HydrophobicContact CD1-CB 3.8Å; Y528-D532 HydrophobicContact CG-CB 4.35Å; R529-D532 PolarHBondContact O-N 3.27Å; D532-S534 VanDerWaalsContact C-N 3.28Å
533V44.8Very low44.5Very low18 Ų1895.3 Ų95.311%0.10943%0.431CS..  trans-81.4-5.7176.6-116.10000113.3V503 R504 P505 W510 G531 L535V503-V533 WeakPolarHBondContact O-CG2 3.34Å; R504-V533 HydrophobicContact CB-CG1 4.42Å; R504-V533 HydrophobicContact CG-CG1 4.06Å; P505-V533 HydrophobicContact CG-CB 4.44Å; P505-V533 HydrophobicContact CG-CG2 4.5Å; W510-V533 HydrophobicContact CD2-CG1 4.26Å; W510-V533 HydrophobicContact CE3-CG1 4.2Å; W510-V533 WeakPolarHBondContact CZ2-O 3.06Å; W510-V533 HydrophobicContact CZ3-CG1 4.45Å; G531-V533 WeakPolarHBondContact O-CG2 3.42Å; G531-V533 PolarHBondContact O-N 3.1Å; V533-L535 PolarHBondContact O-N 3.01Å
534S42.5Very low44.3Very low53 Ų5392.6 Ų92.637%0.37142%0.423SS..SBendtrans-69.6128165.754.50000109.7D532D532-S534 VanDerWaalsContact C-N 3.28Å
535L48.9Very low43.8Very low98 Ų9899.2 Ų99.251%0.51345%0.45SS..SBendtrans-38143.3150.1-63.6168.6000109.4V533 R537V533-L535 PolarHBondContact O-N 3.01Å; L535-R537 PolarHBondContact O-N 3.3Å
536C44.6Very low43.3Very low14 Ų1494.3 Ų94.310%0.09544%0.443CS..  trans-50.8125.2-171.1-171.60000110.5C521 C524 Y528 W538 H539C521-C536 HydrophobicContact CB-CB 4.15Å; C521-C536 VanDerWaalsContact SG-CB 3.57Å; C524-C536 PolarHBondContact SG-SG 3.47Å; Y528-C536 HydrophobicContact CE1-CB 4.47Å; Y528-C536 WeakPolarHBondContact OH-CA 3.47Å; Y528-C536 WeakPolarHBondContact OH-CB 2.83Å; Y528-C536 PolarHBondContact OH-N 2.04Å; C536-W538 PolarHBondContact O-N 3.01Å; C536-H539 HydrophobicContact CB-CB 4.06Å; C536-H539 WeakPolarHBondContact CB-O 3.08Å; C536-H539 CarbonylContact O-C 3.55Å; C536-H539 PolarHBondContact O-N 3.13Å
537R39.1Very low42.8Very low197 Ų19794 Ų9474%0.74345%0.446SS*.THydrogen-bonded Turntrans-54.1-6.4-177.7175.7164.315765-3.5115.1L535L535-R537 PolarHBondContact O-N 3.3Å
538W34.2Very low42.5Very low182 Ų18291.1 Ų91.169%0.68945%0.45SS*.THydrogen-bonded Turntrans-126.9-12.3179-55.5100.1000113.8C536C536-W538 PolarHBondContact O-N 3.01Å
539H39.9Very low42.1Very low55 Ų5599.8 Ų99.826%0.25548%0.484SS..  trans-148115.5-169.6-53.2109.1000111.9Q523 C536Q523-H539 HydrophobicContact CB-CB 4.11Å; Q523-H539 VanDerWaalsContact OE1-CB 3.31Å; Q523-H539 PolarHBondContact OE1-CD2 2.75Å; C536-H539 HydrophobicContact CB-CB 4.06Å; C536-H539 WeakPolarHBondContact CB-O 3.08Å; C536-H539 CarbonylContact O-C 3.55Å; C536-H539 PolarHBondContact O-N 3.13Å
540H39.1Very low41.6Very low142 Ų14292.7 Ų92.766%0.65747%0.471SS*.  trans-57.1142.3157.439.5-105.2000109.3P542H540-P542 WeakPolarHBondContact O-CD 3.39Å; H540-P542 VanDerWaalsContact O-N 3.15Å
541K44.6Very low41.4Very low58 Ų5895 Ų9525%0.25249%0.486SS..  trans-63.5113.4170.3-87.7-171.4171.5-173.20107.3Y516 D519 W554Y516-K541 PolarHBondContact OH-NZ 2.94Å; D519-K541 WeakPolarHBondContact OD2-CE 3.19Å; D519-K541 IonicContact OD2-NZ 2.73Å; D519-K541 PolarHBondContact OD2-NZ 3.16Å; K541-W554 VanDerWaalsContact NZ-CE2 3.26Å; K541-W554 VanDerWaalsContact NZ-CZ2 3.26Å
542P35Very low41.4Very low56 Ų5697.2 Ų97.236%0.36451%0.508SS..  trans-71.9139.6179.7-1430.6000109.5Q523 H540 C544Q523-P542 HydrophobicContact CG-CG 4.23Å; H540-P542 WeakPolarHBondContact O-CD 3.39Å; H540-P542 VanDerWaalsContact O-N 3.15Å; P542-C544 PolarHBondContact O-N 3.47Å; P542-C544 VanDerWaalsContact O-N 3.07Å
543Y38.8Very low41.1Very low141 Ų14197.7 Ų97.755%0.55351%0.507SS*.  trans-60.8110.8171.9-128.7-81.7000108.8Q545 C556 H572Y543-Q545 PolarHBondContact O-N 3.21Å; Y543-C556 HydrophobicContact CE2-CB 3.77Å; Y543-C556 WeakPolarHBondContact CE2-SG 3.21Å; Y543-C556 WeakPolarHBondContact OH-CB 3.3Å; Y543-H572 AromaticContact CE2-NE2 4Å
544C38.1Very low41.1Very low44 Ų4499 Ų9930%0.29751%0.51SS..  trans-85.5104.4173.6-67.30000108.7P542 A546 Y553P542-C544 PolarHBondContact O-N 3.47Å; P542-C544 VanDerWaalsContact O-N 3.07Å; C544-A546 PolarHBondContact O-N 2.71Å; C544-Y553 HydrophobicContact CB-CD1 3.57Å; C544-Y553 HydrophobicContact CB-CE1 4.06Å
545Q38Very low40.9Very low177 Ų177100.8 Ų100.883%0.82751%0.513SS*.PPolyproline II helixtrans-57.9134.8168.6-169.71726.600109.6Y543 L547Y543-Q545 PolarHBondContact O-N 3.21Å; Q545-L547 PolarHBondContact O-N 3.24Å
546A41.9Very low40.6Very low73 Ų7397.2 Ų97.260%0.60350%0.496SS*.PPolyproline II helixtrans-68.7126.6-175.100000111.1C544 Y553C544-A546 PolarHBondContact O-N 2.71Å; A546-Y553 HydrophobicContact CB-CD2 3.74Å; A546-Y553 HydrophobicContact CB-CE2 3.85Å; A546-Y553 HydrophobicContact CB-CG 4.39Å
547L43.6Very low40.4Very low123 Ų12397.8 Ų97.864%0.64450%0.5SS*.PPolyproline II helixtrans-88148.6167.3-64.5170.5000108.9Q545 Y549 Y553Q545-L547 PolarHBondContact O-N 3.24Å; L547-Y549 PolarHBondContact O-N 3.41Å; L547-Y549 VanDerWaalsContact O-N 3.11Å; L547-Y553 WeakPolarHBondContact CB-OH 3.49Å; L547-Y553 PolarHBondContact N-OH 2.86Å
548P47.4Very low40.5Very low114 Ų11494.6 Ų94.674%0.7449%0.493SS*.SBendtrans-66.1-16.5-171.924.3-34.2000114.7
549Y44.5Very low41Very low224 Ų22488.8 Ų88.888%0.87849%0.49SS*.SBendtrans-141.488.1179-57.4-78.5000110.1L547L547-Y549 PolarHBondContact O-N 3.41Å; L547-Y549 VanDerWaalsContact O-N 3.11Å
550G37.8Very low41.4Very low44 Ų4490.5 Ų90.545%0.45451%0.513SS..SBendtrans-174163.2-178.500000114.8
551P38.7Very low41.8Very low117 Ų11790.1 Ų90.176%0.7651%0.512SS*.SBendtrans-68.4149.1-175.928.1-35.1000113
552G42.5Very low42.1Very low56 Ų5696.2 Ų96.258%0.57753%0.533SS*.  trans-52.8154.4-163.800000117.6
553Y40Very low42.8Very low65 Ų6599.8 Ų99.826%0.25555%0.549SS..  trans-117150-166.7-60.1-78.8000112.7C544 A546 L547 M555C544-Y553 HydrophobicContact CB-CD1 3.57Å; C544-Y553 HydrophobicContact CB-CE1 4.06Å; A546-Y553 HydrophobicContact CB-CD2 3.74Å; A546-Y553 HydrophobicContact CB-CE2 3.85Å; A546-Y553 HydrophobicContact CB-CG 4.39Å; L547-Y553 WeakPolarHBondContact CB-OH 3.49Å; L547-Y553 PolarHBondContact N-OH 2.86Å; Y553-M555 PolarHBondContact O-N 2.74Å
554W43.5Very low43.1Very low46 Ų4694.6 Ų94.617%0.17454%0.536CS..  trans-72.2107169.9-67.4109.1000109.7Y516 D519 K541 N574 W576Y516-W554 AromaticContact CD2-CH2 3.75Å; Y516-W554 HydrophobicContact CD2-CH2 3.75Å; Y516-W554 HydrophobicContact CD2-CZ3 4.21Å; Y516-W554 AromaticContact CE2-CH2 3.2Å; Y516-W554 HydrophobicContact CE2-CH2 3.2Å; Y516-W554 HydrophobicContact CE2-CZ2 4.26Å; Y516-W554 AromaticContact CE2-CZ3 3.46Å; Y516-W554 HydrophobicContact CE2-CZ3 3.46Å; Y516-W554 VanDerWaalsContact CE2-CZ3 3.46Å; Y516-W554 AromaticContact CZ-CH2 3.8Å; D519-W554 HydrophobicContact CB-CZ2 4.43Å; D519-W554 VanDerWaalsContact OD2-CZ2 3.3Å; D519-W554 WeakPolarHBondContact OD2-CZ2 3.48Å; K541-W554 VanDerWaalsContact NZ-CE2 3.26Å; K541-W554 VanDerWaalsContact NZ-CZ2 3.26Å; W554-N574 HydrophobicContact CE3-CB 4.48Å; W554-N574 HydrophobicContact CZ3-CB 4.12Å; W554-W576 AromaticContact CH2-CD1 3.45Å; W554-W576 VanDerWaalsContact CH2-CD1 3.45Å; W554-W576 AromaticContact CH2-NE1 3.95Å; W554-W576 AromaticContact CZ3-CD1 3.61Å
555M38.4Very low43.2Very low91 Ų9197.7 Ų97.745%0.44856%0.556SS.*  trans-98.3109.9169.7-61.8-163.3-58.500109Y553Y553-M555 PolarHBondContact O-N 2.74Å
556C42.6Very low43.4Very low22 Ų2290.2 Ų90.215%0.14953%0.526CS..SBendtrans-72.3-38.8-176.4-62.50000112.9Y543 H572Y543-C556 HydrophobicContact CE2-CB 3.77Å; Y543-C556 WeakPolarHBondContact CE2-SG 3.21Å; Y543-C556 WeakPolarHBondContact OH-CB 3.3Å; C556-H572 HydrophobicContact CB-CB 3.5Å; C556-H572 VanDerWaalsContact SG-CB 3.55Å; C556-H572 PolarHBondContact SG-CD2 3.27Å
557C41.3Very low43.5Very low26 Ų2688.1 Ų88.118%0.17651%0.506CS..SBendtrans-139.7141.2173.7-53.30000106.6Q561 C567C557-Q561 WeakPolarHBondContact CB-O 3.32Å; C557-C567 HydrophobicContact CB-CB 4.37Å; C557-C567 WeakPolarHBondContact CB-SG 3.1Å; C557-C567 WeakPolarHBondContact SG-CB 3.38Å; C557-C567 CovalentContact SG-SG 2.04Å; C557-C567 PolarHBondContact SG-SG 2.78Å
558H41.3Very low43.5Very low130 Ų13087.8 Ų87.860%0.60251%0.505SS*.  trans-63.1140.9169.7-158.5-113.1000108A560 Q561H558-A560 PolarHBondContact O-N 3.06Å; H558-Q561 PolarHBondContact O-N 3.35Å
559G44.5Very low43.3Very low60 Ų6087.6 Ų87.662%0.61950%0.502SS*.THydrogen-bonded Turntrans-58.6-15.4-162.400000116.8
560A48.3Very low43.2Very low91 Ų9179.1 Ų79.175%0.75248%0.483SS*.THydrogen-bonded Turntrans-88.9-1.9176.500000115.1H558H558-A560 PolarHBondContact O-N 3.06Å
561Q46.9Very low43.2Very low135 Ų13581.6 Ų81.663%0.63149%0.485SS*.  trans-129.859.7178.8-70.6-174.7-15.800110.7C557 H558C557-Q561 WeakPolarHBondContact CB-O 3.32Å; H558-Q561 PolarHBondContact O-N 3.35Å
562R50.8Low43.5Very low185 Ų18578.3 Ų78.370%0.69846%0.46SS*.THydrogen-bonded Turntrans-68.9-28.7175-65.7-173.8179.7-152.6-0.4112.1A564 C567R562-A564 PolarHBondContact O-N 2.81Å; R562-C567 WeakPolarHBondContact O-CB 3.32Å
563D49.8Very low43.4Very low131 Ų13179.4 Ų79.470%0.70145%0.452SS*.THydrogen-bonded Turntrans-82.9-0.6-173.8-41-77.2000113.1N568D563-N568 PolarHBondContact O-ND2 2.98Å
564A45.8Very low43.5Very low33 Ų3377.3 Ų77.327%0.27345%0.445SS..SBendtrans-55.7133.717100000109.7R562 G566 C567 N568R562-A564 PolarHBondContact O-N 2.81Å; A564-G566 VanDerWaalsContact C-N 3.29Å; A564-G566 PolarHBondContact O-N 3.2Å; A564-G566 VanDerWaalsContact O-N 3.14Å; A564-C567 WeakPolarHBondContact O-CA 3.49Å; A564-C567 WeakPolarHBondContact O-CB 3.41Å; A564-C567 PolarHBondContact O-N 3Å; A564-N568 PolarHBondContact O-N 3.32Å
565P40.1Very low43.3Very low109 Ų10984.2 Ų84.271%0.70847%0.472SS*.Hα-helixtrans-57.5-39.7-166.417.8-30.8000113.2C567 N568 V569P565-C567 VanDerWaalsContact C-N 3.28Å; P565-C567 PolarHBondContact O-N 3.07Å; P565-N568 PolarHBondContact O-N 3.03Å; P565-N568 VanDerWaalsContact O-N 3.13Å; P565-V569 VanDerWaalsContact O-CG2 3.24Å; P565-V569 WeakPolarHBondContact O-CG2 3.46Å; P565-V569 PolarHBondContact O-N 2.92Å
566G41.7Very low43.1Very low20 Ų2085.3 Ų85.321%0.20647%0.471CS..Hα-helixtrans-60.7-31.3174.500000114.4A564 G570 L571A564-G566 VanDerWaalsContact C-N 3.29Å; A564-G566 PolarHBondContact O-N 3.2Å; A564-G566 VanDerWaalsContact O-N 3.14Å; G566-G570 CarbonylContact O-C 3.51Å; G566-G570 PolarHBondContact O-N 2.99Å; G566-L571 CarbonylContact C-O 3.55Å; G566-L571 WeakPolarHBondContact CA-O 3.16Å; G566-L571 CarbonylContact O-C 3.57Å; G566-L571 VanDerWaalsContact O-C 3.28Å; G566-L571 PolarHBondContact O-N 3.49Å; G566-L571 VanDerWaalsContact O-O 3.09Å
567C44.7Very low42.7Very low28 Ų2887.4 Ų87.419%0.18948%0.483CS..Hα-helixtrans-67.6-38.2173.8-107.60000112.5C557 R562 A564 P565 G570C557-C567 HydrophobicContact CB-CB 4.37Å; C557-C567 WeakPolarHBondContact CB-SG 3.1Å; C557-C567 WeakPolarHBondContact SG-CB 3.38Å; C557-C567 CovalentContact SG-SG 2.04Å; C557-C567 PolarHBondContact SG-SG 2.78Å; R562-C567 WeakPolarHBondContact O-CB 3.32Å; A564-C567 WeakPolarHBondContact O-CA 3.49Å; A564-C567 WeakPolarHBondContact O-CB 3.41Å; A564-C567 PolarHBondContact O-N 3Å; P565-C567 VanDerWaalsContact C-N 3.28Å; P565-C567 PolarHBondContact O-N 3.07Å; C567-G570 PolarHBondContact O-N 3.38Å
568N42Very low42.4Very low116 Ų11690 Ų9062%0.6250%0.499SS*.Hα-helixtrans-74.2-27.7-176.6-72.9-36.1000114.2D563 A564 P565D563-N568 PolarHBondContact O-ND2 2.98Å; A564-N568 PolarHBondContact O-N 3.32Å; P565-N568 PolarHBondContact O-N 3.03Å; P565-N568 VanDerWaalsContact O-N 3.13Å
569V43.2Very low42.1Very low110 Ų11087 Ų8767%0.66750%0.497SS*.THydrogen-bonded Turntrans-95.62.6171.5-85.70000114.2P565 L571P565-V569 VanDerWaalsContact O-CG2 3.24Å; P565-V569 WeakPolarHBondContact O-CG2 3.46Å; P565-V569 PolarHBondContact O-N 2.92Å; V569-L571 HydrophobicContact CG2-CB 4.07Å; V569-L571 HydrophobicContact CG2-CD1 4.29Å; V569-L571 PolarHBondContact O-N 3.07Å
570G42.7Very low41.6Very low47 Ų4791.2 Ų91.249%0.48550%0.498SS..THydrogen-bonded Turntrans67.710.6-17500000114.5G566 C567 H572G566-G570 CarbonylContact O-C 3.51Å; G566-G570 PolarHBondContact O-N 2.99Å; C567-G570 PolarHBondContact O-N 3.38Å; G570-H572 PolarHBondContact O-N 3.01Å
571L39.4Very low41.1Very low95 Ų9594.6 Ų94.650%0.49750%0.498SS..  trans-90.280.2175.3-91.7158.8000108.9G566 V569G566-L571 CarbonylContact C-O 3.55Å; G566-L571 WeakPolarHBondContact CA-O 3.16Å; G566-L571 CarbonylContact O-C 3.57Å; G566-L571 VanDerWaalsContact O-C 3.28Å; G566-L571 PolarHBondContact O-N 3.49Å; G566-L571 VanDerWaalsContact O-O 3.09Å; V569-L571 HydrophobicContact CG2-CB 4.07Å; V569-L571 HydrophobicContact CG2-CD1 4.29Å; V569-L571 PolarHBondContact O-N 3.07Å
572H43.6Very low40.9Very low49 Ų4992.6 Ų92.623%0.22750%0.499CS..  trans-86.8128.9-169-65.2-41.9000113.5Y543 C556 G570 N574Y543-H572 AromaticContact CE2-NE2 4Å; C556-H572 HydrophobicContact CB-CB 3.5Å; C556-H572 VanDerWaalsContact SG-CB 3.55Å; C556-H572 PolarHBondContact SG-CD2 3.27Å; G570-H572 PolarHBondContact O-N 3.01Å; H572-N574 PolarHBondContact O-N 3.04Å; H572-N574 PolarHBondContact O-ND2 3.11Å
573D40Very low40.6Very low79 Ų7989.9 Ų89.942%0.42250%0.497SS..  trans-59.6118.1169.8-79.21.2000110.1L509 R575L509-D573 WeakPolarHBondContact CB-OD1 3.42Å; L509-D573 WeakPolarHBondContact CD1-OD1 3.39Å; D573-R575 PolarHBondContact O-N 3.18Å
574N43.3Very low39.9Very low21 Ų2191.3 Ų91.311%0.11251%0.505CS..  trans-8750.7-177.1-59.5-96.2000111.1L509 Y516 W554 H572 W576L509-N574 PolarHBondContact O-N 3.13Å; Y516-N574 HydrophobicContact CE2-CB 3.49Å; Y516-N574 VanDerWaalsContact CE2-CB 3.49Å; Y516-N574 WeakPolarHBondContact OH-CB 3.25Å; Y516-N574 PolarHBondContact OH-OD1 3.15Å; W554-N574 HydrophobicContact CE3-CB 4.48Å; W554-N574 HydrophobicContact CZ3-CB 4.12Å; H572-N574 PolarHBondContact O-N 3.04Å; H572-N574 PolarHBondContact O-ND2 3.11Å; N574-W576 PolarHBondContact O-N 3.14Å
575R38.2Very low39.4Very low191 Ų19194.2 Ų94.272%0.72152%0.519SS*.  trans-75.4109.1-174-156.3170-171.6170.42.1110.5V511 D573 V577V511-R575 HydrophobicContact CG2-CB 4.44Å; V511-R575 HydrophobicContact CG2-CG 4.34Å; D573-R575 PolarHBondContact O-N 3.18Å; R575-V577 PolarHBondContact O-N 3.38Å
576W36.1Very low39Very low113 Ų11394 Ų9443%0.42852%0.517SS..  trans-72.391.3-176.1-146.785.8000111.1R515 W554 N574 P578R515-W576 VanDerWaalsContact NH1-CZ3 3.31Å; W554-W576 AromaticContact CH2-CD1 3.45Å; W554-W576 VanDerWaalsContact CH2-CD1 3.45Å; W554-W576 AromaticContact CH2-NE1 3.95Å; W554-W576 AromaticContact CZ3-CD1 3.61Å; N574-W576 PolarHBondContact O-N 3.14Å; W576-P578 WeakPolarHBondContact O-CD 3.46Å
577V34.1Very low38.7Very low66 Ų66100.2 Ų100.240%0.454%0.544SS..  trans-80.9121.7172.8-1690000108.4R575 F580R575-V577 PolarHBondContact O-N 3.38Å; V577-F580 HydrophobicContact CG1-CD2 4.06Å; V577-F580 HydrophobicContact CG1-CE2 3.64Å
578P33.3Very low38.3Very low81 Ų81109.1 Ų109.153%0.52658%0.575SS.*  trans-56.9147.3170.4-22.934.3000110.8W576 F580W576-P578 WeakPolarHBondContact O-CD 3.46Å; P578-F580 PolarHBondContact O-N 2.96Å
579A35.5Very low38Very low66 Ų66113.8 Ų113.855%0.54558%0.584SS.*  trans-62.2110.1176.200000110.2H581A579-H581 VanDerWaalsContact C-N 3.31Å; A579-H581 PolarHBondContact O-N 2.92Å; A579-H581 PolarHBondContact O-ND1 2.85Å
580F34.8Very low37.6Very low149 Ų149118 Ų11865%0.65459%0.588SS**  trans-60.688.5175.9-83.2-80.6000111V577 P578 I583V577-F580 HydrophobicContact CG1-CD2 4.06Å; V577-F580 HydrophobicContact CG1-CE2 3.64Å; P578-F580 PolarHBondContact O-N 2.96Å; F580-I583 HydrophobicContact CD1-CD1 4.24Å; F580-I583 HydrophobicContact CD1-CG1 4.37Å; F580-I583 HydrophobicContact CE1-CD1 4.48Å
581H37.6Very low37.1Very low163 Ų163121.6 Ų121.676%0.75560%0.596SS**  trans-68.9138.5151.9-62.369.4000106.5A579A579-H581 VanDerWaalsContact C-N 3.31Å; A579-H581 PolarHBondContact O-N 2.92Å; A579-H581 PolarHBondContact O-ND1 2.85Å
582S42.5Very low37.1Very low92 Ų92126.1 Ų126.164%0.64361%0.608SS**SBendtrans57.682.2-170.858.90000116.7
583I44.7Very low36.6Very low129 Ų129130.7 Ų130.766%0.66263%0.63SS**SBendtrans-120.9-42131.4-67.8-175.4000109.4F580F580-I583 HydrophobicContact CD1-CD1 4.24Å; F580-I583 HydrophobicContact CD1-CG1 4.37Å; F580-I583 HydrophobicContact CE1-CD1 4.48Å
584N35.6Very low36.5Very low160 Ų160136.9 Ų136.986%0.85665%0.648SS**SBendtrans-111.457.1174.9-71.8-40.8000112.8
585V33.8Very low36.1Very low95 Ų95143.4 Ų143.458%0.57668%0.678SS**  trans-104.9116.7155177.60000105.8I587V585-I587 PolarHBondContact O-N 2.82Å
586P32.7Very low36.2Very low103 Ų103138.2 Ų138.267%0.66967%0.671SS**  trans-62.5114.916926.8-31.6000107Y588P586-Y588 PolarHBondContact O-N 2.89Å
587I35.7Very low36.4Very low152 Ų152140.1 Ų140.178%0.77969%0.69SS**  trans-61.3106171.8-60173.7000105.7V585 R589V585-I587 PolarHBondContact O-N 2.82Å; I587-R589 VanDerWaalsContact C-N 3.28Å; I587-R589 PolarHBondContact O-N 3.28Å
588Y36.6Very low36.6Very low214 Ų214149 Ų14984%0.83973%0.734SS**  trans-58.899.8166.1-96.9-89.5000106.7P586 R590P586-Y588 PolarHBondContact O-N 2.89Å; Y588-R590 PolarHBondContact O-N 3.32Å
589R35.9Very low36.7Very low215 Ų215152.5 Ų152.581%0.81174%0.744SS**  trans-55.1111.7164.9-80.8-170.6172.3-155.7-0105.8I587 N591I587-R589 VanDerWaalsContact C-N 3.28Å; I587-R589 PolarHBondContact O-N 3.28Å; R589-N591 PolarHBondContact O-N 3.09Å
590R34.2Very low36.8Very low197 Ų197157 Ų15774%0.74376%0.755SS**  trans-6691.7163.4177.1173.9-76.9155.6-4.1105.8Y588 Y592Y588-R590 PolarHBondContact O-N 3.32Å; R590-Y592 VanDerWaalsContact C-N 3.34Å; R590-Y592 HydrophobicContact CB-CE2 4.48Å; R590-Y592 HydrophobicContact CG-CD2 4.07Å; R590-Y592 HydrophobicContact CG-CE2 3.72Å; R590-Y592 PolarHBondContact O-N 3.02Å
591N32.7Very low36.9Very low123 Ų123157.4 Ų157.466%0.65876%0.76SS**  trans-61.3100.9171.5-85.22.5000107.5R589 H593R589-N591 PolarHBondContact O-N 3.09Å; N591-H593 PolarHBondContact O-N 3.26Å; N591-H593 VanDerWaalsContact O-N 3.09Å
592Y37.4Very low36.9Very low191 Ų191157.1 Ų157.175%0.74976%0.761SS**  trans-73.288.5154.7-75.6-87.4000106.4R590 Y594R590-Y592 VanDerWaalsContact C-N 3.34Å; R590-Y592 HydrophobicContact CB-CE2 4.48Å; R590-Y592 HydrophobicContact CG-CD2 4.07Å; R590-Y592 HydrophobicContact CG-CE2 3.72Å; R590-Y592 PolarHBondContact O-N 3.02Å; Y592-Y594 PolarHBondContact O-N 3.46Å; Y592-Y594 VanDerWaalsContact O-N 3.14Å
593H35.1Very low36.5Very low145 Ų145161.2 Ų161.267%0.67177%0.768SS**  trans-64.6108.2157.8-116.7-110.3000106.1N591 E595N591-H593 PolarHBondContact O-N 3.26Å; N591-H593 VanDerWaalsContact O-N 3.09Å; H593-E595 VanDerWaalsContact C-N 3.35Å; H593-E595 IonicContact CE1-OE1 2.67Å; H593-E595 IonicContact ND1-OE1 2.98Å; H593-E595 PolarHBondContact ND1-OE1 3.11Å; H593-E595 PolarHBondContact O-N 2.85Å
594Y37.7Very low36Very low208 Ų208163.3 Ų163.382%0.81678%0.775SS**  trans-78.996.6156-125.5-92.2000105.1Y592 S596Y592-Y594 PolarHBondContact O-N 3.46Å; Y592-Y594 VanDerWaalsContact O-N 3.14Å; Y594-S596 PolarHBondContact O-N 3.32Å
595E33.9Very low36Very low159 Ų159163.6 Ų163.674%0.74377%0.769SS**  trans-67.5115.2162.2-72.1-75.8111.800106.6H593H593-E595 VanDerWaalsContact C-N 3.35Å; H593-E595 IonicContact CE1-OE1 2.67Å; H593-E595 IonicContact ND1-OE1 2.98Å; H593-E595 PolarHBondContact ND1-OE1 3.11Å; H593-E595 PolarHBondContact O-N 2.85Å
596S40.9Very low36.2Very low81 Ų81168.8 Ų168.857%0.56678%0.784SS**  trans-135.3112.2162.7-64.10000105.5Y594Y594-S596 PolarHBondContact O-N 3.32Å
597D39.8Very low36.5Very low154 Ų154174.3 Ų174.382%0.82479%0.794SS**  -178.7144.5125.1-86.6-16.6000110.5
598L37.9Very low36.6Very low253 Ų253176.4 Ų176.4100%1.32580%0.795SS**  trans67.10168.5-59.8165.5000117.5

Retrieved 598 of 598 residues in 180 ms (Link to these results)