A0A096NBS8_PAPAN Loading...

Pre-mRNA 3'-end-processing factor FIP1

AlphaFold DB (F7HS24), UniProt , Accession A0A096NBS8, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 603 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
1M34.7Very low38.5Very low245 Ų245146.2 Ų146.2100%1.20784%0.836SS**  0137.10-66.6172.1171.900107.9
2S39.4Very low38.8Very low122 Ų122149.1 Ų149.185%0.85384%0.837SS**  cis-165.1129.6-21.6-157.40000109.5
3A34.8Very low39.2Very low101 Ų101151.4 Ų151.484%0.83584%0.844SS**  trans-175.4131.116400000107.9
4G39.9Very low39.3Very low75 Ų75150 Ų15077%0.77385%0.85SS**  cis102.367.1-14.100000115.7
5E39.3Very low38.8Very low176 Ų176145.3 Ų145.382%0.82285%0.848SS**  trans-155.6154158.9-133.3-178.4109.900112.3
6V40.3Very low38.3Very low108 Ų108141.1 Ų141.166%0.65585%0.846SS**  trans27.1119.1164.1-72.30000120.4
7E37.2Very low38.2Very low145 Ų145141.3 Ų141.368%0.67885%0.848SS**  57.7137.284-63.7-145.2117.400114
8R41.5Very low37.9Very low204 Ų204138.1 Ų138.177%0.7785%0.848SS**  cis177.6164.9-9.1-114.8-177.5166.7109.5-0.1103.2
9L41.9Very low37.4Very low163 Ų163133.7 Ų133.785%0.85383%0.833SS**  trans63.790.5174-57.3174.9000117.1
10V39.5Very low37.5Very low143 Ų143134 Ų13487%0.86783%0.829SS**  174.391.7128.91540000105.8
11S35Very low37.9Very low126 Ų126134.7 Ų134.788%0.88182%0.823SS**  trans-173.653.1170-79.20000110.6
12E41.9Very low38.5Very low181 Ų181131.1 Ų131.185%0.84680%0.803SS**  trans-116.2158.4156.5-73.1-17610100107.4
13L44.8Very low38.9Very low179 Ų179132.3 Ų132.394%0.93780%0.795SS**SBendtrans68.865.3-165.7-63.982.4000115.6
14S40.5Very low39.5Very low132 Ų132135.2 Ų135.292%0.92379%0.792SS**  trans-164.7126.4131.4-169.10000110.2
15G31.3Very low40.2Very low79 Ų79142.9 Ų142.981%0.81480%0.797SS**  trans143.455.2-178.600000114.6
16G30.3Very low40.7Very low79 Ų79141 Ų14181%0.81479%0.792SS**  trans-123.294.5175.800000111.3
17T37.6Very low40.9Very low144 Ų144145.8 Ų145.888%0.88380%0.8SS**  trans-132.882.1173.953.60000109.4
18G31.8Very low41.1Very low83 Ų83142.6 Ų142.686%0.85681%0.806SS**  trans-89.5157.6157.600000109.7
19G29.9Very low40.6Very low55 Ų55136.1 Ų136.157%0.56780%0.803SS**  cis-157.1136.7-7.200000108.2
20D38.9Very low40.7Very low139 Ų139133.1 Ų133.174%0.74379%0.793SS**  trans-123.961.9-175.7-169.210.8000108.2
21E45Very low40.9Very low150 Ų150136.8 Ų136.870%0.70179%0.791SS**  trans-117.8-0.5-172.564-169.2128.400113
22E47.1Very low40.8Very low170 Ų170137.4 Ų137.479%0.79479%0.785SS**SBendtrans-99.8-10.7-179.757.4-175.813200114.8
23E48.6Very low40.5Very low146 Ų146133.9 Ų133.968%0.68278%0.775SS**SBendtrans-88.1-25.1171.5-63.8-154.716900113.9W25 L26E23-W25 PolarHBondContact O-N 3.35Å; E23-L26 WeakPolarHBondContact O-CB 3.45Å; E23-L26 PolarHBondContact O-N 3.34Å
24E47.1Very low39.9Very low163 Ų163133.1 Ų133.176%0.76277%0.767SS**G310 helixtrans-69-35.4-173.4-169164.6-143.800113.2L26 Y27E24-L26 PolarHBondContact O-N 3.38Å; E24-L26 VanDerWaalsContact O-N 3.17Å; E24-Y27 PolarHBondContact O-N 3.38Å
25W53.9Low39.6Very low236 Ų236131.8 Ų131.889%0.89475%0.753SS**G310 helixtrans-67-13.6175.8-67.291.8000114E23E23-W25 PolarHBondContact O-N 3.35Å
26L51.7Low39.5Very low136 Ų136136.2 Ų136.271%0.71275%0.752SS**G310 helixtrans-85.7-16.5-177.4-163.562.1000113.3E23 E24E23-L26 WeakPolarHBondContact O-CB 3.45Å; E23-L26 PolarHBondContact O-N 3.34Å; E24-L26 PolarHBondContact O-N 3.38Å; E24-L26 VanDerWaalsContact O-N 3.17Å
27Y43Very low39.6Very low208 Ų208137.3 Ų137.382%0.81675%0.747SS**SBendtrans-12869.2179-78.5-79.8000111.6E24E24-Y27 PolarHBondContact O-N 3.38Å
28G42.5Very low39.4Very low78 Ų78136.7 Ų136.780%0.80474%0.739SS**  trans-60133.9-169.900000116.1
29G29.9Very low39.4Very low69 Ų69140.8 Ų140.871%0.71174%0.74SS**  trans171.5169.5159.100000112
30P44.5Very low39.8Very low99 Ų99144.3 Ų144.364%0.64375%0.75SS**  cis-125.9140-24.737.8-24.2000111.5
31W43.8Very low39.6Very low220 Ų220146.4 Ų146.483%0.83375%0.753SS**  trans47.1114175.265.9-87.6000116.8
32D33.1Very low39.1Very low140 Ų140145.9 Ų145.975%0.74976%0.755SS**  -153.9159.4119.8-132.9-28000111.7
33V35.9Very low38.6Very low106 Ų106145.7 Ų145.764%0.64276%0.758SS**  trans-125134.3174.4-179.50000106.8
34H31.3Very low37.8Very low164 Ų164145.6 Ų145.676%0.75976%0.763SS**  160.3139129.6-86.695.6000113.4
35V33.4Very low37.4Very low104 Ų104146.3 Ų146.363%0.6377%0.766SS**  trans61.1109.6147.3-179.90000118.7
36H29.8Very low36.3Very low171 Ų171142.9 Ų142.979%0.79277%0.765SS**  -142.3120.1105.4-115.1-74.7000109.9D38H36-D38 IonicContact CE1-OD2 3.31Å; H36-D38 PolarHBondContact CE1-OD2 3.49Å; H36-D38 VanDerWaalsContact CE1-OD2 3.31Å; H36-D38 IonicContact ND1-OD2 2.84Å; H36-D38 PolarHBondContact ND1-OD2 3.32Å
37S32.4Very low35.6Very low102 Ų102144.6 Ų144.671%0.71377%0.77SS**  trans-141.667.8-174.961.10000110.5
38D33.6Very low35.4Very low132 Ų132140.4 Ų140.471%0.70677%0.765SS**  trans-107.985.7-178.5-71.7-67.6000111.7H36H36-D38 IonicContact CE1-OD2 3.31Å; H36-D38 PolarHBondContact CE1-OD2 3.49Å; H36-D38 VanDerWaalsContact CE1-OD2 3.31Å; H36-D38 IonicContact ND1-OD2 2.84Å; H36-D38 PolarHBondContact ND1-OD2 3.32Å
39L32.7Very low34.9Very low169 Ų169145.7 Ų145.789%0.88577%0.769SS**  trans-152.787.3153.9-164.463.3000112
40T36.6Very low34.8Very low128 Ų128152.3 Ų152.379%0.78577%0.773SS**  trans-86.4129.7166.740.90000111
41K35.7Very low34.9Very low184 Ų184152.5 Ų152.580%0.877%0.774SS**  trans-172.7100149.2-106.6150.4-173.1174.90114
42D34.6Very low34.2Very low138 Ų138150.7 Ų150.774%0.73878%0.775SS**  62.8154127.5-43.5-19.2000121.8
43L37.1Very low34.2Very low166 Ų166152.6 Ų152.687%0.86978%0.779SS**  trans82.7136.1-180-52.1176.2000116.8
44D31.2Very low34.1Very low145 Ų145155.2 Ų155.278%0.77579%0.785SS**  cis-157.4167.7-26.6-158.43.4000109.2
45E38.9Very low33.8Very low178 Ų178154.2 Ų154.283%0.83279%0.785SS**  trans-81.2145-170.7-59.4174.6175.700114.9
46N30.1Very low33.7Very low163 Ų163153.1 Ų153.187%0.87279%0.787SS**  trans-164.7126.5143.8-151.876.2000112.9
47E38.5Very low33.5Very low173 Ų173151 Ų15181%0.80879%0.791SS**  trans-90.6177.4168.2-64.5-16413900112.3
48V37.3Very low33.3Very low120 Ų120150.8 Ų150.873%0.72780%0.795SS**  167.7120.5120.8154.70000113.5
49E32.1Very low32.9Very low188 Ų188152 Ų15288%0.87980%0.802SS**  trans65.4147.5146.7-69-175.8134.800126.6
50R28.7Very low33.3Very low208 Ų208149.7 Ų149.779%0.78580%0.797SS**  trans-112165.5166.9-146.3-178.263-1080.1106.3
51P45.1Very low33.3Very low104 Ų104148.6 Ų148.668%0.67579%0.792SS**  -135.3-145.176.222.33.6000110.1
52E30.6Very low32.9Very low182 Ų182145.4 Ų145.485%0.8579%0.793SS**  cis-139.1-159.76.3-68.4-179.811400110.4
53E33.5Very low32.6Very low179 Ų179142.3 Ų142.384%0.83679%0.794SS**  trans-141.8160.2-167.5-58.2178.4170.500111.9
54E32.4Very low32.4Very low162 Ų162141.2 Ų141.276%0.75779%0.787SS**  155.2128.9112.7-124.3-152.7124.400117.2
55N26.6Very low32.3Very low142 Ų142141.9 Ų141.976%0.75979%0.786SS**  trans66.5155.3137.6-120.1-38.8000127.9
56A29.8Very low31.9Very low82 Ų82141 Ų14168%0.67879%0.787SS**  trans87.474.6145.500000124.3
57S27.1Very low31.9Very low126 Ų126141.2 Ų141.288%0.88178%0.783SS**  46.9141.5117-155.90000125.2
58A27.3Very low31.4Very low97 Ų97138.1 Ų138.180%0.80278%0.776SS**  trans110.9142.4145.700000121.4
59N26Very low31.2Very low157 Ų157136.7 Ų136.784%0.8478%0.776SS**  trans-76.9174.4179.3-75.6-45000112.8
60P40.8Very low31.1Very low122 Ų122135.8 Ų135.879%0.79277%0.772SS**  cis-140.1-126.727.636.2-7.9000115.9
61P36.2Very low31.2Very low104 Ų104132.8 Ų132.868%0.67577%0.772SS**  -134.4-172.8-125.344.1-22.4000117.3
62S27.4Very low30.5Very low117 Ų117131.1 Ų131.182%0.81877%0.773SS**  trans60.3126.7151.8-58.70000120.8
63G28.2Very low30.6Very low74 Ų74129 Ų12976%0.76377%0.773SS**  trans-90.7115.2175.500000115
64I32.5Very low30.7Very low142 Ų142126.3 Ų126.373%0.72877%0.771SS**  trans25.7122130.2129152.8000120.1
65E30Very low30.8Very low160 Ų160127.9 Ų127.975%0.74878%0.775SS**  trans28.9127.914141.7-159.2-139.900120.8
66D30Very low31.9Very low160 Ų160127 Ų12786%0.85678%0.777SS**  62.6137.972.8-70.6-47.3000113.4
67E30.5Very low31.7Very low166 Ų166132.8 Ų132.878%0.77679%0.787SS**  cis-140.7-162.14.4-150.1-149.8-167.400107.6
68T28Very low32.1Very low108 Ų108132.7 Ų132.766%0.66378%0.781SS**  cis-155.3-179.19.7-41.70000108.6
69A32.6Very low32.2Very low90 Ų90134.7 Ų134.774%0.74478%0.783SS**  trans64.889.1158.700000117.2
70E30.2Very low32.8Very low169 Ų169135.7 Ų135.779%0.7978%0.783SS**  cis90.4114.348.1-158.5-152.8134.800115.1
71N30.9Very low32.5Very low146 Ų146136.9 Ų136.978%0.78179%0.788SS**  trans58.9143.4158-71.6-37.1000120.2
72G30.6Very low32.9Very low68 Ų68141.1 Ų141.170%0.70180%0.799SS**  cis-169.6171.60.400000113.5
73V32.6Very low33.7Very low139 Ų139142.9 Ų142.984%0.84280%0.799SS**  trans-109.5136.4-169.11640000111.1
74P35.9Very low34.8Very low122 Ų122146.9 Ų146.979%0.79280%0.803SS**  -149.3147.6110.236.1-18.1000117.4
75K34Very low35.4Very low194 Ų194145 Ų14584%0.84380%0.803SS**  trans-88.5-176.4155-55.2-179.3177.6179.90108.9
76P48.4Very low36.6Very low123 Ų123145.8 Ų145.880%0.79981%0.812SS**  cis-132-175.6-9.942.8-27.6000113.7
77K26.1Very low37.3Very low204 Ų204143.4 Ų143.489%0.88781%0.808SS**  -178.4170.5121.2-159.5156.8179.2-177.30111.6
78V35.6Very low38.7Very low125 Ų125143.4 Ų143.476%0.75881%0.813SS**  trans-112.7146.2-174.6-171.90000111
79T28.6Very low39.7Very low139 Ų139142.8 Ų142.885%0.85381%0.813SS**  trans-160.8162149.414.10000111.5
80E38.7Very low40.9Very low177 Ų177145.9 Ų145.983%0.82782%0.817SS**  trans-92.9160.8-177.1-53.1134138.100112.9
81T35.6Very low42.6Very low147 Ų147145 Ų14590%0.90282%0.818SS**  trans-160147.9131.836.20000110.4
82E44Very low43.8Very low193 Ų193145.6 Ų145.690%0.90282%0.821SS**  trans-84.2155.5166.7-57.9169.8153.100109.6
83D45.4Very low44.7Very low154 Ų154151.3 Ų151.382%0.82483%0.83SS**  trans-152.2135.9159.7-155.33.8000110.7
84D49.8Very low45.9Very low158 Ų158151.7 Ų151.785%0.84583%0.827SS**  trans-108.7135.6175.7-93.8-47.3000108
85S46.7Very low47Very low104 Ų104152.8 Ų152.873%0.72783%0.826SS**  trans-149.292.7173-81.30000112.4S87S85-S87 PolarHBondContact O-N 3.29Å
86D53.6Low48.6Very low176 Ų176149 Ų14994%0.94182%0.819SS**  trans-62.6119.9152.3-74.8-45.2000108.4
87S44.8Very low48.5Very low110 Ų110151.2 Ų151.277%0.76982%0.818SS**  trans-123.287.4175.4-174.90000109.9S85S85-S87 PolarHBondContact O-N 3.29Å
88D61.3Low49.7Very low165 Ų165147.3 Ų147.388%0.88281%0.812SS**  trans-84.8122.1171.6-146.211.3000107.9
89S48.7Very low50.2Low96 Ų96148 Ų14867%0.67182%0.816SS**  trans-149.484.8-170.8-172.70000111.8
90D58.1Low51.2Low155 Ų155148.6 Ų148.683%0.82981%0.812SS**  trans-64.4134.1160.3-69.6-45.8000109.4
91D65.1Low51.5Low151 Ų151142.9 Ų142.981%0.80780%0.801SS**  trans-131.8107.4179.4-170.225.7000108.9
92D56.4Low52Low158 Ų158143.8 Ų143.885%0.84580%0.801SS**  trans-135.747.3-159.3-118.3-13.1000111.1
93E49.5Very low51.9Low188 Ų188142.3 Ų142.388%0.87980%0.797SS**  trans-128.3108.3176.6-73.6-162.4-170.900114
94D57.8Low51.6Low146 Ų146144.2 Ų144.278%0.78180%0.798SS**  trans-148.847.3172.7-143-9.3000112.4V96D94-V96 PolarHBondContact O-N 3.25Å
95D59.3Low51.1Low145 Ų145144.1 Ų144.178%0.77580%0.803SS**  trans-85.468.3-169.3-155.125.2000113.3H97D95-H97 PolarHBondContact O-N 3.27Å; D95-H97 PolarHBondContact O-ND1 3.03Å
96V67.8Low50.5Low115 Ų115142.4 Ų142.470%0.69780%0.803SS**  trans-71.3115.8-169.6-73.30000115.5D94D94-V96 PolarHBondContact O-N 3.25Å
97H45.8Very low49.7Very low169 Ų169138.8 Ų138.878%0.78280%0.797SS**  trans-91.8117.7179.1-72.957.4000112.6D95D95-H97 PolarHBondContact O-N 3.27Å; D95-H97 PolarHBondContact O-ND1 3.03Å
98V51.1Low49.9Very low123 Ų123139 Ų13975%0.74580%0.796SS**  trans-105.5126.4-178.8-177.70000112I100V98-I100 HydrophobicContact CG1-CG1 4.13Å
99T47.1Very low48.9Very low140 Ų140139.3 Ų139.386%0.85979%0.792SS**  trans-111.8124.5173.4-54.30000110.3
100I48.8Very low48.1Very low150 Ų150145.9 Ų145.977%0.76980%0.804SS**  trans-110128.7-179.6-57178.2000109.4V98V98-I100 HydrophobicContact CG1-CG1 4.13Å
101G45.2Very low47Very low58 Ų58141.4 Ų141.460%0.59879%0.794SS**PPolyproline II helixtrans-99.1155.5177.100000113.7I103G101-I103 PolarHBondContact O-N 2.91Å
102D44.8Very low45.4Very low166 Ų166139.4 Ų139.489%0.88879%0.792SS**PPolyproline II helixtrans-65.1121.3-175.3-63.3-49.4000113.7
103I42.9Very low44.4Very low162 Ų162142.9 Ų142.983%0.83180%0.795SS**PPolyproline II helixtrans-97.4116.7173.6-29.6177.3000109.9G101G101-I103 PolarHBondContact O-N 2.91Å
104K39.1Very low44Very low194 Ų194137.4 Ų137.484%0.84379%0.789SS**PPolyproline II helixtrans-90.7120.7178.1-71175179.81700111.3
105T39.8Very low43.2Very low155 Ų155137.1 Ų137.195%0.95179%0.793SS**PPolyproline II helixtrans-73.3124.7-179.2-26.90000112.1
106G33.3Very low42.3Very low69 Ų69134.4 Ų134.471%0.71179%0.79SS**  trans-144.4144.5174.400000110.9
107A36.4Very low41.6Very low99 Ų99134 Ų13482%0.81879%0.791SS**  trans-80.1146.2-169.500000113.6
108P48.8Very low41.6Very low116 Ų116132.5 Ų132.575%0.75379%0.793SS**  trans-81.1147.8177.433-35000112.8
109Q40.3Very low41.2Very low170 Ų170133.3 Ų133.379%0.79479%0.793SS**  trans-142141.2167.3-72.1-66.1-83.200109.1
110Y32.6Very low41.2Very low235 Ų235134.1 Ų134.192%0.92279%0.791SS**  trans62.6143.7-177.6-85.2-107.4000116.8
111G34.3Very low40.7Very low61 Ų61132.2 Ų132.263%0.62978%0.783SS**  cis161.1124.5-12.900000114.3
112S32.8Very low40.5Very low109 Ų109136.9 Ų136.976%0.76279%0.792SS**  trans60.5143.7177.4-63.50000116.2
113Y34.8Very low40.3Very low230 Ų230137.2 Ų137.290%0.90279%0.785SS**  cis-132.9161.57.3-54.4-107000107.9
114G41.8Very low40.2Very low74 Ų74136.4 Ų136.476%0.76379%0.789SS**  cis170.256.32.600000113.6
115T40.3Very low40Very low140 Ų140130.9 Ų130.986%0.85979%0.786SS**  trans-139141.9171.1-60.30000109.7
116A39.5Very low39.9Very low87 Ų87126.8 Ų126.872%0.71978%0.775SS**  trans-90.9126.7-176.800000112.7
117P52.9Low40Very low108 Ų108135 Ų13570%0.70178%0.784SS**  trans-76.4131172.830.1-33.2000111.7N119P117-N119 PolarHBondContact O-N 3.18Å; P117-N119 PolarHBondContact O-ND2 3.28Å
118V47.8Very low39.9Very low136 Ų136135.1 Ų135.182%0.82478%0.775SS**  trans-76.5112.6175.8-78.80000111.3L120V118-L120 PolarHBondContact O-N 3.03Å
119N42.8Very low39.1Very low141 Ų141140.3 Ų140.375%0.75478%0.781SS**  trans-81.2102.7-179.1-76.5-80.3000111.6P117 N121P117-N119 PolarHBondContact O-N 3.18Å; P117-N119 PolarHBondContact O-ND2 3.28Å; N119-N121 PolarHBondContact O-N 3.03Å
120L45.1Very low38.7Very low156 Ų156135.9 Ų135.982%0.81778%0.781SS**  trans-73.189.2171.9-114.472.4000111V118 I122V118-L120 PolarHBondContact O-N 3.03Å; L120-I122 PolarHBondContact O-N 2.87Å
121N40Very low38.8Very low111 Ų111131 Ų13159%0.59478%0.776SS**  trans-84.972.6-168.1-163.1120.4000112.7N119 K123N119-N121 PolarHBondContact O-N 3.03Å; N121-K123 PolarHBondContact O-N 3.27Å
122I40.1Very low38.8Very low156 Ų156134.7 Ų134.780%0.879%0.786SS**  trans-61.9105.6175.5-59.6179.7000109.9L120 T124L120-I122 PolarHBondContact O-N 2.87Å; I122-T124 PolarHBondContact O-N 3.08Å
123K39.9Very low38.8Very low172 Ų172133 Ų13375%0.74879%0.786SS**  trans-83.9113-179.2-77.3139.3178.7170.80110.4N121 G125N121-K123 PolarHBondContact O-N 3.27Å; K123-G125 PolarHBondContact O-N 3.48Å
124T42.1Very low38.8Very low146 Ų146128.7 Ų128.790%0.89678%0.783SS**  trans-68.278.1164.3-54.60000110.1I122I122-T124 PolarHBondContact O-N 3.08Å
125G34.5Very low38.6Very low77 Ų77134.5 Ų134.579%0.79479%0.788SS**  trans-83.7115.5173.400000110.9K123K123-G125 PolarHBondContact O-N 3.48Å
126G38.3Very low38.7Very low69 Ų69134.2 Ų134.271%0.71179%0.786SS**  trans-132.2121.3179.100000113.3
127R35.8Very low39.2Very low242 Ų242140.3 Ų140.391%0.91380%0.796SS**  trans163.3152.2162.1-99.2-176.4-167.9-127.94.2108.2
128V34.2Very low38.7Very low102 Ų102137.9 Ų137.962%0.61879%0.791SS**  cis-158.1159.3-41.7-95.10000105
129Y31.9Very low38.8Very low224 Ų224137.7 Ų137.788%0.87879%0.789SS**  cis-13217710.2-76.9-86.2000110.5
130G32.2Very low39.1Very low77 Ų77135.9 Ų135.979%0.79478%0.78SS**  trans169.992.6169.200000113.5
131T34.1Very low39.3Very low134 Ų134136 Ų13682%0.82278%0.781SS**  trans-80.2143.7170.747.20000110.5
132T33.8Very low39.8Very low138 Ų138138.2 Ų138.285%0.84779%0.793SS**  cis-156.1142.7-0.332.90000108.3
133G33.1Very low40.3Very low72 Ų72133.1 Ų133.174%0.74277%0.773SS**  trans-170.6131.8172.600000112.3K135G133-K135 PolarHBondContact O-N 3.37Å
134T35.8Very low40.8Very low140 Ų140127.6 Ų127.686%0.85976%0.755SS**  trans-71.3119.4-172.2-50.80000111.5V136T134-V136 PolarHBondContact O-N 2.83Å; T134-V136 VanDerWaalsContact O-N 3.11Å
135K36.1Very low41.2Very low196 Ų196123.1 Ų123.185%0.85274%0.738SS**  trans-73101.5175-73.2-168174.8-170.60111.3G133 K137G133-K135 PolarHBondContact O-N 3.37Å; K135-K137 PolarHBondContact O-N 2.86Å
136V42.1Very low42.1Very low135 Ų135123.3 Ų123.382%0.81873%0.727SS**  trans-71.2122157.8-161.30000107.3T134 G138T134-V136 PolarHBondContact O-N 2.83Å; T134-V136 VanDerWaalsContact O-N 3.11Å; V136-G138 VanDerWaalsContact C-N 3.29Å; V136-G138 PolarHBondContact O-N 3.44Å; V136-G138 VanDerWaalsContact O-N 3.15Å
137K51.6Low42.6Very low214 Ų214124.3 Ų124.393%0.9372%0.715SS**  trans-85.672.2173.3-79.9-173174.1-177.30110.1K135K135-K137 PolarHBondContact O-N 2.86Å
138G41.5Very low43.3Very low58 Ų58120.6 Ų120.660%0.59871%0.714SS**  trans-111.7143.7161.400000109.4V136V136-G138 VanDerWaalsContact C-N 3.29Å; V136-G138 PolarHBondContact O-N 3.44Å; V136-G138 VanDerWaalsContact O-N 3.15Å
139V50.6Low44.4Very low131 Ų131118.8 Ų118.879%0.79472%0.716SS**  trans-77.6122.6149.9175.80000104.8L141V139-L141 PolarHBondContact O-N 3.5Å
140D49.3Very low45.5Very low103 Ų103111.1 Ų111.155%0.55169%0.692SS**  trans-70.6118.8175.1-173.4-8.9000108.4D142 A143D140-D142 PolarHBondContact OD1-N 3.37Å; D140-A143 HydrophobicContact CB-CB 3.72Å; D140-A143 PolarHBondContact OD1-N 3.49Å
141L49.1Very low47Very low160 Ų160108.9 Ų108.984%0.83866%0.663SS**SBendtrans-86.2-17.2-179.4-68.8170.8000112.2V139V139-L141 PolarHBondContact O-N 3.5Å
142D49.6Very low48.2Very low157 Ų157106.8 Ų106.884%0.8465%0.646SS**SBendtrans-91.9-13.4175.4-62.5-46.6000111.5D140D140-D142 PolarHBondContact OD1-N 3.37Å
143A50.3Low49.2Very low48 Ų48102 Ų10240%0.39762%0.616SS.*SBendtrans-64.5125.7171.400000110.7D140 G145D140-A143 HydrophobicContact CB-CB 3.72Å; D140-A143 PolarHBondContact OD1-N 3.49Å; A143-G145 PolarHBondContact O-N 3.05Å; A143-G145 VanDerWaalsContact O-N 3.16Å
144P51.8Low50.3Low57 Ų57103.8 Ų103.837%0.3761%0.605SS.*PPolyproline II helixtrans-63.1122.7177.526.2-33.4000109.6S146 P151 L153P144-S146 PolarHBondContact O-N 3.04Å; P144-P151 HydrophobicContact CB-CB 4.49Å; P144-P151 HydrophobicContact CG-CB 4.35Å; P144-L153 HydrophobicContact CB-CD1 3.93Å
145G49.3Very low51.1Low52 Ų5298.5 Ų98.554%0.53657%0.572SS.*PPolyproline II helixtrans-50.9141.2176.800000111.1A143 L152A143-G145 PolarHBondContact O-N 3.05Å; A143-G145 VanDerWaalsContact O-N 3.16Å; G145-L152 VanDerWaalsContact O-CB 3.3Å; G145-L152 WeakPolarHBondContact O-CB 3.47Å; G145-L152 PolarHBondContact O-N 3.19Å
146S53.5Low52Low80 Ų8093.7 Ų93.756%0.55956%0.556SS**EExtended strand (participates in β ladder)trans-118.6141.1-177.6550000111.6P144 V150P144-S146 PolarHBondContact O-N 3.04Å; S146-V150 CarbonylContact C-O 3.53Å; S146-V150 WeakPolarHBondContact CA-O 3.49Å; S146-V150 WeakPolarHBondContact CB-O 3.38Å
147I49.8Very low52.6Low90 Ų9088.8 Ų88.846%0.46253%0.525SS..EExtended strand (participates in β ladder)trans-111.3129.5170.1-119.5171.1000106.9G149 V150 V155I147-G149 PolarHBondContact O-N 2.96Å; I147-V150 PolarHBondContact N-O 3.37Å; I147-V150 PolarHBondContact O-N 3.29Å; I147-V155 HydrophobicContact CG2-CG2 3.95Å
148N50.4Low52.8Low165 Ų16582.9 Ų82.988%0.88250%0.503SS*.THydrogen-bonded Turntrans51.424.3-174.8-58.2-30.1000115.2
149G56.5Low53.5Low64 Ų6484.5 Ų84.566%0.6651%0.505SS*.THydrogen-bonded Turntrans87.6-2.9-178.600000115.6I147I147-G149 PolarHBondContact O-N 2.96Å
150V56.1Low53.9Low62 Ų6282.5 Ų82.538%0.37649%0.486SS..EExtended strand (participates in β ladder)trans-94.7133.1172.7-177.30000109S146 I147 E154 V155S146-V150 CarbonylContact C-O 3.53Å; S146-V150 WeakPolarHBondContact CA-O 3.49Å; S146-V150 WeakPolarHBondContact CB-O 3.38Å; I147-V150 PolarHBondContact N-O 3.37Å; I147-V150 PolarHBondContact O-N 3.29Å; V150-E154 HydrophobicContact CG1-CB 3.82Å; V150-E154 WeakPolarHBondContact CG1-O 3.36Å; V150-V155 HydrophobicContact CB-CG2 4.28Å; V150-V155 HydrophobicContact CG1-CG2 4.15Å
151P63.5Low54.1Low30 Ų3087.4 Ų87.420%0.19551%0.506CS..EExtended strand (participates in β ladder)trans-56.3140.7173.8-23.633.6000111.4P144 L153 E154 V155P144-P151 HydrophobicContact CB-CB 4.49Å; P144-P151 HydrophobicContact CG-CB 4.35Å; P151-L153 PolarHBondContact O-N 3.03Å; P151-E154 HydrophobicContact CB-CB 4.37Å; P151-E154 HydrophobicContact CB-CG 4.43Å; P151-E154 CarbonylContact O-C 3.5Å; P151-E154 WeakPolarHBondContact O-CA 3.31Å; P151-E154 PolarHBondContact O-N 2.98Å; P151-V155 PolarHBondContact O-N 3.15Å; P151-V155 VanDerWaalsContact O-N 3.11Å
152L57.5Low54.5Low90 Ų9084.8 Ų84.847%0.47149%0.493SS..THydrogen-bonded Turntrans-56.4-24.4-175.7-172.765.6000114.1G145G145-L152 VanDerWaalsContact O-CB 3.3Å; G145-L152 WeakPolarHBondContact O-CB 3.47Å; G145-L152 PolarHBondContact O-N 3.19Å
153L56.6Low56Low38 Ų3878.4 Ų78.420%0.19946%0.458CS..THydrogen-bonded Turntrans-87.6-4.3177.5-58.287.5000113.8P144 P151 Q192P144-L153 HydrophobicContact CB-CD1 3.93Å; P151-L153 PolarHBondContact O-N 3.03Å; L153-Q192 HydrophobicContact CD2-CB 4.12Å; L153-Q192 HydrophobicContact CD2-CG 3.36Å
154E55.1Low57.3Low110 Ų11078.4 Ų78.451%0.51445%0.453SS..THydrogen-bonded Turntrans-116.5-0.3174.8-67.1173.8-165.300111.5V150 P151 D156V150-E154 HydrophobicContact CG1-CB 3.82Å; V150-E154 WeakPolarHBondContact CG1-O 3.36Å; P151-E154 HydrophobicContact CB-CB 4.37Å; P151-E154 HydrophobicContact CB-CG 4.43Å; P151-E154 CarbonylContact O-C 3.5Å; P151-E154 WeakPolarHBondContact O-CA 3.31Å; P151-E154 PolarHBondContact O-N 2.98Å; E154-D156 PolarHBondContact O-N 3.11Å; E154-D156 VanDerWaalsContact O-N 3.09Å
155V53.7Low58.8Low28 Ų2877.6 Ų77.617%0.1744%0.443CS..  trans-68.8103.9169.1173.20000108.1I147 V150 P151 L157 F160I147-V155 HydrophobicContact CG2-CG2 3.95Å; V150-V155 HydrophobicContact CB-CG2 4.28Å; V150-V155 HydrophobicContact CG1-CG2 4.15Å; P151-V155 PolarHBondContact O-N 3.15Å; P151-V155 VanDerWaalsContact O-N 3.11Å; V155-L157 PolarHBondContact O-N 3.23Å; V155-F160 HydrophobicContact CG1-CE2 3.69Å; V155-F160 HydrophobicContact CG1-CZ 3.96Å
156D54.8Low60.3Low96 Ų9682.3 Ų82.351%0.51345%0.445SS..  trans-66.5116.6171.6179.95.6000110E154 D158 S159E154-D156 PolarHBondContact O-N 3.11Å; E154-D156 VanDerWaalsContact O-N 3.09Å; D156-D158 VanDerWaalsContact C-N 3.28Å; D156-D158 PolarHBondContact O-N 2.97Å; D156-D158 PolarHBondContact OD1-N 3.2Å; D156-S159 WeakPolarHBondContact O-CB 3.38Å; D156-S159 PolarHBondContact O-N 3.35Å
157L54.6Low61.7Low31 Ų3183.5 Ų83.516%0.16244%0.439CS..G310 helixtrans-77.8-14.5-178.8-72.9158.6000113.2V155 S159 F160 K163 W185 K186V155-L157 PolarHBondContact O-N 3.23Å; L157-S159 VanDerWaalsContact C-N 3.26Å; L157-F160 HydrophobicContact CD2-CD2 4.15Å; L157-F160 HydrophobicContact CD2-CE2 4.02Å; L157-K163 WeakPolarHBondContact O-CE 3.44Å; L157-K163 PolarHBondContact O-NZ 3.26Å; L157-W185 HydrophobicContact CD1-CG 4.47Å; L157-K186 HydrophobicContact CD1-CG 4.49Å
158D54.2Low62.9Low91 Ų9185.7 Ų85.749%0.48746%0.46SS..G310 helixtrans-84.9-2.9169.7-66.1-52.3000112.3D156 F160 K163 K186D156-D158 VanDerWaalsContact C-N 3.28Å; D156-D158 PolarHBondContact O-N 2.97Å; D156-D158 PolarHBondContact OD1-N 3.2Å; D158-F160 VanDerWaalsContact C-N 3.34Å; D158-K163 IonicContact OD1-NZ 3.68Å; D158-K163 PolarHBondContact OD1-NZ 3.38Å; D158-K186 IonicContact OD1-NZ 3.2Å; D158-K186 PolarHBondContact OD1-NZ 3.47Å; D158-K186 WeakPolarHBondContact OD2-CE 3.47Å; D158-K186 IonicContact OD2-NZ 2.68Å; D158-K186 PolarHBondContact OD2-NZ 3.5Å
159S57.3Low64.3Low91 Ų9182.1 Ų82.164%0.63646%0.462SS*.G310 helixtrans-78.2-13.2168.5-154.40000113.8D156 L157 E161D156-S159 WeakPolarHBondContact O-CB 3.38Å; D156-S159 PolarHBondContact O-N 3.35Å; L157-S159 VanDerWaalsContact C-N 3.26Å; S159-E161 PolarHBondContact O-N 3.38Å
160F58.4Low65.6Low89 Ų8980.7 Ų80.739%0.3944%0.444SS..  trans-86.9106.8174.3-64.3-75.8000110.6V155 L157 D158 D162V155-F160 HydrophobicContact CG1-CE2 3.69Å; V155-F160 HydrophobicContact CG1-CZ 3.96Å; L157-F160 HydrophobicContact CD2-CD2 4.15Å; L157-F160 HydrophobicContact CD2-CE2 4.02Å; D158-F160 VanDerWaalsContact C-N 3.34Å; F160-D162 VanDerWaalsContact C-N 3.29Å; F160-D162 PolarHBondContact O-N 2.76Å
161E52.8Low66.8Low206 Ų20681.9 Ų81.996%0.96345%0.448SS*.SBendtrans-61-35.4179.6-61-178.3143.600112.9S159S159-E161 PolarHBondContact O-N 3.38Å
162D59Low67.6Low106 Ų10684.1 Ų84.157%0.56746%0.458SS*.  trans-109.9118.3178.5-146.4-22.6000108.7F160 P164 K167F160-D162 VanDerWaalsContact C-N 3.29Å; F160-D162 PolarHBondContact O-N 2.76Å; D162-P164 WeakPolarHBondContact O-CD 3.29Å; D162-K167 VanDerWaalsContact OD1-CE 3.28Å; D162-K167 WeakPolarHBondContact OD1-CE 3.43Å; D162-K167 IonicContact OD1-NZ 2.69Å; D162-K167 PolarHBondContact OD1-NZ 3.24Å; D162-K167 IonicContact OD2-NZ 3.17Å
163K80.5Confident68.8Low23 Ų2383.3 Ų83.310%0.146%0.46CS..  trans-115.594.4-179.2-68.7-177.4177.2-178.80109.6L157 D158 W165 R166 E182L157-K163 WeakPolarHBondContact O-CE 3.44Å; L157-K163 PolarHBondContact O-NZ 3.26Å; D158-K163 IonicContact OD1-NZ 3.68Å; D158-K163 PolarHBondContact OD1-NZ 3.38Å; K163-W165 VanDerWaalsContact C-N 3.26Å; K163-W165 HydrophobicContact CB-CD2 4.33Å; K163-W165 HydrophobicContact CB-CH2 4.44Å; K163-W165 HydrophobicContact CB-CZ2 3.89Å; K163-W165 HydrophobicContact CD-CZ2 3.95Å; K163-W165 HydrophobicContact CG-CH2 4.26Å; K163-W165 HydrophobicContact CG-CZ2 3.7Å; K163-W165 PolarHBondContact O-N 3.19Å; K163-R166 HydrophobicContact CB-CB 4.34Å; K163-R166 HydrophobicContact CB-CG 3.97Å; K163-R166 WeakPolarHBondContact O-CB 3.39Å; K163-R166 PolarHBondContact O-N 2.94Å; K163-E182 IonicContact NZ-OE1 2.65Å; K163-E182 PolarHBondContact NZ-OE1 2.85Å; K163-E182 IonicContact NZ-OE2 2.84Å
164P77.3Confident70.2Confident47 Ų4787.4 Ų87.431%0.30548%0.482SS..G310 helixtrans-57.7-35.9-171.5-28.236.5000114.3D162 R166 K167 Y175D162-P164 WeakPolarHBondContact O-CD 3.29Å; P164-R166 PolarHBondContact O-N 2.82Å; P164-R166 VanDerWaalsContact O-N 3.15Å; P164-K167 WeakPolarHBondContact O-CB 3.26Å; P164-K167 WeakPolarHBondContact O-CG 3.33Å; P164-K167 PolarHBondContact O-N 3.26Å; P164-K167 VanDerWaalsContact O-N 3.1Å; P164-Y175 HydrophobicContact CB-CE1 3.74Å; P164-Y175 WeakPolarHBondContact CB-OH 3.19Å; P164-Y175 HydrophobicContact CG-CE1 4.47Å
165W83.4Confident71.5Confident40 Ų4087.1 Ų87.115%0.15248%0.477CS..G310 helixtrans-66.2-7.617658.485.9000114.9K163 L172 Y175 F176 E182K163-W165 VanDerWaalsContact C-N 3.26Å; K163-W165 HydrophobicContact CB-CD2 4.33Å; K163-W165 HydrophobicContact CB-CH2 4.44Å; K163-W165 HydrophobicContact CB-CZ2 3.89Å; K163-W165 HydrophobicContact CD-CZ2 3.95Å; K163-W165 HydrophobicContact CG-CH2 4.26Å; K163-W165 HydrophobicContact CG-CZ2 3.7Å; K163-W165 PolarHBondContact O-N 3.19Å; W165-L172 HydrophobicContact CB-CD2 4.21Å; W165-Y175 HydrophobicContact CB-CD1 4.46Å; W165-Y175 HydrophobicContact CB-CD2 3.6Å; W165-Y175 HydrophobicContact CB-CE2 4.08Å; W165-Y175 HydrophobicContact CB-CG 3.82Å; W165-Y175 AromaticContact CE3-CD1 3.86Å; W165-Y175 HydrophobicContact CE3-CD1 3.86Å; W165-Y175 HydrophobicContact CE3-CE1 4.46Å; W165-Y175 HydrophobicContact CE3-CG 4.14Å; W165-F176 HydrophobicContact CB-CE2 4.21Å; W165-F176 AromaticContact CD1-CE2 3.84Å; W165-F176 HydrophobicContact CD2-CE2 4.01Å; W165-F176 HydrophobicContact CD2-CZ 4.27Å; W165-F176 AromaticContact CG-CE2 3.77Å; W165-F176 HydrophobicContact CG-CE2 3.77Å; W165-F176 HydrophobicContact CG-CZ 4.42Å; W165-E182 PolarHBondContact NE1-OE2 3.27Å
166R80.5Confident72.9Confident152 Ų15286.9 Ų86.957%0.57447%0.474SS*.G310 helixtrans-96.32.2172.6-63.4-170.9176-147.5-0.4113.5K163 P164 E182K163-R166 HydrophobicContact CB-CB 4.34Å; K163-R166 HydrophobicContact CB-CG 3.97Å; K163-R166 WeakPolarHBondContact O-CB 3.39Å; K163-R166 PolarHBondContact O-N 2.94Å; P164-R166 PolarHBondContact O-N 2.82Å; P164-R166 VanDerWaalsContact O-N 3.15Å; R166-E182 IonicContact CZ-OE1 3.13Å; R166-E182 IonicContact CZ-OE2 3.24Å; R166-E182 VanDerWaalsContact CZ-OE2 3.32Å; R166-E182 IonicContact NE-OE1 3.47Å; R166-E182 IonicContact NE-OE2 2.67Å; R166-E182 PolarHBondContact NE-OE2 3.24Å; R166-E182 IonicContact NH2-OE1 2.71Å; R166-E182 PolarHBondContact NH2-OE1 3.22Å; R166-E182 IonicContact NH2-OE2 2.95Å; R166-E182 PolarHBondContact NH2-OE2 3.32Å
167K83.2Confident74.1Confident104 Ų10487.8 Ų87.845%0.45248%0.479SS..SBendtrans-79.3141.7179.3-66.5177.9-179.8173.10110D162 P164 G169 A170D162-K167 VanDerWaalsContact OD1-CE 3.28Å; D162-K167 WeakPolarHBondContact OD1-CE 3.43Å; D162-K167 IonicContact OD1-NZ 2.69Å; D162-K167 PolarHBondContact OD1-NZ 3.24Å; D162-K167 IonicContact OD2-NZ 3.17Å; P164-K167 WeakPolarHBondContact O-CB 3.26Å; P164-K167 WeakPolarHBondContact O-CG 3.33Å; P164-K167 PolarHBondContact O-N 3.26Å; P164-K167 VanDerWaalsContact O-N 3.1Å; K167-G169 PolarHBondContact O-N 3.12Å; K167-A170 VanDerWaalsContact O-CB 3.31Å; K167-A170 WeakPolarHBondContact O-CB 3.15Å; K167-A170 PolarHBondContact O-N 3.38Å
168P76.6Confident75.3Confident137 Ų13796.9 Ų96.989%0.8951%0.512SS*.THydrogen-bonded Turntrans-61.7126.2-179.225.6-34.1000110.3
169G78.4Confident76.6Confident89 Ų8996.2 Ų96.292%0.91853%0.527SS*.THydrogen-bonded Turntrans85.54.5-175.600000115.4K167K167-G169 PolarHBondContact O-N 3.12Å
170A84.5Confident77.6Confident35 Ų3595.1 Ų95.129%0.28951%0.511SS..  trans-74.8134.9163.300000110.1K167 Y175K167-A170 VanDerWaalsContact O-CB 3.31Å; K167-A170 WeakPolarHBondContact O-CB 3.15Å; K167-A170 PolarHBondContact O-N 3.38Å; A170-Y175 HydrophobicContact CB-CE2 4.44Å
171D81.8Confident78.8Confident86 Ų8693.4 Ų93.446%0.4651%0.506SS..  trans-79.5145.4164.1-171.1-1.1000109.2S173 Y175D171-S173 VanDerWaalsContact C-N 3.31Å; D171-S173 VanDerWaalsContact CG-OG 3.29Å; D171-S173 PolarHBondContact OD1-N 2.84Å; D171-S173 WeakPolarHBondContact OD2-CB 3.39Å; D171-S173 PolarHBondContact OD2-OG 3.13Å; D171-Y175 VanDerWaalsContact O-CD2 3.28Å; D171-Y175 WeakPolarHBondContact O-CD2 3.45Å
172L79.9Confident80.4Confident77 Ų7784.1 Ų84.140%0.40346%0.462SS..SBendtrans-72.5-27.9169.6-64.7176.3000111.2W165 D174 Y175 F176 N181W165-L172 HydrophobicContact CB-CD2 4.21Å; L172-D174 VanDerWaalsContact C-N 3.27Å; L172-D174 PolarHBondContact O-N 2.59Å; L172-Y175 PolarHBondContact O-N 2.63Å; L172-F176 HydrophobicContact CD2-CD2 4.47Å; L172-F176 PolarHBondContact O-N 3.26Å; L172-N181 HydrophobicContact CD1-CB 4.12Å
173S82.8Confident81.4Confident73 Ų7384 Ų8451%0.5146%0.461SS..THydrogen-bonded Turntrans-65.7-27.2-177.4870000113.8D171 Y175D171-S173 VanDerWaalsContact C-N 3.31Å; D171-S173 VanDerWaalsContact CG-OG 3.29Å; D171-S173 PolarHBondContact OD1-N 2.84Å; D171-S173 WeakPolarHBondContact OD2-CB 3.39Å; D171-S173 PolarHBondContact OD2-OG 3.13Å; S173-Y175 PolarHBondContact O-N 2.91Å
174D85.2Confident81.7Confident124 Ų12485.8 Ų85.866%0.66347%0.474SS*.THydrogen-bonded Turntrans-63.7-21.2172.7-75.8-34.1000113.3L172L172-D174 VanDerWaalsContact C-N 3.27Å; L172-D174 PolarHBondContact O-N 2.59Å
175Y82.3Confident82.1Confident104 Ų10487.7 Ų87.741%0.40848%0.476SS..THydrogen-bonded Turntrans-120.6-29-173.3-56.9-88.8000113.5P164 W165 A170 D171 L172 S173P164-Y175 HydrophobicContact CB-CE1 3.74Å; P164-Y175 WeakPolarHBondContact CB-OH 3.19Å; P164-Y175 HydrophobicContact CG-CE1 4.47Å; W165-Y175 HydrophobicContact CB-CD1 4.46Å; W165-Y175 HydrophobicContact CB-CD2 3.6Å; W165-Y175 HydrophobicContact CB-CE2 4.08Å; W165-Y175 HydrophobicContact CB-CG 3.82Å; W165-Y175 AromaticContact CE3-CD1 3.86Å; W165-Y175 HydrophobicContact CE3-CD1 3.86Å; W165-Y175 HydrophobicContact CE3-CE1 4.46Å; W165-Y175 HydrophobicContact CE3-CG 4.14Å; A170-Y175 HydrophobicContact CB-CE2 4.44Å; D171-Y175 VanDerWaalsContact O-CD2 3.28Å; D171-Y175 WeakPolarHBondContact O-CD2 3.45Å; L172-Y175 PolarHBondContact O-N 2.63Å; S173-Y175 PolarHBondContact O-N 2.91Å
176F82.7Confident82.1Confident24 Ų2488.3 Ų88.311%0.10548%0.479CS..  trans-124.6121.2-175.9-62.4-85.8000111.4W165 L172 F180 E182 W185W165-F176 HydrophobicContact CB-CE2 4.21Å; W165-F176 AromaticContact CD1-CE2 3.84Å; W165-F176 HydrophobicContact CD2-CE2 4.01Å; W165-F176 HydrophobicContact CD2-CZ 4.27Å; W165-F176 AromaticContact CG-CE2 3.77Å; W165-F176 HydrophobicContact CG-CE2 3.77Å; W165-F176 HydrophobicContact CG-CZ 4.42Å; L172-F176 HydrophobicContact CD2-CD2 4.47Å; L172-F176 PolarHBondContact O-N 3.26Å; F176-F180 HydrophobicContact CB-CB 4.18Å; F176-F180 WeakPolarHBondContact CB-O 3.14Å; F176-F180 HydrophobicContact CD1-CB 4.48Å; F176-E182 HydrophobicContact CZ-CB 3.96Å; F176-E182 HydrophobicContact CZ-CG 4.4Å; F176-W185 HydrophobicContact CD1-CB 4.32Å; F176-W185 HydrophobicContact CE1-CB 4.11Å; F176-W185 HydrophobicContact CE1-CG 4.39Å
177N81.5Confident82.2Confident115 Ų11583.8 Ų83.862%0.61548%0.475SS*.SBendtrans-85.4164178.1-77-93.7000111.7G179 F180N177-G179 PolarHBondContact O-N 3.17Å; N177-F180 WeakPolarHBondContact O-CB 3.3Å; N177-F180 PolarHBondContact O-N 3.3Å
178Y79.3Confident82.3Confident221 Ų22183.7 Ų83.787%0.86747%0.472SS*.THydrogen-bonded Turntrans59.724.8174.1-48.7-73.7000115.8F180Y178-F180 PolarHBondContact O-N 3.18Å
179G80.8Confident82.6Confident77 Ų7778.2 Ų78.279%0.79444%0.437SS*.THydrogen-bonded Turntrans73.914.1-178.500000114.2N177N177-G179 PolarHBondContact O-N 3.17Å
180F78.8Confident82.8Confident69 Ų6980.2 Ų80.230%0.30342%0.422SS..  trans-67.6161.7169-86.5-109.4000111.4F176 N177 Y178 T184 W185 Y188F176-F180 HydrophobicContact CB-CB 4.18Å; F176-F180 WeakPolarHBondContact CB-O 3.14Å; F176-F180 HydrophobicContact CD1-CB 4.48Å; N177-F180 WeakPolarHBondContact O-CB 3.3Å; N177-F180 PolarHBondContact O-N 3.3Å; Y178-F180 PolarHBondContact O-N 3.18Å; F180-T184 WeakPolarHBondContact CA-OG1 3.4Å; F180-T184 WeakPolarHBondContact CD1-OG1 3.49Å; F180-T184 WeakPolarHBondContact CE1-O 3.41Å; F180-W185 HydrophobicContact CD1-CB 3.97Å; F180-W185 HydrophobicContact CD1-CE3 4.12Å; F180-Y188 HydrophobicContact CE1-CG 4.37Å
181N84.4Confident82.8Confident53 Ų5383.5 Ų83.528%0.28343%0.43SS..  trans-136.9-176.4167.362.328.6000108.2L172 D183 T184 W185L172-N181 HydrophobicContact CD1-CB 4.12Å; N181-D183 PolarHBondContact O-N 2.69Å; N181-D183 PolarHBondContact OD1-N 3.28Å; N181-D183 VanDerWaalsContact OD1-N 3.11Å; N181-T184 PolarHBondContact N-OG1 2.95Å; N181-T184 PolarHBondContact O-OG1 3.04Å; N181-T184 PolarHBondContact OD1-N 3.01Å; N181-T184 PolarHBondContact OD1-OG1 3.46Å; N181-T184 VanDerWaalsContact OD1-OG1 3.11Å; N181-W185 WeakPolarHBondContact O-CB 3.19Å; N181-W185 PolarHBondContact O-N 2.97Å
182E85Confident82.8Confident10 Ų1082.2 Ų82.25%0.04742%0.421CS..Hα-helixtrans-57.8-38.1-177.7-164.3-172.2135.500112.5K163 W165 R166 F176 K186K163-E182 IonicContact NZ-OE1 2.65Å; K163-E182 PolarHBondContact NZ-OE1 2.85Å; K163-E182 IonicContact NZ-OE2 2.84Å; W165-E182 PolarHBondContact NE1-OE2 3.27Å; R166-E182 IonicContact CZ-OE1 3.13Å; R166-E182 IonicContact CZ-OE2 3.24Å; R166-E182 VanDerWaalsContact CZ-OE2 3.32Å; R166-E182 IonicContact NE-OE1 3.47Å; R166-E182 IonicContact NE-OE2 2.67Å; R166-E182 PolarHBondContact NE-OE2 3.24Å; R166-E182 IonicContact NH2-OE1 2.71Å; R166-E182 PolarHBondContact NH2-OE1 3.22Å; R166-E182 IonicContact NH2-OE2 2.95Å; R166-E182 PolarHBondContact NH2-OE2 3.32Å; F176-E182 HydrophobicContact CZ-CB 3.96Å; F176-E182 HydrophobicContact CZ-CG 4.4Å; E182-K186 VanDerWaalsContact O-CG 3.31Å; E182-K186 WeakPolarHBondContact O-CG 3.33Å; E182-K186 PolarHBondContact O-N 2.82Å; E182-K186 WeakPolarHBondContact OE1-CE 3.39Å; E182-K186 IonicContact OE1-NZ 2.87Å; E182-K186 PolarHBondContact OE1-NZ 3.34Å
183D81Confident82.8Confident103 Ų10383.5 Ų83.555%0.55142%0.423SS*.Hα-helixtrans-82-42.9-172.2-53.8-52.5000112.2N181 W185 K186 A187N181-D183 PolarHBondContact O-N 2.69Å; N181-D183 PolarHBondContact OD1-N 3.28Å; N181-D183 VanDerWaalsContact OD1-N 3.11Å; D183-W185 VanDerWaalsContact C-N 3.26Å; D183-W185 PolarHBondContact O-N 3.44Å; D183-K186 PolarHBondContact O-N 3.29Å; D183-A187 PolarHBondContact O-N 3.12Å
184T86.4Confident82.6Confident61 Ų6185.1 Ų85.137%0.37442%0.418SS..Hα-helixtrans-65.7-31.8173.156.60000111.7F180 N181 Y188F180-T184 WeakPolarHBondContact CA-OG1 3.4Å; F180-T184 WeakPolarHBondContact CD1-OG1 3.49Å; F180-T184 WeakPolarHBondContact CE1-O 3.41Å; N181-T184 PolarHBondContact N-OG1 2.95Å; N181-T184 PolarHBondContact O-OG1 3.04Å; N181-T184 PolarHBondContact OD1-N 3.01Å; N181-T184 PolarHBondContact OD1-OG1 3.46Å; N181-T184 VanDerWaalsContact OD1-OG1 3.11Å; T184-Y188 WeakPolarHBondContact O-CB 3.2Å; T184-Y188 PolarHBondContact O-N 2.86Å
185W85.5Confident82.4Confident88 Ų8881.6 Ų81.633%0.33340%0.399SS..Hα-helixtrans-70.4-41.8174.3-179.7-87.6000112L157 F176 F180 N181 D183 Y188 C189L157-W185 HydrophobicContact CD1-CG 4.47Å; F176-W185 HydrophobicContact CD1-CB 4.32Å; F176-W185 HydrophobicContact CE1-CB 4.11Å; F176-W185 HydrophobicContact CE1-CG 4.39Å; F180-W185 HydrophobicContact CD1-CB 3.97Å; F180-W185 HydrophobicContact CD1-CE3 4.12Å; N181-W185 WeakPolarHBondContact O-CB 3.19Å; N181-W185 PolarHBondContact O-N 2.97Å; D183-W185 VanDerWaalsContact C-N 3.26Å; D183-W185 PolarHBondContact O-N 3.44Å; W185-Y188 PolarHBondContact O-N 2.75Å; W185-C189 PolarHBondContact NE1-SG 3.41Å; W185-C189 VanDerWaalsContact NE1-SG 3.37Å; W185-C189 PolarHBondContact O-N 2.88Å; W185-C189 PolarHBondContact O-SG 2.73Å; W185-C189 VanDerWaalsContact O-SG 3.4Å
186K84.1Confident82.1Confident52 Ų5283 Ų8323%0.22640%0.404CS..Hα-helixtrans-58.3-47.7171.6-77.1171.7-174.2176.90111.8L157 D158 E182 D183 Y188 C189 E190L157-K186 HydrophobicContact CD1-CG 4.49Å; D158-K186 IonicContact OD1-NZ 3.2Å; D158-K186 PolarHBondContact OD1-NZ 3.47Å; D158-K186 WeakPolarHBondContact OD2-CE 3.47Å; D158-K186 IonicContact OD2-NZ 2.68Å; D158-K186 PolarHBondContact OD2-NZ 3.5Å; E182-K186 VanDerWaalsContact O-CG 3.31Å; E182-K186 WeakPolarHBondContact O-CG 3.33Å; E182-K186 PolarHBondContact O-N 2.82Å; E182-K186 WeakPolarHBondContact OE1-CE 3.39Å; E182-K186 IonicContact OE1-NZ 2.87Å; E182-K186 PolarHBondContact OE1-NZ 3.34Å; D183-K186 PolarHBondContact O-N 3.29Å; K186-Y188 VanDerWaalsContact C-N 3.3Å; K186-Y188 PolarHBondContact O-N 3.01Å; K186-C189 PolarHBondContact O-N 3.08Å; K186-C189 VanDerWaalsContact O-N 3.15Å; K186-E190 PolarHBondContact O-N 3.2Å
187A83.2Confident81.8Confident58 Ų5888.3 Ų88.348%0.47943%0.431SS..Hα-helixtrans-60-38.717700000112.3D183 K191D183-A187 PolarHBondContact O-N 3.12Å; A187-K191 WeakPolarHBondContact O-CB 3.26Å; A187-K191 PolarHBondContact O-N 3.21Å
188Y83.8Confident81.2Confident102 Ų10285.8 Ų85.840%0.443%0.431SS..Hα-helixtrans-64.7-44.4172.7173.8-98.9000112.6F180 T184 W185 K186 E190 K191 Q192F180-Y188 HydrophobicContact CE1-CG 4.37Å; T184-Y188 WeakPolarHBondContact O-CB 3.2Å; T184-Y188 PolarHBondContact O-N 2.86Å; W185-Y188 PolarHBondContact O-N 2.75Å; K186-Y188 VanDerWaalsContact C-N 3.3Å; K186-Y188 PolarHBondContact O-N 3.01Å; Y188-E190 PolarHBondContact O-N 2.89Å; Y188-K191 PolarHBondContact O-N 3.46Å; Y188-Q192 VanDerWaalsContact O-CB 3.28Å; Y188-Q192 WeakPolarHBondContact O-CB 3.37Å; Y188-Q192 PolarHBondContact O-N 3.45Å
189C83.7Confident80.4Confident21 Ų2181.4 Ų81.414%0.14242%0.422CS..Hα-helixtrans-60.8-43.8175.7-71.40000111.8W185 K186 Q192 K193W185-C189 PolarHBondContact NE1-SG 3.41Å; W185-C189 VanDerWaalsContact NE1-SG 3.37Å; W185-C189 PolarHBondContact O-N 2.88Å; W185-C189 PolarHBondContact O-SG 2.73Å; W185-C189 VanDerWaalsContact O-SG 3.4Å; K186-C189 PolarHBondContact O-N 3.08Å; K186-C189 VanDerWaalsContact O-N 3.15Å; C189-Q192 PolarHBondContact O-N 3.22Å; C189-K193 WeakPolarHBondContact O-CB 3.42Å; C189-K193 PolarHBondContact O-N 3.16Å
190E82.9Confident78.9Confident132 Ų13279.9 Ų79.962%0.61739%0.394SS*.Hα-helixtrans-64-46.7175.6-177.6168.6-159.200112K186 Y188 Q192 K193 R194K186-E190 PolarHBondContact O-N 3.2Å; Y188-E190 PolarHBondContact O-N 2.89Å; E190-Q192 PolarHBondContact O-N 3.37Å; E190-K193 CarbonylContact O-C 3.59Å; E190-K193 WeakPolarHBondContact O-CB 3.43Å; E190-K193 PolarHBondContact O-N 3.29Å; E190-R194 WeakPolarHBondContact O-CB 3.43Å; E190-R194 PolarHBondContact O-N 3.27Å
191K83.1Confident77.4Confident103 Ų10383.3 Ų83.345%0.44842%0.421SS..Hα-helixtrans-58-46.6175.6-179.2161.8-170.5166.30111.8A187 Y188 K193 R194 I195 E200A187-K191 WeakPolarHBondContact O-CB 3.26Å; A187-K191 PolarHBondContact O-N 3.21Å; Y188-K191 PolarHBondContact O-N 3.46Å; K191-K193 VanDerWaalsContact C-N 3.29Å; K191-K193 PolarHBondContact O-N 3.24Å; K191-R194 WeakPolarHBondContact O-CB 3.4Å; K191-R194 PolarHBondContact O-N 2.97Å; K191-R194 VanDerWaalsContact O-N 3.16Å; K191-I195 HydrophobicContact CG-CD1 3.91Å; K191-I195 VanDerWaalsContact O-CG1 3.31Å; K191-I195 WeakPolarHBondContact O-CG1 3.46Å; K191-I195 PolarHBondContact O-N 3.49Å; K191-E200 VanDerWaalsContact CE-OE2 3.24Å; K191-E200 WeakPolarHBondContact CE-OE2 3.24Å
192Q82Confident75.7Confident59 Ų5985.9 Ų85.928%0.27643%0.434SS..Hα-helixtrans-67.8-30.3179.8-169.568.6-3800112.3L153 Y188 C189 E190 R196L153-Q192 HydrophobicContact CD2-CB 4.12Å; L153-Q192 HydrophobicContact CD2-CG 3.36Å; Y188-Q192 VanDerWaalsContact O-CB 3.28Å; Y188-Q192 WeakPolarHBondContact O-CB 3.37Å; Y188-Q192 PolarHBondContact O-N 3.45Å; C189-Q192 PolarHBondContact O-N 3.22Å; E190-Q192 PolarHBondContact O-N 3.37Å; Q192-R196 VanDerWaalsContact O-CB 3.28Å; Q192-R196 WeakPolarHBondContact O-CB 3.35Å; Q192-R196 PolarHBondContact O-N 2.83Å
193K81.2Confident73.7Confident104 Ų10490.9 Ų90.945%0.45247%0.467SS..Hα-helixtrans-70.4-39.5170.5-175.1178.3-178.2179.10112C189 E190 K191 R196 M197C189-K193 WeakPolarHBondContact O-CB 3.42Å; C189-K193 PolarHBondContact O-N 3.16Å; E190-K193 CarbonylContact O-C 3.59Å; E190-K193 WeakPolarHBondContact O-CB 3.43Å; E190-K193 PolarHBondContact O-N 3.29Å; K191-K193 VanDerWaalsContact C-N 3.29Å; K191-K193 PolarHBondContact O-N 3.24Å; K193-R196 PolarHBondContact O-N 3.16Å; K193-M197 HydrophobicContact CG-CE 4.08Å; K193-M197 WeakPolarHBondContact O-CG 3.14Å; K193-M197 PolarHBondContact O-N 3.4Å
194R77.1Confident71.7Confident107 Ų10791.5 Ų91.540%0.40447%0.474SS..Hα-helixtrans-65.4-43.9174.9-172.1163.167.7-170.87.8112.1E190 K191 M197 G198 L199 E200E190-R194 WeakPolarHBondContact O-CB 3.43Å; E190-R194 PolarHBondContact O-N 3.27Å; K191-R194 WeakPolarHBondContact O-CB 3.4Å; K191-R194 PolarHBondContact O-N 2.97Å; K191-R194 VanDerWaalsContact O-N 3.16Å; R194-M197 PolarHBondContact O-N 2.95Å; R194-G198 PolarHBondContact O-N 3.05Å; R194-L199 HydrophobicContact CG-CB 3.99Å; R194-L199 HydrophobicContact CG-CD2 4.31Å; R194-L199 HydrophobicContact CG-CG 4.19Å; R194-L199 PolarHBondContact O-N 2.97Å; R194-E200 HydrophobicContact CG-CB 4.46Å; R194-E200 HydrophobicContact CG-CG 4.21Å; R194-E200 IonicContact CZ-OE1 2.68Å; R194-E200 IonicContact NE-OE1 3.37Å; R194-E200 PolarHBondContact NE-OE1 2.98Å; R194-E200 IonicContact NH2-OE1 3.95Å; R194-E200 PolarHBondContact NH2-OE1 3.09Å
195I80.8Confident69.6Low51 Ų5194.9 Ų94.926%0.26250%0.495SS..Hα-helixtrans-60.7-48171.6-68.3165.8000110.6K191 M197 G198 E200 I202K191-I195 HydrophobicContact CG-CD1 3.91Å; K191-I195 VanDerWaalsContact O-CG1 3.31Å; K191-I195 WeakPolarHBondContact O-CG1 3.46Å; K191-I195 PolarHBondContact O-N 3.49Å; I195-M197 VanDerWaalsContact C-N 3.3Å; I195-M197 PolarHBondContact O-N 2.98Å; I195-G198 PolarHBondContact O-N 3.38Å; I195-E200 HydrophobicContact CG1-CB 4Å; I195-E200 WeakPolarHBondContact CG1-OE2 3.27Å; I195-I202 HydrophobicContact CG2-CD1 4.23Å
196R77.8Confident67.4Low134 Ų13495.9 Ų95.951%0.50652%0.515SS..Hα-helixtrans-65.4-28.9-179.8-173.7176.2-69.3172.5-2.4113.6Q192 K193 G198Q192-R196 VanDerWaalsContact O-CB 3.28Å; Q192-R196 WeakPolarHBondContact O-CB 3.35Å; Q192-R196 PolarHBondContact O-N 2.83Å; K193-R196 PolarHBondContact O-N 3.16Å; R196-G198 VanDerWaalsContact C-N 3.26Å
197M76.5Confident65Low135 Ų13599.2 Ų99.267%0.66554%0.54SS*.THydrogen-bonded Turntrans-80.6-0.3171.3-73-162.1-78.700113.9K193 R194 I195 L199K193-M197 HydrophobicContact CG-CE 4.08Å; K193-M197 WeakPolarHBondContact O-CG 3.14Å; K193-M197 PolarHBondContact O-N 3.4Å; R194-M197 PolarHBondContact O-N 2.95Å; I195-M197 VanDerWaalsContact C-N 3.3Å; I195-M197 PolarHBondContact O-N 2.98Å; M197-L199 PolarHBondContact O-N 3.18Å
198G67.1Low62.6Low61 Ų61102.9 Ų102.963%0.62956%0.557SS**THydrogen-bonded Turntrans69.418-17900000114.2R194 I195 R196R194-G198 PolarHBondContact O-N 3.05Å; I195-G198 PolarHBondContact O-N 3.38Å; R196-G198 VanDerWaalsContact C-N 3.26Å
199L63.6Low60.2Low129 Ų129105.2 Ų105.268%0.67558%0.576SS**  trans-90.9-14.7-176.2-175.460.8000112.5R194 M197R194-L199 HydrophobicContact CG-CB 3.99Å; R194-L199 HydrophobicContact CG-CD2 4.31Å; R194-L199 HydrophobicContact CG-CG 4.19Å; R194-L199 PolarHBondContact O-N 2.97Å; M197-L199 PolarHBondContact O-N 3.18Å
200E48.2Very low58.2Low45 Ų45114.2 Ų114.221%0.2161%0.613CS.*SBendtrans-94.8122.7161.6-106176.8-133.900110K191 R194 I195 I202K191-E200 VanDerWaalsContact CE-OE2 3.24Å; K191-E200 WeakPolarHBondContact CE-OE2 3.24Å; R194-E200 HydrophobicContact CG-CB 4.46Å; R194-E200 HydrophobicContact CG-CG 4.21Å; R194-E200 IonicContact CZ-OE1 2.68Å; R194-E200 IonicContact NE-OE1 3.37Å; R194-E200 PolarHBondContact NE-OE1 2.98Å; R194-E200 IonicContact NH2-OE1 3.95Å; R194-E200 PolarHBondContact NH2-OE1 3.09Å; I195-E200 HydrophobicContact CG1-CB 4Å; I195-E200 WeakPolarHBondContact CG1-OE2 3.27Å; E200-I202 PolarHBondContact O-N 2.96Å
201V48.7Very low56.1Low142 Ų142115.4 Ų115.486%0.86162%0.622SS**  trans-74.796.4169.8179.90000108.3P203V201-P203 WeakPolarHBondContact O-CD 3.49Å
202I47.6Very low54.2Low107 Ų107115.9 Ų115.955%0.54963%0.634SS.*  trans-56.5126.5173.3-56.3173.8000108.5I195 E200 V204I195-I202 HydrophobicContact CG2-CD1 4.23Å; E200-I202 PolarHBondContact O-N 2.96Å; I202-V204 VanDerWaalsContact C-N 3.29Å; I202-V204 PolarHBondContact O-N 3.49Å
203P42.9Very low51.9Low115 Ų115117.7 Ų117.775%0.74766%0.659SS**  trans-70.786.1173.728.5-33.8000110V201 T205V201-P203 WeakPolarHBondContact O-CD 3.49Å; P203-T205 PolarHBondContact O-N 2.7Å; P203-T205 VanDerWaalsContact O-N 3.12Å
204V40.7Very low49.8Very low116 Ų116119.7 Ų119.770%0.70367%0.67SS**  trans-63112.6177.1179.20000109.2I202 S206I202-V204 VanDerWaalsContact C-N 3.29Å; I202-V204 PolarHBondContact O-N 3.49Å; V204-S206 PolarHBondContact O-N 2.87Å
205T40.5Very low47.8Very low131 Ų131121.8 Ų121.880%0.80469%0.689SS**  trans-70.194.5-174.845.50000112.5P203P203-T205 PolarHBondContact O-N 2.7Å; P203-T205 VanDerWaalsContact O-N 3.12Å
206S40.5Very low45.5Very low110 Ų110125 Ų12577%0.76971%0.714SS**SBendtrans60.167.8156-63.30000118.5V204V204-S206 PolarHBondContact O-N 2.87Å
207T33.4Very low43.2Very low121 Ų121124.2 Ų124.274%0.74273%0.725SS**  trans-136.475.9146.852.90000111.9N209T207-N209 PolarHBondContact O-N 3.09Å; T207-N209 VanDerWaalsContact O-N 3.16Å
208T32.6Very low41Very low136 Ų136125.9 Ų125.983%0.83473%0.733SS**  trans-80.890.3179.641.50000112.6
209N34.5Very low39.4Very low151 Ų151131.5 Ų131.581%0.80774%0.743SS**  trans-65.8130.8153.8-77.7-47.7000108.6T207 I211T207-N209 PolarHBondContact O-N 3.09Å; T207-N209 VanDerWaalsContact O-N 3.16Å; N209-I211 PolarHBondContact O-N 3.26Å
210K40.6Very low37.9Very low210 Ų210131.4 Ų131.491%0.91375%0.748SS**  trans-79.6119.4177-66.9-170.3177.3-169.90110.4
211I38.1Very low37.1Very low156 Ų156135.4 Ų135.480%0.878%0.775SS**  trans-127.4129.5161.8-63.7179.1000105.7N209N209-I211 PolarHBondContact O-N 3.26Å
212T43.3Very low36.6Very low114 Ų114134.4 Ų134.470%0.69977%0.772SS**  trans-79.6139169.658.60000109E214T212-E214 WeakPolarHBondContact CB-OE1 3.41Å; T212-E214 PolarHBondContact OG1-OE1 3.31Å
213A34.8Very low35.7Very low97 Ų97132.8 Ų132.880%0.80278%0.781SS**  trans-121.3109.1166.900000105.7
214E36.2Very low35.2Very low146 Ų146132 Ų13268%0.68279%0.785SS**  trans-69.9153.2179.4-30.6-61.1122.400110T212 C216T212-E214 WeakPolarHBondContact CB-OE1 3.41Å; T212-E214 PolarHBondContact OG1-OE1 3.31Å; E214-C216 PolarHBondContact O-N 3.11Å
215D35.9Very low34.8Very low150 Ų150134.3 Ų134.380%0.80279%0.788SS**  trans-59.5133.5-174.2-65.1-75.6000114
216C31.7Very low34.5Very low119 Ų119135.7 Ų135.780%0.80479%0.788SS**  trans-127.274.4167.4-86.10000109.7E214 M218E214-C216 PolarHBondContact O-N 3.11Å; C216-M218 PolarHBondContact O-N 2.78Å
217T29.6Very low34.2Very low118 Ų118137.3 Ų137.372%0.72478%0.784SS**  trans-67.493.9175.150.30000110.9E219T217-E219 PolarHBondContact O-N 2.66Å
218M31.5Very low34.2Very low170 Ų170139.1 Ų139.184%0.83779%0.789SS**  trans-80.788.2170.7-69.1-77.2-75.900109.3C216 V220C216-M218 PolarHBondContact O-N 2.78Å; M218-V220 PolarHBondContact O-N 3.35Å
219E32.2Very low34.5Very low178 Ų178136.4 Ų136.483%0.83279%0.788SS**  trans-64.3132.8173.7-67.1-167.8171.400111.1T217T217-E219 PolarHBondContact O-N 2.66Å
220V32.4Very low34.7Very low128 Ų128140.4 Ų140.478%0.77679%0.792SS**  trans-125102.2174.5-179.70000108.6M218 P222M218-V220 PolarHBondContact O-N 3.35Å; V220-P222 WeakPolarHBondContact O-CD 3.49Å
221T31.9Very low34.5Very low128 Ų128140.8 Ų140.879%0.78579%0.794SS**  trans-70.5120.2174.8-47.60000110.3
222P36.8Very low34.5Very low122 Ų122139.8 Ų139.879%0.79279%0.79SS**  trans-78131.5174.331.4-32.7000110.6V220V220-P222 WeakPolarHBondContact O-CD 3.49Å
223G28.6Very low34Very low72 Ų72141.4 Ų141.474%0.74279%0.794SS**  trans-167148.8176.800000113.4
224A33.3Very low33.9Very low100 Ų100145.7 Ų145.783%0.82680%0.795SS**  trans68.891.8-179.700000116.9
225E32Very low34Very low164 Ų164147.2 Ų147.277%0.76680%0.799SS**  trans-56.7128.8151.5173.7-159.6157.100111.2
226I35.5Very low34Very low160 Ų160147 Ų14782%0.82180%0.803SS**  trans-141.2149.5155.7-62.8-172.2000108.8
227Q32.3Very low34Very low144 Ų144149.4 Ų149.467%0.67380%0.802SS**  trans-90.5-177.1-168.6-64.1159.17.400114
228D33.9Very low34Very low158 Ų158152.3 Ų152.385%0.84581%0.808SS**  trans69.1109.2167.8-64-20.7000118.9
229G39.9Very low34.1Very low80 Ų80148 Ų14883%0.82581%0.807SS**  trans-80.5139.5-178.200000114.8
230R37.9Very low34.1Very low235 Ų235150.7 Ų150.789%0.88781%0.81SS**  trans-150.9106.6163.7-101.2161.2-172.8-1731.8110.7N232R230-N232 PolarHBondContact O-N 3.41Å
231F36.7Very low34.3Very low218 Ų218151.1 Ų151.196%0.95681%0.812SS**  trans-54.7132.8173.7-61-91.1000111.5
232N37.2Very low34.3Very low135 Ų135149 Ų14972%0.72282%0.816SS**  trans-140.8121.4166.6-86-76.1000111.8R230 F234R230-N232 PolarHBondContact O-N 3.41Å; N232-F234 PolarHBondContact O-N 3.15Å
233L34.4Very low34.3Very low148 Ų148150.9 Ų150.978%0.77582%0.82SS**  trans-75.1111.1178.4171.868000110.8
234F32Very low34.5Very low186 Ų186152.3 Ų152.382%0.81682%0.818SS**  trans-91.2110.1170.3-95.8-87.7000111.9N232N232-F234 PolarHBondContact O-N 3.15Å
235K37.5Very low34.7Very low178 Ų178155.7 Ų155.777%0.77482%0.817SS**  trans-82.4126.2166-67.4-174.5178.2-177.40109.7Q237K235-Q237 PolarHBondContact O-N 3.42Å
236V36.1Very low35.1Very low145 Ų145157.2 Ų157.288%0.87982%0.821SS**  trans-88.7101.4174.4-175.80000109.8
237Q31.8Very low35Very low171 Ų171158.5 Ų158.580%0.79982%0.823SS**  trans-88.1128.1172.9174.657.759.400109.9K235K235-Q237 PolarHBondContact O-N 3.42Å
238Q29.8Very low35Very low179 Ų179158.8 Ų158.884%0.83684%0.835SS**  trans-69137171.8-71.5-165.41.500111.3
239G32.7Very low34.8Very low80 Ų80155.3 Ų155.383%0.82583%0.829SS**  trans-139.5144.8171.800000110.1
240R32.8Very low34.6Very low234 Ų234159.3 Ų159.388%0.88383%0.83SS**  trans-123.5143.1-166.8-136.2-179.2175.1161.6-3.9110.7
241T36Very low34.9Very low136 Ų136153.9 Ų153.983%0.83483%0.826SS**  trans53.1122.8155.350.10000120.1
242G32.3Very low34.7Very low84 Ų84148.5 Ų148.587%0.86682%0.815SS**  trans-154.8134156.300000109.8
243N37.2Very low34.5Very low161 Ų161149.1 Ų149.186%0.86182%0.824SS**  trans-136138.1-175.3-177.933.9000109.9
244S33.7Very low34.4Very low102 Ų102149.4 Ų149.471%0.71382%0.819SS**  trans-156.586.8173.853.30000114.9
245E37Very low34.6Very low171 Ų171145.3 Ų145.380%0.79982%0.819SS**  trans21.1128.213434.2-179.2119.600120.9
246K39.6Very low34.3Very low197 Ų197143.7 Ų143.786%0.85781%0.814SS**  -174.2145.7117.755.7-171.2148.4-66.20112
247E33.5Very low34.1Very low186 Ų186146.1 Ų146.187%0.86981%0.813SS**  trans-92.1154.1172.8-62.5-172.213000112.3
248T33.4Very low34.4Very low150 Ų150142.9 Ų142.992%0.9281%0.806SS**  trans-154.3150.1139.7-23.40000109.3
249A30.1Very low34.7Very low86 Ų86139.5 Ų139.571%0.71180%0.801SS**  trans-102.1149.6-168.600000114.4
250L34.8Very low35.2Very low163 Ų163141.5 Ų141.585%0.85380%0.8SS**  trans31.2142.3139.4-64.5-179000120.4
251P43.6Very low35.7Very low122 Ų122136 Ų13679%0.79280%0.795SS**  cis-148.8163.947.540.8-20.6000120.4
252S32.8Very low35.8Very low105 Ų105134.1 Ų134.173%0.73479%0.787SS**  trans-20.9134.1159.6176.60000119.9
253T33.4Very low36.1Very low147 Ų147138.5 Ų138.590%0.90279%0.79SS**  trans-140.8167.6135.747.20000110.5
254K33.4Very low36Very low155 Ų155140 Ų14067%0.67479%0.789SS**  trans-133.1125.2-161.2-176.3-147.7-177-146.50113.9E256K254-E256 WeakPolarHBondContact CE-OE2 3.3Å; K254-E256 IonicContact NZ-OE1 2.73Å; K254-E256 PolarHBondContact NZ-OE1 3.01Å; K254-E256 IonicContact NZ-OE2 3.63Å; K254-E256 PolarHBondContact NZ-OE2 3.13Å
255A35.1Very low36.1Very low99 Ų99145 Ų14582%0.81880%0.798SS**  trans-167.3132.8150.400000108.3
256E31.8Very low36Very low145 Ų145143.2 Ų143.268%0.67880%0.799SS**  cis96.66716.9-157.8166.8-126.900116.2K254K254-E256 WeakPolarHBondContact CE-OE2 3.3Å; K254-E256 IonicContact NZ-OE1 2.73Å; K254-E256 PolarHBondContact NZ-OE1 3.01Å; K254-E256 IonicContact NZ-OE2 3.63Å; K254-E256 PolarHBondContact NZ-OE2 3.13Å
257F31.5Very low35.5Very low195 Ų195137.5 Ų137.586%0.85580%0.796SS**  trans-159.3112.2149-136.5-116.2000108.6
258T37.3Very low35.5Very low104 Ų104136.8 Ų136.864%0.63880%0.797SS**  103.8109.969.2-68.80000110.7
259S37.1Very low36.7Very low107 Ų107134.8 Ų134.875%0.74879%0.786SS**PPolyproline II helixtrans-90.1152.6169.6-590000111.5
260P42.3Very low37.5Very low123 Ų123136.3 Ų136.380%0.79979%0.789SS**PPolyproline II helixtrans-66.2157.3173.327.7-34.4000112.8
261P43.2Very low37.2Very low118 Ų118133.3 Ų133.377%0.76678%0.782SS**PPolyproline II helixtrans-88.3151.8-159.433.9-37.3000115.5
262S39.3Very low36.8Very low97 Ų97138 Ų13868%0.67878%0.784SS**PPolyproline II helixtrans-82.2132.3169.367.10000112.4F264S262-F264 PolarHBondContact O-N 2.75Å
263L38Very low36.7Very low176 Ų176141 Ų14192%0.92179%0.791SS**  trans-9485.3174.1-72.4171.7000112.1
264F35.2Very low36.7Very low191 Ų191139 Ų13984%0.83878%0.783SS**  trans-105.3132.8159.8-75.4-75.4000110S262S262-F264 PolarHBondContact O-N 2.75Å
265K35.8Very low36.5Very low207 Ų207138.1 Ų138.190%0.979%0.791SS**  trans-127.7142163.2-166.5160.4-175.7172.20109.9
266T34.4Very low36.3Very low135 Ų135138.1 Ų138.183%0.82879%0.786SS**  trans-98.8150.8-156.245.40000114.1
267G29.3Very low36.4Very low76 Ų76136.5 Ų136.578%0.78479%0.79SS**  trans-154.3129.6165.400000109
268L34.3Very low36.5Very low171 Ų171135.8 Ų135.890%0.89579%0.789SS**  trans-110162.7-173.8-84171.6000111.8
269P59Low36.3Very low108 Ų108135.3 Ų135.370%0.70179%0.791SS**  trans-94.2-170.5-156.439.5-39.4000113.9
270P45.3Very low36.2Very low119 Ų119138.2 Ų138.277%0.77379%0.792SS**  -144163.9108.239.5-27.3000116.6
271S29.3Very low35.6Very low100 Ų100137.8 Ų137.870%0.69979%0.788SS**  trans49.4111.6154.4-144.30000119
272R34.2Very low35Very low220 Ų220137.4 Ų137.483%0.8379%0.788SS**  42.5121.978.2-67.2-179.867.2-173.60.8114.6
273N31.3Very low34.8Very low167 Ų167139.7 Ų139.789%0.89380%0.798SS**  trans-145.7143.9141.7-106.3-21.2000109.4
274S33.1Very low34.4Very low105 Ų105135.5 Ų135.573%0.73479%0.789SS**  trans-152110179.7-53.90000110.5
275T30.2Very low34.2Very low137 Ų137131.8 Ų131.884%0.8479%0.786SS**  trans-141.5122.2167.138.50000106
276S31.5Very low34.1Very low100 Ų100133.5 Ų133.570%0.69979%0.787SS**  cis72.4104.341.7-168.30000113.9
277S32.7Very low34Very low111 Ų111136.9 Ų136.978%0.77679%0.79SS**  trans66.5160.4153.3-46.10000115.7
278Q33.6Very low34.1Very low179 Ų179137.1 Ų137.184%0.83679%0.785SS**  cis-154.5157.916.6-158164.16.400111.3
279S33.6Very low34Very low95 Ų95136.9 Ų136.966%0.66479%0.785SS**  trans-71.5155.1174.855.10000114.6
280Q35.5Very low32.7Very low167 Ų167137.3 Ų137.378%0.7879%0.79SS**  trans-170.5150130.7-107.2166.233.900115.1
281T29.9Very low32Very low115 Ų115137.2 Ų137.271%0.70679%0.793SS**  trans44.5123154.855.20000120.4
282S29.8Very low32.1Very low109 Ų109139.5 Ų139.576%0.76280%0.802SS**  58.6128.672.6-53.90000112.6
283T34.8Very low32Very low145 Ų145132 Ų13289%0.8979%0.793SS**  cis-146.9-174.249.2530000113.5
284A29.5Very low32.2Very low89 Ų89133.2 Ų133.274%0.73679%0.79SS**  trans-114.4154.7-172.900000113.8
285S30.1Very low31.9Very low112 Ų112140.3 Ų140.378%0.78380%0.801SS**  -174127.3125.2-87.40000116.3
286R34.6Very low31.8Very low244 Ų244141.9 Ų141.992%0.92180%0.799SS**  trans19.3122.6139-55178.5-176.5-141-0.4118.8
287K31.9Very low31.8Very low205 Ų205141.4 Ų141.489%0.89179%0.789SS**  -141.6132.8128.4-133172.9-173.7176.70110
288A32.2Very low31.7Very low82 Ų82147.5 Ų147.568%0.67879%0.794SS**  trans-86161.9163.500000108.9
289N31.7Very low31.6Very low165 Ų165148 Ų14888%0.88279%0.79SS**  -169.4138.8129.3-96.5-5.8000110.6
290S31.5Very low31.4Very low118 Ų118146.9 Ų146.983%0.82579%0.793SS**  trans-105128.4170.953.70000109.8
291S30.2Very low31Very low117 Ų117149.6 Ų149.682%0.81880%0.797SS**  trans-157.3116.6159.953.90000111.3
292V31.9Very low31Very low147 Ų147148 Ų14889%0.89179%0.794SS**  trans-66.7131.6161.3170.50000108.3
293G32.9Very low30.9Very low62 Ų62150.4 Ų150.464%0.63979%0.794SS**  trans-154.8101.3178.700000111.3
294K34.8Very low30.9Very low193 Ų193149 Ų14984%0.83979%0.79SS**  trans-70.2138.7-179.3-59.7175.1178.8-1800110.9
295W26.9Very low31.8Very low254 Ų254150.5 Ų150.596%0.96279%0.792SS**  trans-135.9111.7163.9-80.392.5000110.3
296Q29.2Very low32Very low170 Ų170150.3 Ų150.379%0.79478%0.782SS**  trans-169131.4-175.6-161.8158.51800105.7
297D31.3Very low32Very low91 Ų91147.2 Ų147.249%0.48778%0.783SS.*  cis-131.4170.3-1.6-86.8-51.4000109.8Y299D297-Y299 HydrophobicContact CB-CE2 3.83Å; D297-Y299 PolarHBondContact OD2-OH 2.9Å
298R30Very low32.5Very low238 Ų238147.5 Ų147.590%0.89878%0.779SS**  -164.4112.3125.5-109.3-173.1-60.5-110.54.5113.9
299Y31Very low32.7Very low190 Ų190152.2 Ų152.275%0.74578%0.779SS**  trans-32153.2164.8-42.5-83.1000116.7D297D297-Y299 HydrophobicContact CB-CE2 3.83Å; D297-Y299 PolarHBondContact OD2-OH 2.9Å
300G30.5Very low33Very low71 Ų71151.5 Ų151.573%0.73277%0.774SS**  cis159.7-152.70.200000113.4
301R26.2Very low33.3Very low225 Ų225152.4 Ų152.485%0.84978%0.777SS**  trans85.1130.2-175.3-162.2175.5-112.7-75.2-6.5113.3E303R301-E303 IonicContact CZ-OE1 3.98Å; R301-E303 IonicContact NH1-OE1 3.59Å; R301-E303 IonicContact NH2-OE1 3.79Å
302A29Very low34.3Very low80 Ų80150.7 Ų150.766%0.66178%0.778SS**SBendcis-121.6135.611.900000115.2
303E29.1Very low34.5Very low161 Ų161146.3 Ų146.375%0.75276%0.758SS**  trans51.1124.1139.4-62.3173.6-145.700122.4R301R301-E303 IonicContact CZ-OE1 3.98Å; R301-E303 IonicContact NH1-OE1 3.59Å; R301-E303 IonicContact NH2-OE1 3.79Å
304S35.2Very low35.2Very low115 Ų115150.9 Ų150.980%0.80477%0.766SS**  trans-85.3-178.1177.3-58.10000111.1
305P47.9Very low35.4Very low120 Ų120147.2 Ų147.278%0.77976%0.755SS**  cis-144.8177.624.942.3-20.5000120.1
306D33.6Very low36.1Very low109 Ų109141.1 Ų141.158%0.58375%0.746SS**  trans-50.9143.9173.6-66.1-121.1000114.6R308D306-R308 IonicContact OD1-CZ 2.78Å; D306-R308 IonicContact OD1-NE 3.88Å; D306-R308 PolarHBondContact OD1-NE 3.3Å; D306-R308 IonicContact OD1-NH2 3.53Å
307L35.8Very low36.4Very low178 Ų178141.3 Ų141.393%0.93275%0.75SS**  -135.9124.4129.5-79.2-176.7000109.8
308R41.9Very low36.6Very low212 Ų212139.6 Ų139.680%0.876%0.755SS**  trans-87113.6174-59.6178.6-165.9173.44.8108.4D306 L310D306-R308 IonicContact OD1-CZ 2.78Å; D306-R308 IonicContact OD1-NE 3.88Å; D306-R308 PolarHBondContact OD1-NE 3.3Å; D306-R308 IonicContact OD1-NH2 3.53Å; R308-L310 PolarHBondContact O-N 3.44Å
309R35.8Very low36.9Very low180 Ų180137 Ų13768%0.67975%0.753SS**  trans-66.6124-178.9-156.6179-170.4-165.33.7109.3A313 D315R309-A313 VanDerWaalsContact NH2-CB 3.34Å; R309-D315 IonicContact CZ-OD1 3.63Å; R309-D315 IonicContact NH1-OD1 3.4Å; R309-D315 PolarHBondContact NH1-OD1 3.36Å; R309-D315 IonicContact NH1-OD2 3.4Å; R309-D315 IonicContact NH2-OD1 2.84Å; R309-D315 PolarHBondContact NH2-OD1 2.88Å
310L37.4Very low37.7Very low150 Ų150134.6 Ų134.679%0.78576%0.758SS**  trans-70.3153.3170.8-69.6169.1000110.3R308 G312R308-L310 PolarHBondContact O-N 3.44Å; L310-G312 PolarHBondContact O-N 2.85Å
311P38.5Very low38.1Very low137 Ų137138.9 Ų138.989%0.8976%0.762SS**SBendtrans-71.2108.9173.929.5-33.2000110
312G50.3Low39Very low82 Ų82134.6 Ų134.685%0.84576%0.761SS**  trans158.338.8-17800000114.8L310L310-G312 PolarHBondContact O-N 2.85Å
313A37.9Very low39.4Very low55 Ų55138.7 Ų138.746%0.45577%0.77SS.*  trans-133.5118.3177.600000110.4R309R309-A313 VanDerWaalsContact NH2-CB 3.34Å
314I46.5Very low39.9Very low157 Ų157135.7 Ų135.781%0.80577%0.767SS**  trans-86.7125.6172.4-60.3168.2000107V316I314-V316 HydrophobicContact CG2-CG2 4.19Å; I314-V316 PolarHBondContact O-N 3.07Å
315D39Very low40.7Very low117 Ų117142 Ų14263%0.62677%0.773SS**  trans-82.798.7177.2-71.7-20.6000109.7R309R309-D315 IonicContact CZ-OD1 3.63Å; R309-D315 IonicContact NH1-OD1 3.4Å; R309-D315 PolarHBondContact NH1-OD1 3.36Å; R309-D315 IonicContact NH1-OD2 3.4Å; R309-D315 IonicContact NH2-OD1 2.84Å; R309-D315 PolarHBondContact NH2-OD1 2.88Å
316V41.1Very low39.9Very low125 Ų125142.5 Ų142.576%0.75877%0.774SS**  trans-90.6102.3171.7-179.60000109.2I314 G318I314-V316 HydrophobicContact CG2-CG2 4.19Å; I314-V316 PolarHBondContact O-N 3.07Å; V316-G318 PolarHBondContact O-N 2.83Å
317I36.4Very low40.3Very low174 Ų174146.4 Ų146.489%0.89279%0.788SS**  trans-84.788.3177.1-57.6177.8000108.8
318G36.2Very low40.6Very low56 Ų56141.4 Ų141.458%0.57778%0.78SS**SBendtrans-175.888.7-179.400000115.9V316V316-G318 PolarHBondContact O-N 2.83Å
319Q36.1Very low40.1Very low184 Ų184143.2 Ų143.286%0.8679%0.787SS**  trans55.170.8152.4-56.6-1745.800119
320T48.2Very low40.7Very low138 Ų138146.2 Ų146.285%0.84780%0.798SS**  trans31.4101.5131.756.40000119.9
321I37.6Very low40.8Very low162 Ų162151 Ų15183%0.83181%0.806SS**  trans-130.9130.5144-60.2-177.4000109
322T45.7Very low40.4Very low135 Ų135148.6 Ų148.683%0.82880%0.798SS**  trans-87112.6-179.651.20000111.7S324T322-S324 PolarHBondContact O-N 3.03Å
323I37.5Very low39.4Very low166 Ų166151.1 Ų151.185%0.85179%0.792SS**  trans-83.2104.3173.6-57178.8000109.6
324S38.5Very low39.6Very low97 Ų97157.4 Ų157.468%0.67881%0.812SS**  trans-75.2139.8169.8-172.20000110.8T322 V326T322-S324 PolarHBondContact O-N 3.03Å; S324-V326 PolarHBondContact O-N 2.64Å
325R52.3Low39.5Very low247 Ų247155.5 Ų155.593%0.93280%0.804SS**  trans-77.9115.6170.3-70.7-176.217592.9-2.9109.3
326V32.2Very low39.5Very low131 Ų131155.7 Ų155.779%0.79481%0.814SS**  trans-129.4119.1165.8179.40000109.1S324S324-V326 PolarHBondContact O-N 2.64Å
327E40.5Very low39.3Very low191 Ų191156.5 Ų156.589%0.89381%0.814SS**  trans-88.7144175.6-172.3177.9143.300110.6
328G43.3Very low39.2Very low74 Ų74155.9 Ų155.976%0.76381%0.811SS**  trans60.693.4154.600000118.7
329R31.8Very low39.4Very low250 Ų250160.1 Ų160.194%0.94382%0.815SS**  trans-141.4111.4148.9-148.2173.3-167.2-178.93.8113.1
330R47.8Very low39.3Very low242 Ų242157.8 Ų157.891%0.91381%0.813SS**  trans-79.9130.9170.5-57.4177.7-179.4-141.20.4110
331R39.3Very low38.7Very low250 Ų250158.4 Ų158.494%0.94381%0.811SS**  trans174.7152.1142.4-74.2-141.9-178.6165.5-0.2107.2
332A30.9Very low38.6Very low87 Ų87155.4 Ų155.472%0.71980%0.804SS**  cis-171.8133.5-28.100000105.6
333N29Very low38.4Very low136 Ų136156 Ų15673%0.72780%0.798SS**  trans-142.9109.4163.1-172.434.3000108.7N335N333-N335 PolarHBondContact ND2-OD1 3.41Å; N333-N335 PolarHBondContact OD1-OD1 3.11Å
334E42.8Very low38.2Very low186 Ų186157.9 Ų157.987%0.86979%0.794SS**  trans-106.386.5-175.3-70.5-174.5157.600110.7
335N43.2Very low38Very low118 Ų118158.8 Ų158.863%0.63180%0.801SS**  trans-167.366.6165.237.345.6000114.4N333N333-N335 PolarHBondContact ND2-OD1 3.41Å; N333-N335 PolarHBondContact OD1-OD1 3.11Å
336S39.2Very low36.9Very low120 Ų120151.5 Ų151.584%0.83979%0.793SS**  trans-159.8109.8144-84.70000110.5
337N35.8Very low36.9Very low143 Ų143151.2 Ų151.277%0.76579%0.792SS**  trans-76.5124.6171.5-92.6-15.2000109.8
338I36.3Very low36.9Very low160 Ų160150.8 Ų150.882%0.82179%0.79SS**  trans-125.4102.2150.4-56.4-176.9000106.1
339Q39.5Very low36.6Very low145 Ų145153 Ų15368%0.67879%0.788SS**  trans-85.1127.8178.6-69.1-178.7-8.600109.4
340V34.6Very low36.8Very low135 Ų135148.3 Ų148.382%0.81878%0.782SS**  trans-90.7114.7173.4-170.50000108
341L34.1Very low36.5Very low152 Ų152143.1 Ų143.180%0.79677%0.772SS**  trans-134.6115175.5-89.9167.5000109.8
342S35.3Very low36.5Very low99 Ų99138.5 Ų138.569%0.69277%0.766SS**  trans-101.8144.2171.3-62.10000110.1
343E41.7Very low36.7Very low148 Ų148144.5 Ų144.569%0.69278%0.776SS**  trans67.5146.2174.2-31.2-174.8154.400114.8
344R34.3Very low37.1Very low205 Ų205142.4 Ų142.477%0.77477%0.772SS**  cis-148.9144.421-70.6178.8171.5-131-15113
345S33.8Very low37Very low116 Ų116143.1 Ų143.181%0.81177%0.773SS**  trans33.9114.2146.463.10000122
346A29Very low37.1Very low93 Ų93142.7 Ų142.777%0.76978%0.777SS**  trans-159.5116.513600000112.3
347T33.7Very low37.7Very low125 Ų125142.3 Ų142.377%0.76777%0.771SS**  trans2312014852.20000122.6
348E38.9Very low38.8Very low183 Ų183140.8 Ų140.886%0.85577%0.769SS**  91.9157.5124.6-152.4166.1-176.800121
349V38.1Very low39.8Very low121 Ų121142 Ų14273%0.73377%0.768SS**  trans80.393.3174.4-166.60000118.9
350D36.1Very low40.7Very low150 Ų150143.4 Ų143.480%0.80277%0.773SS**  trans68.6144.3141.8-79-50.8000126
351N41.6Very low41.6Very low134 Ų134141.7 Ų141.772%0.71776%0.764SS**  trans-118.7149.4171.4-64.4-104.5000109.1
352N39.3Very low42.1Very low153 Ų153140.6 Ų140.682%0.81877%0.766SS**  trans138.9105.6132.8-72.2-43.9000113.6
353F33.4Very low42.9Very low212 Ų212139.5 Ų139.593%0.9377%0.771SS**SBendtrans-179123.8141.6-123.2-107.3000106.5
354S38.4Very low43.5Very low92 Ų92136.9 Ų136.964%0.64377%0.774SS**  cis-142.8152.7-12-83.80000109.3
355K39.8Very low44.6Very low201 Ų201132.1 Ų132.187%0.87477%0.77SS**PPolyproline II helixtrans-75.2144173.9-94.6173175.9167.90111.1
356P46.3Very low45.9Very low110 Ų110132.1 Ų132.171%0.71477%0.768SS**PPolyproline II helixtrans-66161.3172.329.6-35.4000111.6
357P52.9Low47.3Very low112 Ų112134.6 Ų134.673%0.72777%0.773SS**PPolyproline II helixtrans-61.3156.8176.627.1-35.8000112.2F359P357-F359 PolarHBondContact O-N 2.79Å
358P57.4Low48.4Very low110 Ų110137.1 Ų137.171%0.71478%0.776SS**PPolyproline II helixtrans-63.2127.5-176.725.7-34.4000112.1F360P358-F360 PolarHBondContact O-N 2.96Å
359F57.8Low49.3Very low185 Ų185135.5 Ų135.581%0.81177%0.773SS**  trans-73.4113.5174.3-177.5-92000110P357P357-F359 PolarHBondContact O-N 2.79Å
360F59.2Low50.5Low175 Ų175135 Ų13577%0.76877%0.772SS**  trans-77130.3170.8-74.8-94.1000110P358P358-F360 PolarHBondContact O-N 2.96Å
361P53.3Low51.8Low99 Ų99133.5 Ų133.564%0.64377%0.77SS**  trans-66.3136.716928.8-33.4000109.7G363P361-G363 PolarHBondContact O-N 2.71Å; P361-G363 VanDerWaalsContact O-N 3.11Å
362P44.5Very low52.9Low129 Ų129132.2 Ų132.284%0.83877%0.769SS**THydrogen-bonded Turntrans-71.1108.2-178.528.1-33.7000110.6
363G52.5Low54.1Low77 Ų77130.5 Ų130.579%0.79477%0.766SS**THydrogen-bonded Turntrans166.2-19.1171.800000118.6P361P361-G363 PolarHBondContact O-N 2.71Å; P361-G363 VanDerWaalsContact O-N 3.11Å
364A53.8Low55.7Low92 Ų92130.3 Ų130.376%0.7677%0.765SS**  trans-117.9113.4-17200000113.5
365P56.4Low57Low106 Ų106133.3 Ų133.369%0.68877%0.773SS**  trans-78.6153.1170.132.5-33.9000111.9
366P60.6Low58.3Low116 Ų116128.9 Ų128.975%0.75377%0.765SS**  trans-68.7133.7-179.327.6-34.4000112.5H368P366-H368 PolarHBondContact O-N 2.9Å
367T59.7Low59.1Low145 Ų145129.1 Ų129.189%0.8977%0.767SS**SBendtrans-80.738.7-16747.60000115.2
368H57.2Low59.2Low177 Ų177129.2 Ų129.282%0.81977%0.767SS**  trans-136.728.8-175.9-144.2-69.1000115.8P366P366-H368 PolarHBondContact O-N 2.9Å
369L57.2Low59.1Low150 Ų150129.8 Ų129.879%0.78577%0.771SS**SBendtrans-114.6141.8163.5-68.9172.7000109.5
370P63.7Low58.6Low110 Ų110127 Ų12771%0.71477%0.77SS**PPolyproline II helixtrans-63.9147.2170.929.3-34.3000109.8
371P62.2Low58.1Low118 Ų118126.2 Ų126.277%0.76678%0.778SS**PPolyproline II helixtrans-61.4139.5179.725.9-34.1000110.6
372P65.2Low57.9Low108 Ų108126.1 Ų126.170%0.70178%0.78SS**PPolyproline II helixtrans-61.8149.717427.7-34.5000110.1F374P372-F374 PolarHBondContact O-N 2.69Å
373P64Low58Low116 Ų116126.5 Ų126.575%0.75378%0.781SS**PPolyproline II helixtrans-60.5135.717826.4-34.3000110.2L375P373-L375 PolarHBondContact O-N 2.72Å
374F68.4Low57.6Low208 Ų208126.9 Ų126.991%0.91278%0.776SS**  trans-55.9111.8174.2-77.1-89.7000110P372P372-F374 PolarHBondContact O-N 2.69Å
375L65.9Low57.4Low155 Ų155127.7 Ų127.781%0.81277%0.774SS**PPolyproline II helixtrans-67.3135.6162.8-65.5176000107.9P373P373-L375 PolarHBondContact O-N 2.72Å
376P66.2Low57.1Low108 Ų108128.4 Ų128.470%0.70178%0.778SS**PPolyproline II helixtrans-61.3150.6170.928.1-34.2000109.5
377P63.3Low56.5Low116 Ų116131.1 Ų131.175%0.75379%0.785SS**PPolyproline II helixtrans-57.6146.6176.225.7-34.5000110.3
378P53.8Low56.3Low114 Ų114131.6 Ų131.674%0.7478%0.781SS**PPolyproline II helixtrans-57.9141.9175.926-34.2000109.7T380P378-T380 PolarHBondContact O-N 2.69Å
379P55.5Low56.2Low122 Ų122127.9 Ų127.979%0.79277%0.773SS**PPolyproline II helixtrans-58.5136.3177.125.7-33.9000109.6
380T48.8Very low55.7Low127 Ų127125.7 Ų125.778%0.77977%0.767SS**PPolyproline II helixtrans-56.9140.8177470000110.1P378 S382P378-T380 PolarHBondContact O-N 2.69Å; T380-S382 PolarHBondContact O-N 2.95Å
381V48.1Very low55Low157 Ų157127 Ų12795%0.95278%0.776SS**SBendtrans-78.357.2-175.2-163.20000110.6
382S48.4Very low54.5Low98 Ų98125 Ų12569%0.68578%0.776SS**  trans-143.152.8-174.9-160.30000111.8T380T380-S382 PolarHBondContact O-N 2.95Å
383T47.3Very low53.9Low137 Ų137126.7 Ų126.784%0.8478%0.778SS**  trans-151.174.1153.6-60.90000108
384A43.4Very low53Low84 Ų84126.1 Ų126.169%0.69477%0.774SS**PPolyproline II helixtrans-68.8142.1158.600000108.5
385P50.6Low51.9Low110 Ų110123.4 Ų123.471%0.71477%0.767SS**PPolyproline II helixtrans-60.8144.516927.7-34000109.5L387P385-L387 PolarHBondContact O-N 3.34Å
386P50.3Low51.1Low121 Ų121122 Ų12279%0.78677%0.765SS**PPolyproline II helixtrans-60.2123.9-174.123.3-33.6000111.1I388P386-I388 PolarHBondContact O-N 3.21Å
387L48Very low50.3Low172 Ų172122.3 Ų122.390%0.90177%0.765SS**  trans-62.8107.8177.9-79.5164.5000110.1P385 P389P385-L387 PolarHBondContact O-N 3.34Å; L387-P389 WeakPolarHBondContact O-CD 3.46Å
388I55.8Low49.7Very low155 Ų155121.4 Ų121.480%0.79576%0.76SS**PPolyproline II helixtrans-68.6118.9171.9-60173.6000107.6P386P386-I388 PolarHBondContact O-N 3.21Å
389P53.5Low49.7Very low100 Ų100121.2 Ų121.265%0.64976%0.758SS**PPolyproline II helixtrans-66.1148.5177.727.7-34.4000110.9L387L387-P389 WeakPolarHBondContact O-CD 3.46Å
390P47.9Very low49.4Very low104 Ų104122 Ų12268%0.67576%0.763SS**PPolyproline II helixtrans-63.6128.4-173.224.5-34000111.9G392P390-G392 PolarHBondContact O-N 3.25Å; P390-G392 VanDerWaalsContact O-N 3.08Å
391P49Very low49.4Very low138 Ų138119.6 Ų119.690%0.89676%0.763SS**THydrogen-bonded Turntrans-73.7103.2-179.929.2-33.9000110.6
392G51.2Low49.8Very low74 Ų74121.2 Ų121.276%0.76376%0.758SS**THydrogen-bonded Turntrans-176.2-21.5178.200000117.4P390P390-G392 PolarHBondContact O-N 3.25Å; P390-G392 VanDerWaalsContact O-N 3.08Å
393I53.4Low50Low144 Ų144121.5 Ų121.574%0.73876%0.758SS**  trans-90.5121.7-179.90.8175.7000111.2I395I393-I395 PolarHBondContact O-N 3.16Å
394P44.2Very low50.2Low104 Ų104120.4 Ų120.468%0.67575%0.753SS**  trans-73.4111.6168.929.4-31.9000109.6T396P394-T396 PolarHBondContact O-N 2.86Å
395I44.2Very low50.6Low151 Ų151121.8 Ų121.877%0.77476%0.755SS**  trans-73.696.9175.7-55.1175.4000108.3I393 V397I393-I395 PolarHBondContact O-N 3.16Å; I395-V397 VanDerWaalsContact C-N 3.34Å
396T49.8Very low50.3Low125 Ų125123.1 Ų123.177%0.76776%0.764SS**  trans-89.84.1179.351.60000113.8P394 P398P394-T396 PolarHBondContact O-N 2.86Å; T396-P398 WeakPolarHBondContact O-CD 3.32Å
397V49.7Very low50.4Low115 Ų115121.1 Ų121.170%0.69777%0.765SS**  trans-96.6111.7176.8-177.30000109.2I395I395-V397 VanDerWaalsContact C-N 3.34Å
398P50.6Low50.5Low98 Ų98117.2 Ų117.264%0.63676%0.757SS**PPolyproline II helixtrans-69.5151170.930.2-34.1000110.6T396T396-P398 WeakPolarHBondContact O-CD 3.32Å
399P53.1Low50.4Low110 Ų110115.2 Ų115.271%0.71475%0.754SS**PPolyproline II helixtrans-62.8149.8-179.326-34.5000112.2G401P399-G401 PolarHBondContact O-N 3.29Å
400P49.8Very low49.9Very low138 Ų138116.1 Ų116.190%0.89676%0.76SS**THydrogen-bonded Turntrans-65.7125.1-174.926.8-34.5000111.5
401G48.8Very low49.8Very low76 Ų76117.1 Ų117.178%0.78477%0.767SS**THydrogen-bonded Turntrans143.8-20.2174.900000115.2P399P399-G401 PolarHBondContact O-N 3.29Å
402F56.1Low49.7Very low191 Ų191115.1 Ų115.184%0.83876%0.756SS**PPolyproline II helixtrans-93.9123.2-179.7-120.2-93.7000112.5
403P54.4Low49.4Very low105 Ų105120.3 Ų120.368%0.68277%0.766SS**PPolyproline II helixtrans-74.7136.517230.3-32.9000110.7
404P51.1Low49Very low114 Ų114119.3 Ų119.374%0.7476%0.76SS**PPolyproline II helixtrans-71.1150.4175.729.7-34.6000111.5
405P51Low48.7Very low113 Ų113120.6 Ų120.673%0.73477%0.768SS**PPolyproline II helixtrans-66.2142.6177.827.8-34.6000111.7G407P405-G407 PolarHBondContact O-N 2.88Å
406P44.6Very low48.4Very low138 Ų138118.8 Ų118.890%0.89677%0.765SS**THydrogen-bonded Turntrans-73.2120.8-174.829-34.5000111.9
407G53.1Low48.4Very low78 Ų78121.2 Ų121.280%0.80477%0.771SS**THydrogen-bonded Turntrans145.6-16.2167.100000116.8P405P405-G407 PolarHBondContact O-N 2.88Å
408A49Very low47.7Very low91 Ų91123.9 Ų123.975%0.75278%0.776SS**PPolyproline II helixtrans-79.1135179.300000112.2
409P54Low47.1Very low112 Ų112123.9 Ų123.973%0.72778%0.778SS**PPolyproline II helixtrans-70.9155171.430.8-34.6000111.2
410P43.3Very low46.4Very low119 Ų119121.7 Ų121.777%0.77378%0.776SS**PPolyproline II helixtrans-67.8143.1-179.328.4-35.1000111.9S412P410-S412 PolarHBondContact O-N 3.13Å
411P45.8Very low46Very low126 Ų126123.4 Ų123.482%0.81877%0.771SS**PPolyproline II helixtrans-68.8131178.728.2-34.2000111.5
412S46.2Very low45.5Very low96 Ų96125.4 Ų125.467%0.67177%0.774SS**PPolyproline II helixtrans-78.1125.1178.251.30000112.1P410 I414P410-S412 PolarHBondContact O-N 3.13Å; S412-I414 PolarHBondContact O-N 3.18Å
413L45.2Very low44.8Very low183 Ų183122.2 Ų122.296%0.95878%0.775SS**SBendtrans-75.461.7176.2-74.9165.7000112.7
414I44.5Very low44.1Very low123 Ų123120 Ų12063%0.63177%0.771SS**SBendtrans-138.1121.4172.2-55.3179.3000108.5S412 T416S412-I414 PolarHBondContact O-N 3.18Å; I414-T416 PolarHBondContact O-N 3.37Å
415P38.5Very low43.2Very low130 Ų130125.7 Ų125.784%0.84478%0.78SS**  trans-69.198.7172.6-19.233.1000111.4I417P415-I417 PolarHBondContact O-N 2.96Å
416T37.6Very low42.3Very low113 Ų113125.5 Ų125.569%0.69377%0.773SS**  trans-78.6115.9174.347.10000111I414 E418I414-T416 PolarHBondContact O-N 3.37Å; T416-E418 PolarHBondContact O-N 3.47Å
417I49.8Very low42Very low177 Ų177124.6 Ų124.691%0.90877%0.769SS**  trans-81.394.2169.844.4163.6000110.8P415P415-I417 PolarHBondContact O-N 2.96Å
418E34.8Very low41.1Very low171 Ų171130.7 Ų130.780%0.79977%0.768SS**  trans-129.3114172.8-161.1168.4-160.200107.1T416T416-E418 PolarHBondContact O-N 3.47Å
419S38.5Very low40.3Very low97 Ų97132.4 Ų132.468%0.67878%0.775SS**  cis81.964.550-170.80000114.2
420G39.4Very low39.7Very low65 Ų65132 Ų13267%0.6778%0.781SS**  trans80175.2169.700000114.2
421H40.4Very low39.1Very low173 Ų173137.5 Ų137.580%0.80179%0.786SS**  cis-149166.5-0.5-66.6-95.5000109.8
422S38.9Very low38.4Very low119 Ų119134.8 Ų134.883%0.83277%0.774SS**  154.1166.8114.562.20000114.9
423S40.1Very low37.9Very low123 Ų123139.1 Ų139.186%0.8678%0.781SS**  trans77.6113.1-179-152.80000116
424G40.9Very low38.3Very low59 Ų59134.4 Ų134.461%0.60876%0.762SS**  cis129143.6-1.800000112.3
425Y30.8Very low37.8Very low234 Ų234139.6 Ų139.692%0.91878%0.775SS**  trans71.1142.7-163.4-68.7-90.4000114.8
426D32.1Very low37.4Very low109 Ų109136.6 Ų136.658%0.58377%0.767SS**  cis-137.3155.4-11.1-175.428000109.9R428D426-R428 WeakPolarHBondContact OD2-CD 3.39Å; D426-R428 IonicContact OD2-NE 2.78Å; D426-R428 PolarHBondContact OD2-NE 3Å
427S39.2Very low37.6Very low118 Ų118139.3 Ų139.383%0.82578%0.778SS**  trans-112.686.2-173.4-69.20000112
428R33.8Very low37Very low206 Ų206136.8 Ų136.878%0.77777%0.77SS**  trans-137.7120.8178.2-68.1-172.9-178.5-104.6-7115.7D426D426-R428 WeakPolarHBondContact OD2-CD 3.39Å; D426-R428 IonicContact OD2-NE 2.78Å; D426-R428 PolarHBondContact OD2-NE 3Å
429S32.6Very low37.2Very low128 Ų128133.5 Ų133.590%0.89577%0.772SS**  trans65.8122.5145.8-58.50000120.3
430A41.3Very low37.1Very low103 Ų103137.6 Ų137.685%0.85178%0.778SS**  trans-100.4144.8169.400000113.1
431R31.8Very low37.2Very low234 Ų234139.7 Ų139.788%0.88378%0.78SS**  trans-162107.6157.4-139.6162.7-175.9163.81.4106.6
432A31.1Very low36.9Very low69 Ų69140.1 Ų140.157%0.5778%0.782SS**  55.2122.687.100000111.6
433F35.1Very low36.7Very low188 Ų188142.3 Ų142.383%0.82578%0.783SS**  cis-165.7-169.441.7-87.2-69.3000109.8
434P52.5Low36.8Very low84 Ų84142.8 Ų142.855%0.54578%0.784SS.*  cis-134.9176.7-39.432-12.5000114.9
435Y34.7Very low36.5Very low232 Ų232143.2 Ų143.291%0.9179%0.788SS**  trans69.2139.6164.2-51.7-60.9000118.7
436G31.1Very low37.4Very low66 Ų66138.5 Ų138.568%0.6879%0.789SS**  cis-163.5151.2-3.800000113.7
437N41.1Very low37.5Very low170 Ų170137.2 Ų137.291%0.90979%0.794SS**  trans-72.1131.6177-87.8-4000111.5
438V37.7Very low37.7Very low125 Ų125137.5 Ų137.576%0.75879%0.793SS**  trans-125.2109.1153.8-79.40000108.8F440V438-F440 HydrophobicContact CG2-CE2 4.38Å
439A38Very low37.8Very low101 Ų101133.1 Ų133.184%0.83579%0.794SS**PPolyproline II helixtrans-88.7121.6174.600000109.2
440F36.3Very low38.3Very low184 Ų184138 Ų13881%0.80779%0.793SS**PPolyproline II helixtrans-89.7135.3170.9-77.8-87.5000110.3V438V438-F440 HydrophobicContact CG2-CE2 4.38Å
441P41.3Very low38.5Very low108 Ų108139.4 Ų139.470%0.70179%0.793SS**PPolyproline II helixtrans-72.2140.7174.930.6-34000110.7L443P441-L443 PolarHBondContact O-N 3.13Å
442H35Very low39.6Very low183 Ų183133.4 Ų133.485%0.84779%0.787SS**PPolyproline II helixtrans-76.3121.8173.442.4-95.4000110.4
443L35Very low40.4Very low164 Ų164137.4 Ų137.486%0.85980%0.798SS**PPolyproline II helixtrans-90.8131.1168.1-84.2159.9000109.5P441 G445P441-L443 PolarHBondContact O-N 3.13Å; L443-G445 PolarHBondContact O-N 3Å
444P40.8Very low41.4Very low134 Ų134133.4 Ų133.487%0.8779%0.789SS**  trans-78.990-179.831.4-33.7000110.8
445G34.7Very low40.9Very low68 Ų68133.2 Ų133.270%0.70178%0.783SS**  trans-134.6127.2175.800000111.2L443L443-G445 PolarHBondContact O-N 3Å
446S49.8Very low41.7Very low134 Ų134126.7 Ų126.794%0.93777%0.768SS**  trans-74.8129.4-176.2-172.10000112.2
447A35.2Very low42.8Very low83 Ų83127.6 Ų127.669%0.68676%0.764SS**  trans-139.6145.5161.700000108.7
448P42.6Very low43.7Very low124 Ų124124.8 Ų124.881%0.80574%0.743SS**PPolyproline II helixtrans-67.1136.3-171.1-21.434000113.2W450P448-W450 PolarHBondContact O-N 2.94Å
449S35.6Very low44.7Very low114 Ų114123.1 Ų123.180%0.79773%0.727SS**PPolyproline II helixtrans-61.6134164.8-1790000109.8
450W44.4Very low46Very low229 Ų229128.3 Ų128.387%0.86773%0.726SS**PPolyproline II helixtrans-55.4143.6165.8-72.181.5000110.2P448 S452P448-W450 PolarHBondContact O-N 2.94Å; W450-S452 PolarHBondContact O-N 3.38Å
451P44.2Very low47.8Very low133 Ų133124.7 Ų124.786%0.86472%0.715SS**SBendtrans-78.464.8-179.433.2-36.4000111.5
452S55.3Low49.3Very low109 Ų109126.1 Ų126.176%0.76271%0.707SS**  trans-131.757.4174.5-167.10000112W450W450-S452 PolarHBondContact O-N 3.38Å
453L49.3Very low51.1Low152 Ų152124 Ų12480%0.79669%0.692SS**  trans-130.894.4143.5-163.974.8000107.6D455L453-D455 PolarHBondContact O-N 3.06Å
454V54.8Low53Low104 Ų104118.7 Ų118.763%0.6367%0.672SS**  trans-61.3118.5156.8-73.80000106.2T456V454-T456 PolarHBondContact O-N 2.87Å
455D42.2Very low54.7Low80 Ų80120.8 Ų120.843%0.42866%0.663SS.*  trans-54.9108.3175.7171.10.6000108.3L453 S457 K458L453-D455 PolarHBondContact O-N 3.06Å; D455-S457 PolarHBondContact O-N 3.31Å; D455-S457 WeakPolarHBondContact OD1-CB 3.45Å; D455-S457 PolarHBondContact OD1-N 3.44Å; D455-S457 PolarHBondContact OD1-OG 3.06Å; D455-S457 PolarHBondContact OD2-OG 3.17Å; D455-S457 VanDerWaalsContact OD2-OG 3.13Å; D455-K458 PolarHBondContact O-N 3.43Å; D455-K458 IonicContact OD2-NZ 3.82Å; D455-K458 PolarHBondContact OD2-NZ 3.26Å
456T51.8Low56.8Low96 Ų96123.2 Ų123.259%0.58965%0.651SS**G310 helixtrans-59.1-21.9-168.8-37.30000112.1V454 K458 Q459V454-T456 PolarHBondContact O-N 2.87Å; T456-K458 PolarHBondContact O-N 3.35Å; T456-Q459 PolarHBondContact O-N 2.88Å
457S53.3Low58.5Low84 Ų84122.2 Ų122.259%0.58763%0.631SS**G310 helixtrans-62.9-19.4172.9710000114.4D455D455-S457 PolarHBondContact O-N 3.31Å; D455-S457 WeakPolarHBondContact OD1-CB 3.45Å; D455-S457 PolarHBondContact OD1-N 3.44Å; D455-S457 PolarHBondContact OD1-OG 3.06Å; D455-S457 PolarHBondContact OD2-OG 3.17Å; D455-S457 VanDerWaalsContact OD2-OG 3.13Å
458K61.1Low61Low111 Ų111124.3 Ų124.348%0.48363%0.625SS.*G310 helixtrans-116.212.1-175.7-61.8177.1-173.660.40113.8D455 T456 W460 D461 Y462D455-K458 PolarHBondContact O-N 3.43Å; D455-K458 IonicContact OD2-NZ 3.82Å; D455-K458 PolarHBondContact OD2-NZ 3.26Å; T456-K458 PolarHBondContact O-N 3.35Å; K458-W460 PolarHBondContact O-N 3.46Å; K458-D461 PolarHBondContact O-N 2.99Å; K458-D461 VanDerWaalsContact O-N 3.12Å; K458-Y462 PolarHBondContact O-N 2.88Å
459Q59Low63.1Low90 Ų90121.9 Ų121.942%0.42161%0.605SS.*Hα-helixtrans-58.2-36.2179.6-170.1174.1900111.9T456 Y462 Y463T456-Q459 PolarHBondContact O-N 2.88Å; Q459-Y462 PolarHBondContact O-N 3.43Å; Q459-Y463 HydrophobicContact CG-CD2 4.2Å; Q459-Y463 HydrophobicContact CG-CE2 3.92Å; Q459-Y463 VanDerWaalsContact O-CD2 3.31Å; Q459-Y463 WeakPolarHBondContact O-CD2 3.11Å; Q459-Y463 PolarHBondContact O-N 3.47Å
460W65.1Low65.7Low211 Ų211122 Ų12280%0.79959%0.588SS**Hα-helixtrans-63.3-42.1175.4-60.5106.7000113.2K458 Y462 Y463 A464K458-W460 PolarHBondContact O-N 3.46Å; W460-Y462 VanDerWaalsContact C-N 3.28Å; W460-Y462 PolarHBondContact O-N 3.39Å; W460-Y463 PolarHBondContact O-N 3.19Å; W460-A464 WeakPolarHBondContact O-CB 3.28Å; W460-A464 PolarHBondContact O-N 3.09Å
461D73Confident67.9Low108 Ų108113.7 Ų113.758%0.57856%0.561SS**Hα-helixtrans-62.9-35.2176.3-69.3-43000111.9K458 R465K458-D461 PolarHBondContact O-N 2.99Å; K458-D461 VanDerWaalsContact O-N 3.12Å; D461-R465 WeakPolarHBondContact O-CB 3.48Å; D461-R465 PolarHBondContact O-N 3.37Å
462Y73.7Confident70.1Confident137 Ų137112.4 Ų112.454%0.53754%0.538SS..Hα-helixtrans-67.1-42.3177.2-169.6-89.6000111.7K458 Q459 W460 R466K458-Y462 PolarHBondContact O-N 2.88Å; Q459-Y462 PolarHBondContact O-N 3.43Å; W460-Y462 VanDerWaalsContact C-N 3.28Å; W460-Y462 PolarHBondContact O-N 3.39Å; Y462-R466 VanDerWaalsContact O-CB 3.29Å; Y462-R466 WeakPolarHBondContact O-CB 3.5Å; Y462-R466 PolarHBondContact O-N 2.93Å; Y462-R466 PolarHBondContact OH-NH2 3.39Å
463Y72.9Confident71.8Confident139 Ų139112.4 Ų112.455%0.54553%0.526SS..Hα-helixtrans-66.7-47.8174.4-78.9-69.5000112.3Q459 W460 R465 R466 E467Q459-Y463 HydrophobicContact CG-CD2 4.2Å; Q459-Y463 HydrophobicContact CG-CE2 3.92Å; Q459-Y463 VanDerWaalsContact O-CD2 3.31Å; Q459-Y463 WeakPolarHBondContact O-CD2 3.11Å; Q459-Y463 PolarHBondContact O-N 3.47Å; W460-Y463 PolarHBondContact O-N 3.19Å; Y463-R465 VanDerWaalsContact C-N 3.3Å; Y463-R465 PolarHBondContact O-N 2.84Å; Y463-R466 PolarHBondContact O-N 3.3Å; Y463-E467 WeakPolarHBondContact O-CB 3.5Å; Y463-E467 PolarHBondContact O-N 3.49Å
464A75.4Confident73.9Confident52 Ų52110 Ų11043%0.4351%0.507SS..Hα-helixtrans-62.1-36.6178.300000112.3W460 K468W460-A464 WeakPolarHBondContact O-CB 3.28Å; W460-A464 PolarHBondContact O-N 3.09Å; A464-K468 VanDerWaalsContact O-CB 3.26Å; A464-K468 WeakPolarHBondContact O-CB 3.48Å; A464-K468 PolarHBondContact O-N 3.41Å
465R76.1Confident75.6Confident178 Ų178109 Ų10967%0.67250%0.498SS*.Hα-helixtrans-69.4-46.3174.5-171168-175.9161.20.8111.7D461 Y463 E467 K468 D469D461-R465 WeakPolarHBondContact O-CB 3.48Å; D461-R465 PolarHBondContact O-N 3.37Å; Y463-R465 VanDerWaalsContact C-N 3.3Å; Y463-R465 PolarHBondContact O-N 2.84Å; R465-E467 VanDerWaalsContact C-N 3.32Å; R465-E467 PolarHBondContact O-N 3.47Å; R465-K468 PolarHBondContact O-N 3.35Å; R465-D469 WeakPolarHBondContact O-CB 3.2Å; R465-D469 PolarHBondContact O-N 3.4Å
466R78.8Confident78.1Confident120 Ų120111.2 Ų111.245%0.45350%0.5SS..Hα-helixtrans-61.7-38.4176179.4179.2-82.2-143-2.3112.1Y462 Y463 R470Y462-R466 VanDerWaalsContact O-CB 3.29Å; Y462-R466 WeakPolarHBondContact O-CB 3.5Å; Y462-R466 PolarHBondContact O-N 2.93Å; Y462-R466 PolarHBondContact OH-NH2 3.39Å; Y463-R466 PolarHBondContact O-N 3.3Å; R466-R470 WeakPolarHBondContact O-CG 3.28Å; R466-R470 PolarHBondContact O-N 3.18Å; R466-R470 VanDerWaalsContact O-N 3.12Å
467E84.2Confident79.9Confident113 Ų113109.3 Ų109.353%0.52849%0.487SS..Hα-helixtrans-61.6-54.2172.5179.5176.3-121.800111.2Y463 R465 D469 R470 D471Y463-E467 WeakPolarHBondContact O-CB 3.5Å; Y463-E467 PolarHBondContact O-N 3.49Å; R465-E467 VanDerWaalsContact C-N 3.32Å; R465-E467 PolarHBondContact O-N 3.47Å; E467-D469 PolarHBondContact O-N 2.98Å; E467-R470 CarbonylContact O-C 3.51Å; E467-R470 WeakPolarHBondContact O-CA 3.42Å; E467-R470 WeakPolarHBondContact O-CB 3.28Å; E467-R470 PolarHBondContact O-N 2.95Å; E467-D471 PolarHBondContact O-N 3.06Å
468K89.3Confident81.8Confident126 Ų126110.5 Ų110.555%0.54848%0.478SS..Hα-helixtrans-58.8-32.4178.2-167.1176.2-176.2167.40113A464 R465 D471 R472A464-K468 VanDerWaalsContact O-CB 3.26Å; A464-K468 WeakPolarHBondContact O-CB 3.48Å; A464-K468 PolarHBondContact O-N 3.41Å; R465-K468 PolarHBondContact O-N 3.35Å; K468-D471 PolarHBondContact O-N 3.26Å; K468-R472 WeakPolarHBondContact O-CG 3.28Å; K468-R472 PolarHBondContact O-N 2.84Å; K468-R472 VanDerWaalsContact O-N 3.11Å; K468-R472 PolarHBondContact O-NH1 2.94Å
469D85.9Confident83.3Confident73 Ų73110.6 Ų110.639%0.3948%0.48SS..Hα-helixtrans-69.3-40.3174.6-65.4-20.5000111.1R465 E467 R472 E473R465-D469 WeakPolarHBondContact O-CB 3.2Å; R465-D469 PolarHBondContact O-N 3.4Å; E467-D469 PolarHBondContact O-N 2.98Å; D469-R472 VanDerWaalsContact CA-NH1 3.34Å; D469-R472 PolarHBondContact O-N 3.39Å; D469-R472 IonicContact OD1-CZ 3.11Å; D469-R472 IonicContact OD1-NH1 2.75Å; D469-R472 PolarHBondContact OD1-NH1 3.16Å; D469-R472 IonicContact OD1-NH2 2.7Å; D469-R472 PolarHBondContact OD1-NH2 3.48Å; D469-E473 PolarHBondContact O-N 3.01Å; D469-E473 VanDerWaalsContact O-N 3.09Å
470R90.6Very high85Confident117 Ų117112.1 Ų112.144%0.44248%0.482SS..Hα-helixtrans-68.2-29168.3-63.5-172.9-156.9109.6-16.4114.1R466 E467 E473 R474R466-R470 WeakPolarHBondContact O-CG 3.28Å; R466-R470 PolarHBondContact O-N 3.18Å; R466-R470 VanDerWaalsContact O-N 3.12Å; E467-R470 CarbonylContact O-C 3.51Å; E467-R470 WeakPolarHBondContact O-CA 3.42Å; E467-R470 WeakPolarHBondContact O-CB 3.28Å; E467-R470 PolarHBondContact O-N 2.95Å; R470-E473 WeakPolarHBondContact O-CB 3.35Å; R470-E473 PolarHBondContact O-N 3.35Å; R470-R474 VanDerWaalsContact C-NH2 3.31Å; R470-R474 PolarHBondContact O-N 3.35Å; R470-R474 PolarHBondContact O-NE 2.9Å; R470-R474 PolarHBondContact O-NH2 3.48Å
471D89.7Confident86.2Confident55 Ų55105.1 Ų105.129%0.29446%0.461SS..Hα-helixtrans-67-46.5175.5-68.3-36.2000109.9E467 K468 E473 R474 D475E467-D471 PolarHBondContact O-N 3.06Å; K468-D471 PolarHBondContact O-N 3.26Å; D471-E473 PolarHBondContact O-N 2.9Å; D471-R474 PolarHBondContact O-N 2.96Å; D471-R474 IonicContact OD1-CZ 2.63Å; D471-R474 IonicContact OD1-NH1 2.69Å; D471-R474 PolarHBondContact OD1-NH1 3.34Å; D471-R474 IonicContact OD1-NH2 3.38Å; D471-R474 PolarHBondContact OD1-NH2 2.95Å; D471-D475 PolarHBondContact O-N 2.93Å
472R91.6Very high87.1Confident105 Ų105106.1 Ų106.140%0.39646%0.456SS..Hα-helixtrans-63.3-27.3172.9-67.9-169.8-143.782.2-33.1112.8K468 D469 R476K468-R472 WeakPolarHBondContact O-CG 3.28Å; K468-R472 PolarHBondContact O-N 2.84Å; K468-R472 VanDerWaalsContact O-N 3.11Å; K468-R472 PolarHBondContact O-NH1 2.94Å; D469-R472 VanDerWaalsContact CA-NH1 3.34Å; D469-R472 PolarHBondContact O-N 3.39Å; D469-R472 IonicContact OD1-CZ 3.11Å; D469-R472 IonicContact OD1-NH1 2.75Å; D469-R472 PolarHBondContact OD1-NH1 3.16Å; D469-R472 IonicContact OD1-NH2 2.7Å; D469-R472 PolarHBondContact OD1-NH2 3.48Å; R472-R476 VanDerWaalsContact C-NH1 3.27Å; R472-R476 VanDerWaalsContact O-CG 3.32Å; R472-R476 WeakPolarHBondContact O-CG 3.43Å; R472-R476 PolarHBondContact O-N 2.82Å; R472-R476 VanDerWaalsContact O-N 3.13Å; R472-R476 PolarHBondContact O-NH1 2.95Å
473E89.4Confident87.9Confident109 Ų109103.3 Ų103.351%0.50945%0.451SS..Hα-helixtrans-65.6-56.2171.9-166.4160.4-123.800110.4D469 R470 D471 D475 R476 D477D469-E473 PolarHBondContact O-N 3.01Å; D469-E473 VanDerWaalsContact O-N 3.09Å; R470-E473 WeakPolarHBondContact O-CB 3.35Å; R470-E473 PolarHBondContact O-N 3.35Å; D471-E473 PolarHBondContact O-N 2.9Å; E473-D475 PolarHBondContact O-N 3.43Å; E473-R476 WeakPolarHBondContact O-CB 3.18Å; E473-R476 PolarHBondContact O-N 3.38Å; E473-D477 PolarHBondContact O-N 3.4Å
474R93.9Very high88.8Confident103 Ų103101.6 Ų101.639%0.38944%0.443SS..Hα-helixtrans-55.7-33173.3-80.8173.2-86.2125.46113.4R470 D471 R478R470-R474 VanDerWaalsContact C-NH2 3.31Å; R470-R474 PolarHBondContact O-N 3.35Å; R470-R474 PolarHBondContact O-NE 2.9Å; R470-R474 PolarHBondContact O-NH2 3.48Å; D471-R474 PolarHBondContact O-N 2.96Å; D471-R474 IonicContact OD1-CZ 2.63Å; D471-R474 IonicContact OD1-NH1 2.69Å; D471-R474 PolarHBondContact OD1-NH1 3.34Å; D471-R474 IonicContact OD1-NH2 3.38Å; D471-R474 PolarHBondContact OD1-NH2 2.95Å; R474-R478 WeakPolarHBondContact O-CD 3.26Å; R474-R478 WeakPolarHBondContact O-CG 3.41Å; R474-R478 PolarHBondContact O-N 3.04Å; R474-R478 VanDerWaalsContact O-N 3.09Å
475D91.1Very high89.5Confident83 Ų83103.1 Ų103.144%0.44444%0.444SS..Hα-helixtrans-71.3-37.6174.4-74.4-26.8000113.3D471 E473 D477 R478 E479D471-D475 PolarHBondContact O-N 2.93Å; E473-D475 PolarHBondContact O-N 3.43Å; D475-D477 VanDerWaalsContact C-N 3.34Å; D475-R478 PolarHBondContact O-N 3.3Å; D475-R478 IonicContact OD1-CZ 3.9Å; D475-R478 IonicContact OD1-NH1 3.82Å; D475-R478 PolarHBondContact OD1-NH1 3.5Å; D475-E479 WeakPolarHBondContact O-CB 3.49Å; D475-E479 PolarHBondContact O-N 3.13Å
476R93.4Very high90.3Very high126 Ų12699.9 Ų99.948%0.47543%0.432SS..Hα-helixtrans-69.1-31.9172.2-69.9-179.6-152.8101.1-19.3112.4R472 E473 E479 R480R472-R476 VanDerWaalsContact C-NH1 3.27Å; R472-R476 VanDerWaalsContact O-CG 3.32Å; R472-R476 WeakPolarHBondContact O-CG 3.43Å; R472-R476 PolarHBondContact O-N 2.82Å; R472-R476 VanDerWaalsContact O-N 3.13Å; R472-R476 PolarHBondContact O-NH1 2.95Å; E473-R476 WeakPolarHBondContact O-CB 3.18Å; E473-R476 PolarHBondContact O-N 3.38Å; R476-E479 PolarHBondContact O-N 2.97Å; R476-R480 PolarHBondContact O-N 2.67Å; R476-R480 PolarHBondContact O-NE 2.84Å
477D90.8Very high90.8Very high56 Ų5699.9 Ų99.930%0.29944%0.437SS..Hα-helixtrans-64.3-51173.2-61.1-39.5000109.8E473 D475 E479 R480 D481E473-D477 PolarHBondContact O-N 3.4Å; D475-D477 VanDerWaalsContact C-N 3.34Å; D477-E479 PolarHBondContact O-N 2.68Å; D477-R480 PolarHBondContact O-N 2.75Å; D477-R480 VanDerWaalsContact O-N 3.13Å; D477-R480 IonicContact OD1-CZ 2.64Å; D477-R480 IonicContact OD1-NH1 2.9Å; D477-R480 PolarHBondContact OD1-NH1 3.17Å; D477-R480 IonicContact OD1-NH2 2.71Å; D477-R480 PolarHBondContact OD1-NH2 3.16Å; D477-D481 VanDerWaalsContact O-CG 3.24Å; D477-D481 PolarHBondContact O-N 2.83Å
478R93.6Very high91.2Very high109 Ų10999.7 Ų99.741%0.41143%0.431SS..Hα-helixtrans-58.9-28173.3-66.1161.1-173.6142.81.5113.4R474 D475 R482R474-R478 WeakPolarHBondContact O-CD 3.26Å; R474-R478 WeakPolarHBondContact O-CG 3.41Å; R474-R478 PolarHBondContact O-N 3.04Å; R474-R478 VanDerWaalsContact O-N 3.09Å; D475-R478 PolarHBondContact O-N 3.3Å; D475-R478 IonicContact OD1-CZ 3.9Å; D475-R478 IonicContact OD1-NH1 3.82Å; D475-R478 PolarHBondContact OD1-NH1 3.5Å; R478-R482 VanDerWaalsContact O-CG 3.3Å; R478-R482 WeakPolarHBondContact O-CG 3.49Å; R478-R482 PolarHBondContact O-N 2.64Å; R478-R482 PolarHBondContact O-NH1 2.9Å
479E92.1Very high91.3Very high112 Ų11299.8 Ų99.852%0.52343%0.434SS..Hα-helixtrans-72-50174.6-169.3160.3-127.100110.7D475 R476 D477 D481 R482 D483D475-E479 WeakPolarHBondContact O-CB 3.49Å; D475-E479 PolarHBondContact O-N 3.13Å; R476-E479 PolarHBondContact O-N 2.97Å; D477-E479 PolarHBondContact O-N 2.68Å; E479-D481 PolarHBondContact O-N 3.05Å; E479-R482 PolarHBondContact O-N 2.96Å; E479-R482 VanDerWaalsContact O-N 3.16Å; E479-D483 PolarHBondContact O-N 3.2Å
480R93.4Very high91.5Very high122 Ų122102.9 Ų102.946%0.4644%0.44SS..Hα-helixtrans-58.1-34.1172.2-80179-94.6114.84.2113.2R476 D477 D483 R484R476-R480 PolarHBondContact O-N 2.67Å; R476-R480 PolarHBondContact O-NE 2.84Å; D477-R480 PolarHBondContact O-N 2.75Å; D477-R480 VanDerWaalsContact O-N 3.13Å; D477-R480 IonicContact OD1-CZ 2.64Å; D477-R480 IonicContact OD1-NH1 2.9Å; D477-R480 PolarHBondContact OD1-NH1 3.17Å; D477-R480 IonicContact OD1-NH2 2.71Å; D477-R480 PolarHBondContact OD1-NH2 3.16Å; R480-D483 PolarHBondContact O-N 2.74Å; R480-R484 PolarHBondContact O-N 2.62Å
481D90.3Very high91.3Very high65 Ų65100.1 Ų100.135%0.34844%0.436SS..Hα-helixtrans-65.9-48.7174.7-64.7-28000111.8D477 E479 D483 R484 D485D477-D481 VanDerWaalsContact O-CG 3.24Å; D477-D481 PolarHBondContact O-N 2.83Å; E479-D481 PolarHBondContact O-N 3.05Å; D481-D483 VanDerWaalsContact C-N 3.28Å; D481-D483 PolarHBondContact O-N 3.45Å; D481-R484 PolarHBondContact O-N 2.9Å; D481-R484 IonicContact OD1-CZ 2.85Å; D481-R484 VanDerWaalsContact OD1-CZ 3.27Å; D481-R484 IonicContact OD1-NH1 2.66Å; D481-R484 PolarHBondContact OD1-NH1 2.75Å; D481-R484 IonicContact OD1-NH2 3.35Å; D481-R484 PolarHBondContact OD1-NH2 3.1Å; D481-D485 PolarHBondContact O-N 2.84Å
482R92.5Very high91.2Very high128 Ų128103.3 Ų103.348%0.48344%0.444SS..Hα-helixtrans-62.6-32.4175-68.5177.2-158.9104.9-12.4113R478 E479 D485 R486R478-R482 VanDerWaalsContact O-CG 3.3Å; R478-R482 WeakPolarHBondContact O-CG 3.49Å; R478-R482 PolarHBondContact O-N 2.64Å; R478-R482 PolarHBondContact O-NH1 2.9Å; E479-R482 PolarHBondContact O-N 2.96Å; E479-R482 VanDerWaalsContact O-N 3.16Å; R482-D485 PolarHBondContact O-N 3.15Å; R482-R486 VanDerWaalsContact O-CG 3.26Å; R482-R486 WeakPolarHBondContact O-CG 3.46Å; R482-R486 PolarHBondContact O-N 3.3Å
483D90.5Very high90.9Very high79 Ų79103.6 Ų103.642%0.42245%0.45SS..Hα-helixtrans-71-39.4175.3-76.1-32.1000112.3E479 R480 D481 D485 R486 E487E479-D483 PolarHBondContact O-N 3.2Å; R480-D483 PolarHBondContact O-N 2.74Å; D481-D483 VanDerWaalsContact C-N 3.28Å; D481-D483 PolarHBondContact O-N 3.45Å; D483-D485 VanDerWaalsContact C-N 3.28Å; D483-D485 PolarHBondContact O-N 2.8Å; D483-R486 PolarHBondContact O-N 2.78Å; D483-R486 IonicContact OD1-CZ 3.95Å; D483-R486 IonicContact OD1-NH1 3.17Å; D483-R486 PolarHBondContact OD1-NH1 3.15Å; D483-E487 WeakPolarHBondContact O-CB 3.49Å; D483-E487 PolarHBondContact O-N 2.78Å
484R92.3Very high90.6Very high102 Ų102105.3 Ų105.339%0.38545%0.452SS..Hα-helixtrans-63-34.1169.3-73.6-169.3-109.186.1-1.8112.1R480 D481 E487 R488R480-R484 PolarHBondContact O-N 2.62Å; D481-R484 PolarHBondContact O-N 2.9Å; D481-R484 IonicContact OD1-CZ 2.85Å; D481-R484 VanDerWaalsContact OD1-CZ 3.27Å; D481-R484 IonicContact OD1-NH1 2.66Å; D481-R484 PolarHBondContact OD1-NH1 2.75Å; D481-R484 IonicContact OD1-NH2 3.35Å; D481-R484 PolarHBondContact OD1-NH2 3.1Å; R484-E487 PolarHBondContact O-N 3.34Å; R484-R488 WeakPolarHBondContact O-CD 3.49Å; R484-R488 WeakPolarHBondContact O-CG 3.47Å; R484-R488 PolarHBondContact O-N 2.85Å
485D90.4Very high89.9Confident84 Ų84105.3 Ų105.345%0.44946%0.456SS..Hα-helixtrans-70.7-40.1174.8-70.3-29.8000113D481 R482 D483 E487 R488 E489D481-D485 PolarHBondContact O-N 2.84Å; R482-D485 PolarHBondContact O-N 3.15Å; D483-D485 VanDerWaalsContact C-N 3.28Å; D483-D485 PolarHBondContact O-N 2.8Å; D485-E487 VanDerWaalsContact C-N 3.27Å; D485-E487 PolarHBondContact O-N 2.92Å; D485-R488 CarbonylContact O-C 3.56Å; D485-R488 PolarHBondContact O-N 3.26Å; D485-R488 IonicContact OD1-CZ 3.06Å; D485-R488 IonicContact OD1-NH1 3.27Å; D485-R488 PolarHBondContact OD1-NH1 2.91Å; D485-E489 WeakPolarHBondContact O-CB 3.44Å; D485-E489 PolarHBondContact O-N 3.06Å
486R92.9Very high89.6Confident111 Ų111108.2 Ų108.242%0.41946%0.461SS..Hα-helixtrans-62.3-34.3170.1-70.2162.2-174.4143.12.4112.3R482 D483 E489 R490R482-R486 VanDerWaalsContact O-CG 3.26Å; R482-R486 WeakPolarHBondContact O-CG 3.46Å; R482-R486 PolarHBondContact O-N 3.3Å; D483-R486 PolarHBondContact O-N 2.78Å; D483-R486 IonicContact OD1-CZ 3.95Å; D483-R486 IonicContact OD1-NH1 3.17Å; D483-R486 PolarHBondContact OD1-NH1 3.15Å; R486-E489 WeakPolarHBondContact O-CB 3.4Å; R486-E489 PolarHBondContact O-N 3.42Å; R486-R490 VanDerWaalsContact O-CG 3.27Å; R486-R490 WeakPolarHBondContact O-CG 3.49Å; R486-R490 PolarHBondContact O-N 2.8Å
487E89.6Confident88.6Confident120 Ų120108.4 Ų108.456%0.56147%0.467SS*.Hα-helixtrans-67.9-46.6174.8-175.4162.8-122.200111.4D483 R484 D485 E489 R490 T491D483-E487 WeakPolarHBondContact O-CB 3.49Å; D483-E487 PolarHBondContact O-N 2.78Å; R484-E487 PolarHBondContact O-N 3.34Å; D485-E487 VanDerWaalsContact C-N 3.27Å; D485-E487 PolarHBondContact O-N 2.92Å; E487-E489 PolarHBondContact O-N 3.38Å; E487-R490 CarbonylContact O-C 3.55Å; E487-R490 PolarHBondContact O-N 2.9Å; E487-R490 VanDerWaalsContact O-N 3.15Å; E487-T491 PolarHBondContact O-N 3.49Å
488R92.4Very high87.8Confident109 Ų109115.2 Ų115.241%0.41149%0.488SS..Hα-helixtrans-63.7-24.8171.7-65159.7-178.3151.8-2.9113.2R484 D485 T491 R492R484-R488 WeakPolarHBondContact O-CD 3.49Å; R484-R488 WeakPolarHBondContact O-CG 3.47Å; R484-R488 PolarHBondContact O-N 2.85Å; D485-R488 CarbonylContact O-C 3.56Å; D485-R488 PolarHBondContact O-N 3.26Å; D485-R488 IonicContact OD1-CZ 3.06Å; D485-R488 IonicContact OD1-NH1 3.27Å; D485-R488 PolarHBondContact OD1-NH1 2.91Å; R488-T491 WeakPolarHBondContact CA-OG1 3.33Å; R488-T491 PolarHBondContact O-OG1 2.96Å; R488-T491 VanDerWaalsContact O-OG1 3.14Å; R488-R492 VanDerWaalsContact C-NH1 3.35Å; R488-R492 VanDerWaalsContact O-CG 3.25Å; R488-R492 WeakPolarHBondContact O-CG 3.2Å; R488-R492 PolarHBondContact O-N 3.38Å; R488-R492 PolarHBondContact O-NH1 2.98Å
489E90.5Very high86.5Confident128 Ų128116 Ų11660%0.59850%0.501SS*.Hα-helixtrans-71.5-48.7171.5-171.9170.3-139.900109.7D485 R486 E487 T491 R492 E493D485-E489 WeakPolarHBondContact O-CB 3.44Å; D485-E489 PolarHBondContact O-N 3.06Å; R486-E489 WeakPolarHBondContact O-CB 3.4Å; R486-E489 PolarHBondContact O-N 3.42Å; E487-E489 PolarHBondContact O-N 3.38Å; E489-T491 PolarHBondContact O-N 2.86Å; E489-R492 CarbonylContact O-C 3.55Å; E489-R492 PolarHBondContact O-N 3.05Å; E489-E493 WeakPolarHBondContact O-CB 3.5Å; E489-E493 PolarHBondContact O-N 2.87Å
490R90.1Very high85Confident138 Ų138117.7 Ų117.752%0.52151%0.509SS..Hα-helixtrans-64.9-27.8175.3-67.9166.8-177.1166.91.5114.4R486 E487 R494R486-R490 VanDerWaalsContact O-CG 3.27Å; R486-R490 WeakPolarHBondContact O-CG 3.49Å; R486-R490 PolarHBondContact O-N 2.8Å; E487-R490 CarbonylContact O-C 3.55Å; E487-R490 PolarHBondContact O-N 2.9Å; E487-R490 VanDerWaalsContact O-N 3.15Å; R490-R494 VanDerWaalsContact C-NH1 3.34Å; R490-R494 WeakPolarHBondContact O-CG 3.4Å; R490-R494 PolarHBondContact O-N 3.06Å; R490-R494 PolarHBondContact O-NH1 2.95Å
491T86.8Confident82.7Confident58 Ų58115.3 Ų115.336%0.35651%0.511SS..Hα-helixtrans-70.2-48.817257.70000109.9E487 R488 E489 E493 R494 E495E487-T491 PolarHBondContact O-N 3.49Å; R488-T491 WeakPolarHBondContact CA-OG1 3.33Å; R488-T491 PolarHBondContact O-OG1 2.96Å; R488-T491 VanDerWaalsContact O-OG1 3.14Å; E489-T491 PolarHBondContact O-N 2.86Å; T491-E493 PolarHBondContact O-N 3.04Å; T491-R494 PolarHBondContact O-N 3.16Å; T491-R494 VanDerWaalsContact O-N 3.1Å; T491-E495 WeakPolarHBondContact O-CG 3.13Å; T491-E495 PolarHBondContact O-N 3.33Å
492R88.3Confident81Confident123 Ų123117.1 Ų117.146%0.46453%0.526SS..Hα-helixtrans-64.5-25.3175-63.4178.5-162.2112.8-16.7113.5R488 E489 E495 R496R488-R492 VanDerWaalsContact C-NH1 3.35Å; R488-R492 VanDerWaalsContact O-CG 3.25Å; R488-R492 WeakPolarHBondContact O-CG 3.2Å; R488-R492 PolarHBondContact O-N 3.38Å; R488-R492 PolarHBondContact O-NH1 2.98Å; E489-R492 CarbonylContact O-C 3.55Å; E489-R492 PolarHBondContact O-N 3.05Å; R492-E495 WeakPolarHBondContact CA-OE2 3.2Å; R492-R496 VanDerWaalsContact C-NH1 3.3Å; R492-R496 WeakPolarHBondContact O-CB 3.01Å; R492-R496 VanDerWaalsContact O-CG 3.27Å; R492-R496 WeakPolarHBondContact O-CG 3.49Å; R492-R496 PolarHBondContact O-N 3.41Å; R492-R496 VanDerWaalsContact O-N 3.1Å; R492-R496 PolarHBondContact O-NH1 3.47Å
493E85.2Confident78.8Confident111 Ų111115 Ų11552%0.51953%0.528SS..Hα-helixtrans-67.2-51.2170.4-171171.8-138.800110E489 T491 E495 R496 E497E489-E493 WeakPolarHBondContact O-CB 3.5Å; E489-E493 PolarHBondContact O-N 2.87Å; T491-E493 PolarHBondContact O-N 3.04Å; E493-E495 VanDerWaalsContact C-N 3.35Å; E493-E495 PolarHBondContact O-N 3.18Å; E493-R496 CarbonylContact O-C 3.58Å; E493-R496 PolarHBondContact O-N 2.82Å; E493-E497 WeakPolarHBondContact O-CG 3.37Å; E493-E497 PolarHBondContact O-N 3.12Å
494R83.4Confident77Confident145 Ų145117.2 Ų117.255%0.54755%0.546SS..Hα-helixtrans-66.2-31.2176.3-67.7-177.7-159.698-19.5114.1R490 T491 E497 R498R490-R494 VanDerWaalsContact C-NH1 3.34Å; R490-R494 WeakPolarHBondContact O-CG 3.4Å; R490-R494 PolarHBondContact O-N 3.06Å; R490-R494 PolarHBondContact O-NH1 2.95Å; T491-R494 PolarHBondContact O-N 3.16Å; T491-R494 VanDerWaalsContact O-N 3.1Å; R494-E497 PolarHBondContact O-N 2.94Å; R494-R498 WeakPolarHBondContact O-CB 3.31Å; R494-R498 PolarHBondContact O-N 2.59Å
495E78.9Confident75Confident103 Ų103116.4 Ų116.448%0.48156%0.556SS.*Hα-helixtrans-64.4-49171.2-72.7162.5171.500109.6T491 R492 E493 E497 R498 D499T491-E495 WeakPolarHBondContact O-CG 3.13Å; T491-E495 PolarHBondContact O-N 3.33Å; R492-E495 WeakPolarHBondContact CA-OE2 3.2Å; E493-E495 VanDerWaalsContact C-N 3.35Å; E493-E495 PolarHBondContact O-N 3.18Å; E495-E497 PolarHBondContact O-N 3.42Å; E495-R498 WeakPolarHBondContact O-CB 3.45Å; E495-R498 PolarHBondContact O-N 3.21Å; E495-R498 VanDerWaalsContact O-N 3.08Å; E495-D499 VanDerWaalsContact O-CG 3.24Å; E495-D499 PolarHBondContact O-N 3.4Å
496R83.6Confident73.1Confident143 Ų143116.4 Ų116.454%0.5456%0.559SS.*Hα-helixtrans-61.4-40.6172.7-70.3179.8-160.6100.6-13.5112.8R492 E493 R498 D499 H500R492-R496 VanDerWaalsContact C-NH1 3.3Å; R492-R496 WeakPolarHBondContact O-CB 3.01Å; R492-R496 VanDerWaalsContact O-CG 3.27Å; R492-R496 WeakPolarHBondContact O-CG 3.49Å; R492-R496 PolarHBondContact O-N 3.41Å; R492-R496 VanDerWaalsContact O-N 3.1Å; R492-R496 PolarHBondContact O-NH1 3.47Å; E493-R496 CarbonylContact O-C 3.58Å; E493-R496 PolarHBondContact O-N 2.82Å; R496-R498 VanDerWaalsContact C-N 3.26Å; R496-R498 PolarHBondContact O-N 2.88Å; R496-D499 PolarHBondContact O-N 3.31Å; R496-H500 WeakPolarHBondContact O-CA 3.47Å; R496-H500 WeakPolarHBondContact O-CB 3.33Å; R496-H500 PolarHBondContact O-N 3.15Å; R496-H500 PolarHBondContact O-ND1 3.32Å
497E73.3Confident70.9Confident130 Ų130116.3 Ų116.361%0.60756%0.562SS**Hα-helixtrans-62.5-31.5174.1-73.6-173.2138.300112.6E493 R494 E495 S501E493-E497 WeakPolarHBondContact O-CG 3.37Å; E493-E497 PolarHBondContact O-N 3.12Å; R494-E497 PolarHBondContact O-N 2.94Å; E495-E497 PolarHBondContact O-N 3.42Å; E497-S501 WeakPolarHBondContact O-CA 3.44Å; E497-S501 VanDerWaalsContact O-CB 3.25Å; E497-S501 WeakPolarHBondContact O-CB 3.24Å; E497-S501 PolarHBondContact O-N 3.14Å; E497-S501 VanDerWaalsContact O-N 3.1Å
498R74.2Confident69Low199 Ų199117.2 Ų117.275%0.75157%0.57SS**Hα-helixtrans-73.4-46.8174.6176.1176.9-73.4169.5-4.6111.3R494 E495 R496 S501R494-R498 WeakPolarHBondContact O-CB 3.31Å; R494-R498 PolarHBondContact O-N 2.59Å; E495-R498 WeakPolarHBondContact O-CB 3.45Å; E495-R498 PolarHBondContact O-N 3.21Å; E495-R498 VanDerWaalsContact O-N 3.08Å; R496-R498 VanDerWaalsContact C-N 3.26Å; R496-R498 PolarHBondContact O-N 2.88Å; R498-S501 VanDerWaalsContact O-CB 3.27Å; R498-S501 WeakPolarHBondContact O-CB 3.45Å; R498-S501 PolarHBondContact O-N 3.4Å
499D66.3Low67.3Low127 Ų127115.5 Ų115.568%0.67958%0.575SS**Hα-helixtrans-74.8-27.9-176.9-60.6-20.6000112.7E495 R496E495-D499 VanDerWaalsContact O-CG 3.24Å; E495-D499 PolarHBondContact O-N 3.4Å; R496-D499 PolarHBondContact O-N 3.31Å
500H60.8Low65.7Low147 Ų147115 Ų11568%0.68158%0.577SS**THydrogen-bonded Turntrans-99.510.1174.2-59.356.9000112R496 P502R496-H500 WeakPolarHBondContact O-CA 3.47Å; R496-H500 WeakPolarHBondContact O-CB 3.33Å; R496-H500 PolarHBondContact O-N 3.15Å; R496-H500 PolarHBondContact O-ND1 3.32Å; H500-P502 VanDerWaalsContact O-CD 3.25Å; H500-P502 WeakPolarHBondContact O-CD 3.31Å
501S44.3Very low64Low72 Ų72113.8 Ų113.850%0.50358%0.577SS.*  trans-67.8113.8173.3-159.40000108.5E497 R498 T503E497-S501 WeakPolarHBondContact O-CA 3.44Å; E497-S501 VanDerWaalsContact O-CB 3.25Å; E497-S501 WeakPolarHBondContact O-CB 3.24Å; E497-S501 PolarHBondContact O-N 3.14Å; E497-S501 VanDerWaalsContact O-N 3.1Å; R498-S501 VanDerWaalsContact O-CB 3.27Å; R498-S501 WeakPolarHBondContact O-CB 3.45Å; R498-S501 PolarHBondContact O-N 3.4Å; S501-T503 PolarHBondContact O-N 3.42Å; S501-T503 VanDerWaalsContact O-N 3.08Å
502P54.1Low62.4Low102 Ų102116 Ų11666%0.66258%0.583SS**  trans-63.8118.6178.926.7-32.9000108.2H500H500-P502 VanDerWaalsContact O-CD 3.25Å; H500-P502 WeakPolarHBondContact O-CD 3.31Å
503T46.6Very low61Low85 Ų85116.4 Ų116.452%0.52158%0.584SS.*  trans-56.6134.2-17548.60000109.9S501 S505 V506S501-T503 PolarHBondContact O-N 3.42Å; S501-T503 VanDerWaalsContact O-N 3.08Å; T503-S505 PolarHBondContact O-N 2.92Å; T503-V506 PolarHBondContact O-N 2.79Å
504P52.1Low59.6Low124 Ų124118.4 Ų118.481%0.80559%0.588SS**THydrogen-bonded Turntrans-65.1-8.9-167.523.4-33.9000114.2
505S50.7Low58.4Low85 Ų85118.7 Ų118.759%0.59459%0.59SS**THydrogen-bonded Turntrans-72.2-23.6173.147.30000114.7T503 F507 N508T503-S505 PolarHBondContact O-N 2.92Å; S505-F507 PolarHBondContact O-N 3.1Å; S505-N508 PolarHBondContact O-ND2 3.26Å
506V50.6Low57.2Low84 Ų84122.6 Ų122.651%0.50960%0.601SS.*SBendtrans-69.7-24-179-1740000111.5T503 N508T503-V506 PolarHBondContact O-N 2.79Å; V506-N508 PolarHBondContact O-N 2.99Å
507F48.1Very low56.2Low110 Ų110121.4 Ų121.448%0.48260%0.597SS.*  trans-8053.6-169.4-126.8-82.2000114.7S505 R513S505-F507 PolarHBondContact O-N 3.1Å; F507-R513 HydrophobicContact CE1-CB 3.71Å; F507-R513 HydrophobicContact CE1-CG 3.61Å; F507-R513 HydrophobicContact CZ-CB 4.03Å; F507-R513 HydrophobicContact CZ-CG 3.87Å
508N49.8Very low55.3Low138 Ų138119.6 Ų119.674%0.73859%0.588SS**  trans-109.822-177.5-87.3-71000114.4S505 V506S505-N508 PolarHBondContact O-ND2 3.26Å; V506-N508 PolarHBondContact O-N 2.99Å
509S56.2Low54.4Low74 Ų74118.7 Ų118.752%0.51759%0.586SS.*  trans-150.9126.7167.9-82.50000112.7E511 E512S509-E511 PolarHBondContact O-N 3.41Å; S509-E512 PolarHBondContact O-N 2.94Å
510D56.6Low54.1Low118 Ų118114.3 Ų114.363%0.63157%0.568SS**Hα-helixtrans-61.8-24178.1-78.1-57.7000113.3E512 R513 Y514D510-E512 PolarHBondContact O-N 3.4Å; D510-R513 WeakPolarHBondContact O-CB 3.44Å; D510-R513 PolarHBondContact O-N 2.99Å; D510-R513 VanDerWaalsContact O-N 3.13Å; D510-Y514 PolarHBondContact O-N 2.94Å; D510-Y514 VanDerWaalsContact O-N 3.12Å
511E53.8Low54Low112 Ų112113.4 Ų113.452%0.52356%0.564SS.*Hα-helixtrans-57.5-44.6176.3-178.563.5-159.200112.4S509 R513 Y514 R515S509-E511 PolarHBondContact O-N 3.41Å; E511-R513 VanDerWaalsContact C-N 3.31Å; E511-R513 PolarHBondContact O-N 2.86Å; E511-Y514 PolarHBondContact O-N 3.38Å; E511-R515 PolarHBondContact O-N 2.87Å; E511-R515 VanDerWaalsContact O-N 3.15Å; E511-R515 IonicContact OE1-CZ 2.64Å; E511-R515 IonicContact OE1-NE 3.72Å; E511-R515 PolarHBondContact OE1-NE 2.78Å; E511-R515 IonicContact OE1-NH2 2.74Å; E511-R515 PolarHBondContact OE1-NH2 3.01Å
512E53.4Low54.7Low105 Ų105116.3 Ų116.349%0.49156%0.564SS.*Hα-helixtrans-69.7-31.5176.8-65.2-164129.100111.8S509 D510 Y514 R515 Y516S509-E512 PolarHBondContact O-N 2.94Å; D510-E512 PolarHBondContact O-N 3.4Å; E512-Y514 VanDerWaalsContact C-N 3.26Å; E512-Y514 PolarHBondContact O-N 3.23Å; E512-R515 PolarHBondContact O-N 3Å; E512-Y516 WeakPolarHBondContact O-CB 3.36Å; E512-Y516 PolarHBondContact O-N 3.42Å
513R58.6Low55.2Low130 Ų130112.8 Ų112.849%0.49155%0.546SS..Hα-helixtrans-61.6-35.9174.5-159.2171.9-149.6-159.22.4112.4F507 D510 E511 R517F507-R513 HydrophobicContact CE1-CB 3.71Å; F507-R513 HydrophobicContact CE1-CG 3.61Å; F507-R513 HydrophobicContact CZ-CB 4.03Å; F507-R513 HydrophobicContact CZ-CG 3.87Å; D510-R513 WeakPolarHBondContact O-CB 3.44Å; D510-R513 PolarHBondContact O-N 2.99Å; D510-R513 VanDerWaalsContact O-N 3.13Å; E511-R513 VanDerWaalsContact C-N 3.31Å; E511-R513 PolarHBondContact O-N 2.86Å; R513-R517 WeakPolarHBondContact O-CB 3.48Å; R513-R517 PolarHBondContact O-N 3.31Å
514Y55.9Low55.7Low153 Ų153117.3 Ų117.360%0.656%0.555SS**Hα-helixtrans-72.8-46.3174.4-91.3-91000111.9D510 E511 E512 Y516 R517 E518D510-Y514 PolarHBondContact O-N 2.94Å; D510-Y514 VanDerWaalsContact O-N 3.12Å; E511-Y514 PolarHBondContact O-N 3.38Å; E512-Y514 VanDerWaalsContact C-N 3.26Å; E512-Y514 PolarHBondContact O-N 3.23Å; Y514-Y516 PolarHBondContact O-N 2.99Å; Y514-R517 PolarHBondContact O-N 3.26Å; Y514-E518 PolarHBondContact O-N 3.4Å
515R58.1Low56.3Low152 Ų152117.2 Ų117.257%0.57454%0.544SS*.Hα-helixtrans-61.4-43.8178.6-67.3-177.1-168.7-178.94.8112.9E511 E512 R517 E518 Y519E511-R515 PolarHBondContact O-N 2.87Å; E511-R515 VanDerWaalsContact O-N 3.15Å; E511-R515 IonicContact OE1-CZ 2.64Å; E511-R515 IonicContact OE1-NE 3.72Å; E511-R515 PolarHBondContact OE1-NE 2.78Å; E511-R515 IonicContact OE1-NH2 2.74Å; E511-R515 PolarHBondContact OE1-NH2 3.01Å; E512-R515 PolarHBondContact O-N 3Å; R515-R517 VanDerWaalsContact C-N 3.32Å; R515-R517 PolarHBondContact O-N 3.02Å; R515-E518 PolarHBondContact O-N 2.98Å; R515-Y519 PolarHBondContact O-N 2.79Å
516Y55.1Low57Low184 Ų184122 Ų12272%0.72255%0.549SS*.Hα-helixtrans-64.3-37.6178.1-166.6-96.8000111.9E512 Y514 A520E512-Y516 WeakPolarHBondContact O-CB 3.36Å; E512-Y516 PolarHBondContact O-N 3.42Å; Y514-Y516 PolarHBondContact O-N 2.99Å; Y516-A520 WeakPolarHBondContact O-CB 3.25Å; Y516-A520 PolarHBondContact O-N 2.73Å
517R61.3Low57.8Low118 Ų118124.9 Ų124.945%0.44556%0.556SS.*Hα-helixtrans-64.4-46.3174.8-173.8177.9-63.6156.73.3111.9R513 Y514 R515 Y519 A520 E521R513-R517 WeakPolarHBondContact O-CB 3.48Å; R513-R517 PolarHBondContact O-N 3.31Å; Y514-R517 PolarHBondContact O-N 3.26Å; R515-R517 VanDerWaalsContact C-N 3.32Å; R515-R517 PolarHBondContact O-N 3.02Å; R517-Y519 PolarHBondContact O-N 3.47Å; R517-A520 PolarHBondContact O-N 2.71Å; R517-E521 PolarHBondContact O-N 2.84Å
518E54.5Low58.9Low93 Ų93127.6 Ų127.644%0.43556%0.564SS.*Hα-helixtrans-64.4-40.2179-163.1-162.914900112Y514 R515 R522Y514-E518 PolarHBondContact O-N 3.4Å; R515-E518 PolarHBondContact O-N 2.98Å; E518-R522 VanDerWaalsContact O-CB 3.26Å; E518-R522 WeakPolarHBondContact O-CB 3.32Å; E518-R522 PolarHBondContact O-N 3.26Å; E518-R522 IonicContact OE1-CZ 3.51Å; E518-R522 IonicContact OE1-NH1 2.84Å; E518-R522 PolarHBondContact OE1-NH1 2.88Å; E518-R522 IonicContact OE1-NH2 3.94Å; E518-R522 PolarHBondContact OE1-NH2 3.11Å
519Y55.2Low59.9Low179 Ų179123.7 Ų123.770%0.70255%0.55SS**Hα-helixtrans-64.2-42.6174.9-114.8-85.7000112.2R515 R517 R522 G523R515-Y519 PolarHBondContact O-N 2.79Å; R517-Y519 PolarHBondContact O-N 3.47Å; Y519-R522 PolarHBondContact O-N 3.11Å; Y519-G523 PolarHBondContact O-N 2.9Å
520A60.8Low61Low36 Ų36123.7 Ų123.730%0.29855%0.55SS.*Hα-helixtrans-62-49.7175.800000111.8Y516 R517 R522 G523 Y524Y516-A520 WeakPolarHBondContact O-CB 3.25Å; Y516-A520 PolarHBondContact O-N 2.73Å; R517-A520 PolarHBondContact O-N 2.71Å; A520-R522 PolarHBondContact O-N 3.11Å; A520-G523 WeakPolarHBondContact O-CA 3.27Å; A520-G523 PolarHBondContact O-N 2.87Å; A520-G523 VanDerWaalsContact O-N 3.11Å; A520-Y524 HydrophobicContact CB-CD2 4.49Å; A520-Y524 HydrophobicContact CB-CE2 4.27Å; A520-Y524 WeakPolarHBondContact O-CD2 3.44Å; A520-Y524 PolarHBondContact O-N 2.8Å
521E57.8Low62Low128 Ų128127 Ų12760%0.59855%0.554SS**Hα-helixtrans-60.2-43.7177.6-73.9-175.7132.400112.2R517 G523 Y524 E525R517-E521 PolarHBondContact O-N 2.84Å; E521-G523 VanDerWaalsContact C-N 3.25Å; E521-G523 PolarHBondContact O-N 3.36Å; E521-Y524 PolarHBondContact O-N 3.43Å; E521-E525 PolarHBondContact O-N 3.1Å
522R60.2Low63.2Low132 Ų132125.5 Ų125.550%0.49855%0.547SS..Hα-helixtrans-64.1-29.4175.7-174171.6-73.4123.62.6112.7E518 Y519 A520 R526E518-R522 VanDerWaalsContact O-CB 3.26Å; E518-R522 WeakPolarHBondContact O-CB 3.32Å; E518-R522 PolarHBondContact O-N 3.26Å; E518-R522 IonicContact OE1-CZ 3.51Å; E518-R522 IonicContact OE1-NH1 2.84Å; E518-R522 PolarHBondContact OE1-NH1 2.88Å; E518-R522 IonicContact OE1-NH2 3.94Å; E518-R522 PolarHBondContact OE1-NH2 3.11Å; Y519-R522 PolarHBondContact O-N 3.11Å; A520-R522 PolarHBondContact O-N 3.11Å; R522-R526 WeakPolarHBondContact O-CB 3.35Å; R522-R526 PolarHBondContact O-N 3.28Å
523G64.4Low64.6Low29 Ų29128.3 Ų128.330%0.29956%0.557SS.*Hα-helixtrans-70-50.1169.700000112.8Y519 A520 E521 E525 R526 H527Y519-G523 PolarHBondContact O-N 2.9Å; A520-G523 WeakPolarHBondContact O-CA 3.27Å; A520-G523 PolarHBondContact O-N 2.87Å; A520-G523 VanDerWaalsContact O-N 3.11Å; E521-G523 VanDerWaalsContact C-N 3.25Å; E521-G523 PolarHBondContact O-N 3.36Å; G523-E525 PolarHBondContact O-N 3.2Å; G523-R526 PolarHBondContact O-N 3.08Å; G523-H527 PolarHBondContact O-CD2 3.5Å; G523-H527 PolarHBondContact O-N 3.42Å
524Y57.1Low65.8Low180 Ų180126.4 Ų126.471%0.70655%0.554SS**Hα-helixtrans-61-42.2-179.8-76-62.2000112.8A520 E521 R526 H527 R528A520-Y524 HydrophobicContact CB-CD2 4.49Å; A520-Y524 HydrophobicContact CB-CE2 4.27Å; A520-Y524 WeakPolarHBondContact O-CD2 3.44Å; A520-Y524 PolarHBondContact O-N 2.8Å; E521-Y524 PolarHBondContact O-N 3.43Å; Y524-R526 VanDerWaalsContact C-N 3.35Å; Y524-R526 PolarHBondContact O-N 2.93Å; Y524-H527 PolarHBondContact O-N 2.79Å; Y524-R528 WeakPolarHBondContact O-CB 3.49Å; Y524-R528 PolarHBondContact O-N 3.18Å
525E63.8Low67Low122 Ų122125 Ų12557%0.5755%0.553SS**Hα-helixtrans-65.9-38.4177.7-162.158.9-120.200111.6E521 G523 R528 A529E521-E525 PolarHBondContact O-N 3.1Å; G523-E525 PolarHBondContact O-N 3.2Å; E525-R528 WeakPolarHBondContact O-CB 3.4Å; E525-R528 PolarHBondContact O-N 3.44Å; E525-R528 WeakPolarHBondContact OE1-CD 3.27Å; E525-A529 WeakPolarHBondContact O-CB 3.27Å; E525-A529 PolarHBondContact O-N 2.97Å
526R64.9Low68.4Low185 Ų185125.1 Ų125.170%0.69855%0.553SS**Hα-helixtrans-64.4-42.2174-172.2179.8-66.4-135.61.4111.8R522 G523 Y524 S530R522-R526 WeakPolarHBondContact O-CB 3.35Å; R522-R526 PolarHBondContact O-N 3.28Å; G523-R526 PolarHBondContact O-N 3.08Å; Y524-R526 VanDerWaalsContact C-N 3.35Å; Y524-R526 PolarHBondContact O-N 2.93Å; R526-S530 VanDerWaalsContact O-CB 3.27Å; R526-S530 WeakPolarHBondContact O-CB 3.27Å; R526-S530 PolarHBondContact O-N 2.93Å
527H68.9Low69.8Low144 Ų144120.8 Ų120.867%0.66754%0.54SS*.Hα-helixtrans-66.1-38.6174.9-89.6-101.7000112.5G523 Y524 S530 R531G523-H527 PolarHBondContact O-CD2 3.5Å; G523-H527 PolarHBondContact O-N 3.42Å; Y524-H527 PolarHBondContact O-N 2.79Å; H527-S530 PolarHBondContact O-N 3.44Å; H527-R531 WeakPolarHBondContact O-CB 3.27Å; H527-R531 PolarHBondContact O-N 3.23Å
528R71.3Confident71Confident168 Ų168121.2 Ų121.263%0.63454%0.541SS*.Hα-helixtrans-59.2-54.7174.3-172.7-171.4-176946.4111.1Y524 E525 S530 R531 E532Y524-R528 WeakPolarHBondContact O-CB 3.49Å; Y524-R528 PolarHBondContact O-N 3.18Å; E525-R528 WeakPolarHBondContact O-CB 3.4Å; E525-R528 PolarHBondContact O-N 3.44Å; E525-R528 WeakPolarHBondContact OE1-CD 3.27Å; R528-S530 VanDerWaalsContact C-N 3.31Å; R528-S530 PolarHBondContact O-N 3.3Å; R528-R531 PolarHBondContact O-N 2.86Å; R528-E532 PolarHBondContact O-N 2.92Å
529A70.3Confident72.5Confident55 Ų55123 Ų12346%0.45555%0.55SS..Hα-helixtrans-62.5-36.9179.200000112.6E525 K533E525-A529 WeakPolarHBondContact O-CB 3.27Å; E525-A529 PolarHBondContact O-N 2.97Å; A529-K533 VanDerWaalsContact O-CB 3.27Å; A529-K533 WeakPolarHBondContact O-CB 3.37Å; A529-K533 PolarHBondContact O-N 3.44Å
530S79.2Confident73.9Confident75 Ų75123 Ų12352%0.52455%0.548SS..Hα-helixtrans-63.8-49.6175-170.60000111.9R526 H527 R528 E532 K533 E534R526-S530 VanDerWaalsContact O-CB 3.27Å; R526-S530 WeakPolarHBondContact O-CB 3.27Å; R526-S530 PolarHBondContact O-N 2.93Å; H527-S530 PolarHBondContact O-N 3.44Å; R528-S530 VanDerWaalsContact C-N 3.31Å; R528-S530 PolarHBondContact O-N 3.3Å; S530-E532 PolarHBondContact O-N 3.44Å; S530-K533 PolarHBondContact O-N 3.34Å; S530-E534 WeakPolarHBondContact O-CB 3.37Å; S530-E534 PolarHBondContact O-N 2.65Å
531R77.8Confident74.9Confident187 Ų187127 Ų12771%0.70656%0.556SS**Hα-helixtrans-60.5-42.6178-177.3176.2175.6170.80.5112.1H527 R528 E534 E535H527-R531 WeakPolarHBondContact O-CB 3.27Å; H527-R531 PolarHBondContact O-N 3.23Å; R528-R531 PolarHBondContact O-N 2.86Å; R531-E534 PolarHBondContact O-N 3.49Å; R531-E535 WeakPolarHBondContact O-CB 3.48Å; R531-E535 PolarHBondContact O-N 3.49Å
532E77.4Confident76.1Confident80 Ų80125.7 Ų125.737%0.37455%0.55SS..Hα-helixtrans-66-39.9177.4-161.8-163.9125.600112R528 S530 E534 E535 R536R528-E532 PolarHBondContact O-N 2.92Å; S530-E532 PolarHBondContact O-N 3.44Å; E532-E534 VanDerWaalsContact C-N 3.33Å; E532-E534 PolarHBondContact O-N 3.2Å; E532-E535 PolarHBondContact O-N 3.38Å; E532-R536 WeakPolarHBondContact O-CB 3.31Å; E532-R536 VanDerWaalsContact O-CG 3.27Å; E532-R536 WeakPolarHBondContact O-CG 3.47Å; E532-R536 PolarHBondContact O-N 3.08Å; E532-R536 IonicContact OE1-CZ 3.78Å; E532-R536 IonicContact OE1-NE 3.73Å; E532-R536 PolarHBondContact OE1-NE 3.31Å; E532-R536 IonicContact OE1-NH2 2.75Å; E532-R536 PolarHBondContact OE1-NH2 3.49Å
533K83.4Confident77.1Confident164 Ų164127.1 Ų127.171%0.71356%0.555SS**Hα-helixtrans-64.1-38.4174.1-172.6178.8-179-177.20111.7A529 S530 H537A529-K533 VanDerWaalsContact O-CB 3.27Å; A529-K533 WeakPolarHBondContact O-CB 3.37Å; A529-K533 PolarHBondContact O-N 3.44Å; S530-K533 PolarHBondContact O-N 3.34Å; K533-H537 WeakPolarHBondContact O-CB 3.18Å; K533-H537 PolarHBondContact O-N 2.97Å; K533-H537 VanDerWaalsContact O-N 3.13Å
534E84.9Confident77.4Confident90 Ų90131.7 Ų131.742%0.42157%0.569SS.*Hα-helixtrans-70.2-39175.8-154.8-155.9179.600112.2S530 R531 E532 H537 R538S530-E534 WeakPolarHBondContact O-CB 3.37Å; S530-E534 PolarHBondContact O-N 2.65Å; R531-E534 PolarHBondContact O-N 3.49Å; E532-E534 VanDerWaalsContact C-N 3.33Å; E532-E534 PolarHBondContact O-N 3.2Å; E534-H537 CarbonylContact O-C 3.56Å; E534-H537 WeakPolarHBondContact O-CA 3.35Å; E534-H537 WeakPolarHBondContact O-CB 3.47Å; E534-H537 PolarHBondContact O-N 2.95Å; E534-H537 VanDerWaalsContact O-N 3.16Å; E534-R538 VanDerWaalsContact CD-CZ 3.42Å; E534-R538 PolarHBondContact O-N 2.88Å; E534-R538 IonicContact OE1-CZ 3.01Å; E534-R538 IonicContact OE1-NH1 2.79Å; E534-R538 IonicContact OE1-NH2 3.19Å; E534-R538 PolarHBondContact OE1-NH2 3.41Å; E534-R538 IonicContact OE2-CZ 2.87Å; E534-R538 VanDerWaalsContact OE2-CZ 3.24Å; E534-R538 IonicContact OE2-NH1 3.32Å; E534-R538 PolarHBondContact OE2-NH1 3.36Å; E534-R538 IonicContact OE2-NH2 2.78Å; E534-R538 PolarHBondContact OE2-NH2 3.31Å
535E81.5Confident78.4Confident123 Ų123128.9 Ų128.958%0.57556%0.56SS**Hα-helixtrans-63-49.5174.6-177.2162.3-131.300111.6R531 E532 H537 R538 E539R531-E535 WeakPolarHBondContact O-CB 3.48Å; R531-E535 PolarHBondContact O-N 3.49Å; E532-E535 PolarHBondContact O-N 3.38Å; E535-H537 PolarHBondContact O-N 2.98Å; E535-R538 CarbonylContact O-C 3.48Å; E535-R538 WeakPolarHBondContact O-CA 3.37Å; E535-R538 WeakPolarHBondContact O-CB 3.41Å; E535-R538 PolarHBondContact O-N 3.23Å; E535-E539 PolarHBondContact O-N 3.1Å
536R85.5Confident78.6Confident155 Ų155127 Ų12759%0.58555%0.551SS**Hα-helixtrans-56-31.9171-68.7167.5-178-107.114.2112.1E532 R540E532-R536 WeakPolarHBondContact O-CB 3.31Å; E532-R536 VanDerWaalsContact O-CG 3.27Å; E532-R536 WeakPolarHBondContact O-CG 3.47Å; E532-R536 PolarHBondContact O-N 3.08Å; E532-R536 IonicContact OE1-CZ 3.78Å; E532-R536 IonicContact OE1-NE 3.73Å; E532-R536 PolarHBondContact OE1-NE 3.31Å; E532-R536 IonicContact OE1-NH2 2.75Å; E532-R536 PolarHBondContact OE1-NH2 3.49Å; R536-R540 WeakPolarHBondContact O-CB 3.19Å; R536-R540 PolarHBondContact O-N 2.99Å
537H86.2Confident78.7Confident94 Ų94122 Ų12244%0.43554%0.536SS..Hα-helixtrans-78.7-29.3174.6-172.7-139000113.7K533 E534 E535 R541K533-H537 WeakPolarHBondContact O-CB 3.18Å; K533-H537 PolarHBondContact O-N 2.97Å; K533-H537 VanDerWaalsContact O-N 3.13Å; E534-H537 CarbonylContact O-C 3.56Å; E534-H537 WeakPolarHBondContact O-CA 3.35Å; E534-H537 WeakPolarHBondContact O-CB 3.47Å; E534-H537 PolarHBondContact O-N 2.95Å; E534-H537 VanDerWaalsContact O-N 3.16Å; E535-H537 PolarHBondContact O-N 2.98Å; H537-R541 WeakPolarHBondContact O-CG 3.49Å; H537-R541 PolarHBondContact O-N 3.49Å; H537-R541 PolarHBondContact O-NE 2.71Å
538R86.1Confident78.3Confident126 Ų126118.8 Ų118.848%0.47553%0.527SS..Hα-helixtrans-67.6-46167.1-71.6-174.7-178.786.84.8110.7E534 E535 R541 H542E534-R538 VanDerWaalsContact CD-CZ 3.42Å; E534-R538 PolarHBondContact O-N 2.88Å; E534-R538 IonicContact OE1-CZ 3.01Å; E534-R538 IonicContact OE1-NH1 2.79Å; E534-R538 IonicContact OE1-NH2 3.19Å; E534-R538 PolarHBondContact OE1-NH2 3.41Å; E534-R538 IonicContact OE2-CZ 2.87Å; E534-R538 VanDerWaalsContact OE2-CZ 3.24Å; E534-R538 IonicContact OE2-NH1 3.32Å; E534-R538 PolarHBondContact OE2-NH1 3.36Å; E534-R538 IonicContact OE2-NH2 2.78Å; E534-R538 PolarHBondContact OE2-NH2 3.31Å; E535-R538 CarbonylContact O-C 3.48Å; E535-R538 WeakPolarHBondContact O-CA 3.37Å; E535-R538 WeakPolarHBondContact O-CB 3.41Å; E535-R538 PolarHBondContact O-N 3.23Å; R538-R541 PolarHBondContact O-N 2.95Å; R538-H542 PolarHBondContact O-N 2.98Å
539E84.9Confident77.9Confident132 Ų132117.6 Ų117.662%0.61752%0.522SS*.Hα-helixtrans-59.1-49.1178.8-171.5-168.7-164.700111.6E535 R541 H542 R543E535-E539 PolarHBondContact O-N 3.1Å; E539-R541 VanDerWaalsContact C-N 3.32Å; E539-R541 PolarHBondContact O-N 3.44Å; E539-H542 PolarHBondContact O-N 2.98Å; E539-R543 WeakPolarHBondContact O-CB 3.46Å; E539-R543 PolarHBondContact O-N 3.33Å
540R85.7Confident77.2Confident178 Ų178121.4 Ų121.467%0.67253%0.53SS*.Hα-helixtrans-55.3-46.5176.1-177.3176.5-70148.8-1.5111.9R536 R543 E544R536-R540 WeakPolarHBondContact O-CB 3.19Å; R536-R540 PolarHBondContact O-N 2.99Å; R540-R543 PolarHBondContact O-N 3.11Å; R540-E544 WeakPolarHBondContact O-CB 3.4Å; R540-E544 PolarHBondContact O-N 3.34Å
541R82.4Confident76.1Confident120 Ų120123.7 Ų123.745%0.45353%0.53SS..Hα-helixtrans-65.6-34.9176.5-73.7179.3-70.4164.2-5.2112.5H537 R538 E539 K545H537-R541 WeakPolarHBondContact O-CG 3.49Å; H537-R541 PolarHBondContact O-N 3.49Å; H537-R541 PolarHBondContact O-NE 2.71Å; R538-R541 PolarHBondContact O-N 2.95Å; E539-R541 VanDerWaalsContact C-N 3.32Å; E539-R541 PolarHBondContact O-N 3.44Å; R541-K545 VanDerWaalsContact O-CB 3.24Å; R541-K545 WeakPolarHBondContact O-CB 3.48Å; R541-K545 PolarHBondContact O-N 3.04Å
542H81.9Confident74.8Confident101 Ų101118 Ų11847%0.46852%0.52SS..Hα-helixtrans-68.3-46.5176.5-154.7-87.8000111.5R538 E539 E544 K545 E546R538-H542 PolarHBondContact O-N 2.98Å; E539-H542 PolarHBondContact O-N 2.98Å; H542-E544 VanDerWaalsContact C-N 3.35Å; H542-E544 PolarHBondContact O-N 3.17Å; H542-K545 CarbonylContact O-C 3.58Å; H542-K545 WeakPolarHBondContact O-CB 3.49Å; H542-K545 PolarHBondContact O-N 3.37Å; H542-K545 VanDerWaalsContact O-N 3.13Å; H542-E546 IonicContact CE1-OE1 3.12Å; H542-E546 PolarHBondContact CE1-OE1 3.46Å; H542-E546 IonicContact ND1-OE1 2.72Å; H542-E546 PolarHBondContact ND1-OE1 3.2Å; H542-E546 VanDerWaalsContact ND1-OE1 3.17Å; H542-E546 IonicContact ND1-OE2 2.69Å; H542-E546 PolarHBondContact O-N 2.87Å
543R81.4Confident73.5Confident162 Ų162118.8 Ų118.861%0.61153%0.534SS*.Hα-helixtrans-60.2-41.9176.1-176176.3-179.5139.61112.3E539 R540 E546 E547E539-R543 WeakPolarHBondContact O-CB 3.46Å; E539-R543 PolarHBondContact O-N 3.33Å; R540-R543 PolarHBondContact O-N 3.11Å; R543-E546 PolarHBondContact O-N 3.2Å; R543-E547 IonicContact NE-OE1 2.75Å; R543-E547 WeakPolarHBondContact O-CB 3.25Å; R543-E547 PolarHBondContact O-N 3.34Å
544E70.8Confident72.1Confident125 Ų125121.4 Ų121.458%0.58454%0.539SS*.Hα-helixtrans-65.4-39.2174.4-175.2171.2-156.900112.1R540 H542 E546 E547 T548R540-E544 WeakPolarHBondContact O-CB 3.4Å; R540-E544 PolarHBondContact O-N 3.34Å; H542-E544 VanDerWaalsContact C-N 3.35Å; H542-E544 PolarHBondContact O-N 3.17Å; E544-E546 VanDerWaalsContact C-N 3.3Å; E544-E546 PolarHBondContact O-N 3.45Å; E544-E547 PolarHBondContact O-N 2.89Å; E544-T548 WeakPolarHBondContact O-CB 3.26Å; E544-T548 WeakPolarHBondContact O-CG2 3.42Å; E544-T548 PolarHBondContact O-N 2.98Å; E544-T548 PolarHBondContact O-OG1 2.68Å
545K77.8Confident70.4Confident121 Ų121120.9 Ų120.953%0.52655%0.545SS..Hα-helixtrans-66.7-28.7174.7-166.4170.2-173.2173.10112.9R541 H542 T548 R549R541-K545 VanDerWaalsContact O-CB 3.24Å; R541-K545 WeakPolarHBondContact O-CB 3.48Å; R541-K545 PolarHBondContact O-N 3.04Å; H542-K545 CarbonylContact O-C 3.58Å; H542-K545 WeakPolarHBondContact O-CB 3.49Å; H542-K545 PolarHBondContact O-N 3.37Å; H542-K545 VanDerWaalsContact O-N 3.13Å; K545-T548 WeakPolarHBondContact CA-OG1 3.46Å; K545-T548 PolarHBondContact O-OG1 2.9Å; K545-R549 VanDerWaalsContact O-CD 3.26Å; K545-R549 WeakPolarHBondContact O-CD 3.27Å; K545-R549 WeakPolarHBondContact O-CG 3.4Å; K545-R549 PolarHBondContact O-N 3.28Å
546E68.6Low68.8Low82 Ų82120.5 Ų120.538%0.38355%0.547SS..Hα-helixtrans-79-47.7171.6-73.7175.2167.900111.8H542 R543 E544 T548 R549 H550H542-E546 IonicContact CE1-OE1 3.12Å; H542-E546 PolarHBondContact CE1-OE1 3.46Å; H542-E546 IonicContact ND1-OE1 2.72Å; H542-E546 PolarHBondContact ND1-OE1 3.2Å; H542-E546 VanDerWaalsContact ND1-OE1 3.17Å; H542-E546 IonicContact ND1-OE2 2.69Å; H542-E546 PolarHBondContact O-N 2.87Å; R543-E546 PolarHBondContact O-N 3.2Å; E544-E546 VanDerWaalsContact C-N 3.3Å; E544-E546 PolarHBondContact O-N 3.45Å; E546-T548 VanDerWaalsContact C-N 3.28Å; E546-T548 PolarHBondContact O-N 3.45Å; E546-R549 WeakPolarHBondContact O-CB 3.38Å; E546-R549 PolarHBondContact O-N 3.41Å; E546-R549 VanDerWaalsContact O-N 3.07Å; E546-H550 PolarHBondContact O-CD2 3.15Å; E546-H550 PolarHBondContact O-N 2.99Å
547E66.4Low67Low79 Ų79118.1 Ų118.137%0.36956%0.555SS.*Hα-helixtrans-58.4-39.5176.5-79.7-165.7-146.700112.2R543 E544 H550 K551R543-E547 IonicContact NE-OE1 2.75Å; R543-E547 WeakPolarHBondContact O-CB 3.25Å; R543-E547 PolarHBondContact O-N 3.34Å; E544-E547 PolarHBondContact O-N 2.89Å; E547-H550 PolarHBondContact O-N 3.36Å; E547-K551 VanDerWaalsContact O-CB 3.27Å; E547-K551 WeakPolarHBondContact O-CB 3.44Å; E547-K551 WeakPolarHBondContact O-CD 3.36Å; E547-K551 WeakPolarHBondContact O-CG 3.25Å; E547-K551 PolarHBondContact O-N 3.18Å; E547-K551 WeakPolarHBondContact OE2-CE 3.08Å; E547-K551 IonicContact OE2-NZ 3.42Å; E547-K551 PolarHBondContact OE2-NZ 3.3Å
548T61.3Low65.3Low78 Ų78124.8 Ų124.848%0.47958%0.576SS.*Hα-helixtrans-66.2-37.7174.747.40000112.7E544 K545 E546 K551 S552E544-T548 WeakPolarHBondContact O-CB 3.26Å; E544-T548 WeakPolarHBondContact O-CG2 3.42Å; E544-T548 PolarHBondContact O-N 2.98Å; E544-T548 PolarHBondContact O-OG1 2.68Å; K545-T548 WeakPolarHBondContact CA-OG1 3.46Å; K545-T548 PolarHBondContact O-OG1 2.9Å; E546-T548 VanDerWaalsContact C-N 3.28Å; E546-T548 PolarHBondContact O-N 3.45Å; T548-K551 PolarHBondContact O-N 3.24Å; T548-S552 WeakPolarHBondContact O-CB 3.43Å; T548-S552 PolarHBondContact O-N 3.45Å; T548-S552 PolarHBondContact O-OG 3.36Å
549R62.4Low63.7Low143 Ų143129.4 Ų129.454%0.5459%0.593SS.*Hα-helixtrans-64.7-40.3171.7-75.6167.3167.8176.5-9.1112.6K545 E546 S552 S553K545-R549 VanDerWaalsContact O-CD 3.26Å; K545-R549 WeakPolarHBondContact O-CD 3.27Å; K545-R549 WeakPolarHBondContact O-CG 3.4Å; K545-R549 PolarHBondContact O-N 3.28Å; E546-R549 WeakPolarHBondContact O-CB 3.38Å; E546-R549 PolarHBondContact O-N 3.41Å; E546-R549 VanDerWaalsContact O-N 3.07Å; R549-S552 PolarHBondContact O-OG 3.29Å; R549-S552 VanDerWaalsContact O-OG 3.08Å; R549-S553 WeakPolarHBondContact O-CB 3.21Å; R549-S553 PolarHBondContact O-N 3.12Å; R549-S553 PolarHBondContact O-OG 3.4Å
550H55.3Low62Low135 Ų135132.8 Ų132.863%0.62560%0.6SS**Hα-helixtrans-72.8-32.3177.1-63.8-50.7000112.6E546 E547E546-H550 PolarHBondContact O-CD2 3.15Å; E546-H550 PolarHBondContact O-N 2.99Å; E547-H550 PolarHBondContact O-N 3.36Å
551K56.2Low60.1Low122 Ų122133.5 Ų133.553%0.5361%0.611SS.*Hα-helixtrans-75.1-41.4175.5-71.1163.3-169.81700112.3E547 T548 S553 R554 S555E547-K551 VanDerWaalsContact O-CB 3.27Å; E547-K551 WeakPolarHBondContact O-CB 3.44Å; E547-K551 WeakPolarHBondContact O-CD 3.36Å; E547-K551 WeakPolarHBondContact O-CG 3.25Å; E547-K551 PolarHBondContact O-N 3.18Å; E547-K551 WeakPolarHBondContact OE2-CE 3.08Å; E547-K551 IonicContact OE2-NZ 3.42Å; E547-K551 PolarHBondContact OE2-NZ 3.3Å; T548-K551 PolarHBondContact O-N 3.24Å; K551-S553 PolarHBondContact O-N 2.82Å; K551-R554 PolarHBondContact O-N 3.4Å; K551-S555 PolarHBondContact O-N 3.47Å; K551-S555 PolarHBondContact O-OG 3.13Å
552S51.1Low58.2Low69 Ų69137 Ų13748%0.48363%0.633SS.*Hα-helixtrans-62.6-42.217765.80000112.1T548 R549 R554 S555 N556T548-S552 WeakPolarHBondContact O-CB 3.43Å; T548-S552 PolarHBondContact O-N 3.45Å; T548-S552 PolarHBondContact O-OG 3.36Å; R549-S552 PolarHBondContact O-OG 3.29Å; R549-S552 VanDerWaalsContact O-OG 3.08Å; S552-R554 PolarHBondContact O-N 3.24Å; S552-R554 VanDerWaalsContact O-N 3.16Å; S552-S555 PolarHBondContact O-N 3.2Å; S552-N556 PolarHBondContact O-N 3.4Å
553S50.8Low56.5Low95 Ų95137.8 Ų137.866%0.66465%0.649SS**Hα-helixtrans-57.4-27.4176.2-59.60000113.8R549 K551R549-S553 WeakPolarHBondContact O-CB 3.21Å; R549-S553 PolarHBondContact O-N 3.12Å; R549-S553 PolarHBondContact O-OG 3.4Å; K551-S553 PolarHBondContact O-N 2.82Å
554R52.2Low54.8Low219 Ų219139 Ų13983%0.82666%0.662SS**Hα-helixtrans-97.2-16.7-177.4-137.2176-174.2103.5-2.4114.1K551 S552K551-R554 PolarHBondContact O-N 3.4Å; S552-R554 PolarHBondContact O-N 3.24Å; S552-R554 VanDerWaalsContact O-N 3.16Å
555S50Low53.6Low79 Ų79142.7 Ų142.755%0.55268%0.679SS**Hα-helixtrans-98.2-24.9-177.7-65.40000114.2K551 S552 S557 R558K551-S555 PolarHBondContact O-N 3.47Å; K551-S555 PolarHBondContact O-OG 3.13Å; S552-S555 PolarHBondContact O-N 3.2Å; S555-S557 PolarHBondContact O-N 2.96Å; S555-S557 VanDerWaalsContact O-N 3.17Å; S555-R558 PolarHBondContact O-N 2.84Å
556N48.5Very low52Low115 Ų115140.7 Ų140.762%0.61569%0.693SS**THydrogen-bonded Turntrans-69.2-13.9-175.1-154.217.7000114.3S552S552-N556 PolarHBondContact O-N 3.4Å
557S47.3Very low50.7Low106 Ų106141.9 Ų141.974%0.74170%0.702SS**THydrogen-bonded Turntrans-80.4-17.2178.2-167.70000113.9S555S555-S557 PolarHBondContact O-N 2.96Å; S555-S557 VanDerWaalsContact O-N 3.17Å
558R50.7Low49.9Very low234 Ų234144.1 Ų144.188%0.88373%0.726SS**SBendtrans-100.1-2.7-174.8-81.5-177.5171.1157.7-4.3115.6S555S555-R558 PolarHBondContact O-N 2.84Å
559R51.6Low49.1Very low222 Ų222147.2 Ų147.284%0.83874%0.735SS**SBendtrans-10822.5-178.4-73.5-174.7170.9171.2-3.7114.1
560R49.8Very low48.5Very low203 Ų203150.4 Ų150.477%0.76675%0.747SS**SBendtrans-113.513.9-177.3-76.1-167.8168.9-144.2-4.2114.6
561H45.2Very low48Very low193 Ų193153.9 Ų153.989%0.89476%0.755SS**SBendtrans-147.235-174.6-107.6-67.1000114.3
562E43.5Very low47.3Very low195 Ų195157.2 Ų157.291%0.91177%0.772SS**SBendtrans-156.262171.6-160.1168.5-138.500111.4
563S45.5Very low47.3Very low117 Ų117159.6 Ų159.682%0.81877%0.773SS**  trans-161.647.3172.871.20000113
564E46.8Very low47.1Very low188 Ų188163.1 Ų163.188%0.87978%0.779SS**SBendtrans-127.1129.6166.4-160.7161.1-166.100105.9
565E45.5Very low46.7Very low202 Ų202162.6 Ų162.694%0.94478%0.783SS**SBendtrans62.3100-164.7-51.7-167.314700115.4
566G43.3Very low46.7Very low79 Ų79168.6 Ų168.681%0.81480%0.799SS**  trans-170.787.1-178.900000117.1
567D41.7Very low46.3Very low107 Ų107167.1 Ų167.157%0.57280%0.798SS**  trans48.187.8164.3-156.85.7000119.2H569 R570D567-H569 PolarHBondContact O-N 3.31Å; D567-H569 WeakPolarHBondContact OD1-CB 3.42Å; D567-H569 PolarHBondContact OD1-N 2.84Å; D567-R570 IonicContact OD2-NH2 2.62Å
568S49.9Very low46.1Very low125 Ų125172.4 Ų172.487%0.87481%0.807SS**  trans-71.646.1163.8-58.60000114
569H44.6Very low45.8Very low144 Ų144171.2 Ų171.267%0.66780%0.803SS**  trans-149.6133.4166.9-86.185.5000107.5D567D567-H569 PolarHBondContact O-N 3.31Å; D567-H569 WeakPolarHBondContact OD1-CB 3.42Å; D567-H569 PolarHBondContact OD1-N 2.84Å
570R48.9Very low45.2Very low210 Ų210164.7 Ų164.779%0.79279%0.791SS**  -158114.661.6-75.2161.3-159.5173.77.3112D567 H572D567-R570 IonicContact OD2-NH2 2.62Å; R570-H572 PolarHBondContact O-N 3.2Å
571R46.2Very low45Very low208 Ų208165.1 Ų165.179%0.78580%0.798SS**  trans-21.199.8149.3179.4-163.7-166.2-178.811.1113.8K573R571-K573 PolarHBondContact O-N 3.32Å
572H40Very low44.7Very low191 Ų191164 Ų16488%0.88479%0.793SS**  trans-68.9120.4175.3-143.2-71.8000110R570R570-H572 PolarHBondContact O-N 3.2Å
573K51.7Low44.4Very low119 Ų119157.7 Ų157.752%0.51778%0.781SS.*  trans-96.4175.9177.2-83.4-126-176.4178.30111.4R571R571-K573 PolarHBondContact O-N 3.32Å
574H46.1Very low44.2Very low170 Ų170160.5 Ų160.579%0.78778%0.779SS**  trans79.866.4164.7-49.3-71.8000117.5K576H574-K576 PolarHBondContact O-N 3.44Å
575K45.1Very low44Very low207 Ų207158.8 Ų158.890%0.977%0.771SS**  -13.6112.7128.9175.2-178.7-178175.20112.7
576K48.8Very low43.7Very low205 Ų205154 Ų15489%0.89177%0.766SS**  trans-113.8115.5161.2-167.8164.2-173.4172.90109.3H574H574-K576 PolarHBondContact O-N 3.44Å
577S40.1Very low43.4Very low85 Ų85153.9 Ų153.959%0.59477%0.765SS**  trans-78.9134.3-179.6-177.20000111.2R579S577-R579 PolarHBondContact OG-N 3.42Å
578K43.5Very low43.1Very low217 Ų217154.8 Ų154.894%0.94378%0.78SS**  trans-126.390.2141.2-85.4-167.6171.2-172.40106.8
579R43.2Very low42.4Very low209 Ų209157.9 Ų157.979%0.78978%0.78SS**PPolyproline II helixtrans-74.6151.5168.6-176.7175.5176.2-159-4109.1S577S577-R579 PolarHBondContact OG-N 3.42Å
580S40.5Very low42.8Very low84 Ų84156.9 Ų156.959%0.58779%0.786SS**PPolyproline II helixtrans-51.815617145.20000114.4
581K45.1Very low42.1Very low212 Ų212151.5 Ų151.592%0.92279%0.787SS**PPolyproline II helixtrans-87.3121.4165.5169.8-171.5175.4-173.30108
582E38.4Very low42.2Very low169 Ų169147 Ų14779%0.7979%0.785SS**  trans-158.7179.7173.4-131.2167.1-171.300110.7
583G37Very low41.8Very low64 Ų64145.7 Ų145.766%0.6678%0.779SS**  trans-57.6157.5-166.700000117.5
584K42.1Very low41.1Very low176 Ų176148 Ų14877%0.76579%0.792SS**  cis76.8134.243.7-171.3179.8173.3175.30111.7
585E42.3Very low40.6Very low151 Ų151147.7 Ų147.771%0.70679%0.791SS**  cis-79.7-147.4-7.3-59.6-68.412.400110.8
586A40Very low40.3Very low101 Ų101143.6 Ų143.684%0.83579%0.788SS**  cis-159.4170.3-0.400000108.6
587G36.3Very low39.8Very low77 Ų77139.2 Ų139.279%0.79478%0.778SS**  cis164.3129.7-9.700000111.8
588S35.7Very low39.7Very low127 Ų127143.2 Ų143.289%0.88879%0.788SS**  trans-159153.1173.758.50000111.3
589E34Very low39.5Very low190 Ų190136.4 Ų136.489%0.88877%0.772SS**  trans-69.7160.6-172.2-80.8-177.6109.700115.9
590P53.1Low39.4Very low122 Ų122132.6 Ų132.679%0.79277%0.772SS**  trans-83.2159.2170.136.3-35.6000112.6
591A34Very low40.3Very low98 Ų98134.2 Ų134.281%0.8178%0.78SS**  trans-139.8148.2156.400000108.9
592P49.3Very low39.9Very low113 Ų113128.8 Ų128.873%0.73478%0.775SS**  trans-123.8-174.1-15231.5-10.5000114.9
593E32.4Very low39.9Very low164 Ų164133.5 Ų133.577%0.76680%0.797SS**  trans82.9159.5160.7-50.2-169.4173.300119.3
594Q36.7Very low40Very low167 Ų167137 Ų13778%0.7880%0.804SS**  trans67.6127.3166.6-49.8-174.36.800116.6
595E35Very low39.9Very low164 Ų164134.9 Ų134.977%0.76681%0.806SS**  cis174.2135.8-19.2160.5164.3-158.900102.8T597E595-T597 PolarHBondContact O-N 3.38Å
596S38.7Very low39.8Very low120 Ų120134 Ų13484%0.83981%0.812SS**  trans-82.2107.9-173.4-51.30000111.8
597T37.4Very low39.8Very low113 Ų113135.9 Ų135.969%0.69381%0.81SS**  trans-171.2154.716032.50000109.9E595E595-T597 PolarHBondContact O-N 3.38Å
598E39.3Very low40Very low170 Ų170139.6 Ų139.679%0.79481%0.811SS**  cis-164.2160.2-19.9177.6165.115200109
599A38.3Very low40.3Very low74 Ų74140.5 Ų140.561%0.61281%0.806SS**  trans46.4118.4158.800000122.4
600T41.2Very low40.7Very low128 Ų128136.9 Ų136.979%0.78580%0.8SS**  3.2162112.258.60000119.9
601P60.3Low39.8Very low118 Ų118138.1 Ų138.177%0.76680%0.801SS**  cis-139.4-175.513.634.5-12.3000116.4
602A36.3Very low40.2Very low99 Ų99141.4 Ų141.482%0.81880%0.8SS**  trans68.3145.1166.100000115.9
603E38.1Very low39.4Very low267 Ų267144 Ų144100%1.24881%0.806SS**  cis-97.6021.2-159.8169.6-17600115.6

Retrieved 603 of 603 residues in 140.2 ms (Link to these results)