A0A087Y5P8_POEFO Loading...

Chondroitin sulfate proteoglycan 5

AlphaFold DB , UniProt , Accession A0A087Y5P8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 431 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
1M36.9Very low37.9Very low238 Ų238150.6 Ų150.6100%1.17284%0.842SS**  0121.60-148.471.316500107.2
2F38.9Very low37.4Very low202 Ų202149.6 Ų149.689%0.88684%0.842SS**  trans-103172.4167.3-80.6-66.6000107.7
3P52.8Low36.9Very low121 Ų121145.6 Ų145.679%0.78684%0.839SS**  cis-134.3175.513.541.4-24.2000117.2
4A31.4Very low36.4Very low91 Ų91142.2 Ų142.275%0.75284%0.837SS**  trans-132.7161155.200000107.6
5P45.3Very low36.3Very low112 Ų112141.7 Ų141.773%0.72784%0.837SS**  trans-116.2-175.7-132.543.1-38.9000118
6T41.2Very low36.3Very low132 Ų132140.3 Ų140.381%0.8183%0.832SS**  trans64.6113.1158.850.30000120.7
7V37.2Very low36.4Very low140 Ų140142.4 Ų142.485%0.84883%0.832SS**  trans-147.8139.9144.9-178.50000108.5
8E40.1Very low36.1Very low193 Ų193143.9 Ų143.990%0.90283%0.834SS**  trans-121.3146.7171.9-174.7172.6-134.100109.7
9K32.3Very low35.6Very low186 Ų186144.2 Ų144.281%0.80983%0.831SS**  trans-15795.1-163.9-153.8172-173.8178.40118.8
10V31.7Very low36Very low126 Ų126142.4 Ų142.476%0.76482%0.824SS**  trans23126.4137-1730000121.7V12V10-V12 HydrophobicContact CG1-CG2 4.38Å
11S28.4Very low35.6Very low116 Ų116142.4 Ų142.481%0.81182%0.821SS**  178.1132.4127.735.20000109.5
12V32.9Very low35.5Very low138 Ų138136 Ų13684%0.83680%0.8SS**  cis104.8101.943167.90000112.7V10V10-V12 HydrophobicContact CG1-CG2 4.38Å
13A29.8Very low35.1Very low98 Ų98130.1 Ų130.181%0.8179%0.789SS**  trans-178.1161.9166.800000108.2
14A30.9Very low34Very low98 Ų98132.7 Ų132.781%0.8179%0.79SS**  cis-165.3166.2-28.600000108.4
15T34.3Very low34Very low135 Ų135134 Ų13483%0.82879%0.789SS**  trans-118.1148.7-177.6-34.40000112.7
16P36.4Very low33.4Very low118 Ų118135.7 Ų135.777%0.76679%0.792SS**  trans-128.9153.3147.336.9-25.6000113.8
17Q38Very low32.9Very low176 Ų176137 Ų13782%0.82279%0.793SS**  trans-108.2159.9161.2-63.9-165.960.300109.3
18I31.8Very low32.6Very low171 Ų171138 Ų13888%0.87779%0.793SS**  trans-169.6150.4154-102.7148.1000111.5
19I26.6Very low32.2Very low149 Ų149136.6 Ų136.676%0.76479%0.791SS**  trans-155152.8-173.4-79.9177.9000105.7
20P43.6Very low32.5Very low108 Ų108133.3 Ų133.370%0.70179%0.788SS**  cis-129.7-173.28.639.4-21.1000116.2
21D27.9Very low32.3Very low142 Ų142132.9 Ų132.976%0.75979%0.791SS**  trans77.1148.8141-129-50.3000123.2
22S33.7Very low32.3Very low104 Ų104134.7 Ų134.773%0.72779%0.792SS**  trans62.9156.4154.1-69.40000119.6
23A29.9Very low33Very low79 Ų79133.3 Ų133.365%0.65379%0.786SS**  cis-162.7152.1-25.200000109.9
24E29.8Very low32.8Very low175 Ų175137 Ų13782%0.81879%0.791SS**  trans52.1140.2142.7-65.7176.5164.300124.1
25T33.1Very low32.8Very low119 Ų119142.9 Ų142.973%0.7379%0.792SS**  trans75.9111.2150.351.60000123.5
26D31.1Very low32.6Very low146 Ų146145 Ų14578%0.78179%0.792SS**  81168.7122.6-68.2-30.3000124
27L30.9Very low32.2Very low161 Ų161146.6 Ų146.684%0.84380%0.795SS**  trans81.2125.6-171.1-51.2-179.6000113.3
28L30.8Very low31.9Very low159 Ų159144.6 Ų144.683%0.83279%0.794SS**  cis-138.9146.319.2-69.1165.8000113.9
29L33Very low31.9Very low165 Ų165143.3 Ų143.386%0.86479%0.794SS**  trans-87.7170.2157.3-77.4169.1000110.9
30P37.2Very low32.1Very low116 Ų116145.6 Ų145.675%0.75380%0.798SS**  -142.7154.7120.438-25.9000117.2
31S28.6Very low31.4Very low118 Ų118142.5 Ų142.583%0.82579%0.786SS**  trans71.199.3154.235.40000121.9
32N27.4Very low31.7Very low154 Ų154144.5 Ų144.582%0.82479%0.791SS**  trans-45.5178.9148-100.4-28.2000116.5
33P47.7Very low31.8Very low109 Ų109147.7 Ų147.771%0.70879%0.794SS**  cis-141.5164.2-2335.7-18.2000115.9
34L26.7Very low32Very low175 Ų175152.5 Ų152.592%0.91680%0.803SS**  trans-158.3154.8130.8-158.559.1000111
35R30.3Very low32Very low222 Ų222147.3 Ų147.384%0.83880%0.797SS**  trans-97.6148.2170.7-72.2178.2166-173.4-6.6110.3
36E29.3Very low31.9Very low179 Ų179149.1 Ų149.184%0.83680%0.802SS**  -172.7163.7102.4-99.9178.1155.200111.6
37D29.6Very low32.3Very low152 Ų152151 Ų15181%0.81381%0.806SS**  trans-77.2145.3-159.9-50.8-79.6000114.5
38V29.8Very low32.3Very low134 Ų134152.8 Ų152.881%0.81281%0.81SS**  trans-131.7111.3162.4177.70000109.6
39V33.2Very low32.6Very low143 Ų143154.2 Ų154.287%0.86781%0.813SS**  trans-70132.4162.21740000108.2
40K30.2Very low32.6Very low197 Ų197155.8 Ų155.886%0.85782%0.816SS**  trans-124.4121.6165.9-161.2-169.5176.1-169.10109.1
41G30.1Very low32.2Very low44 Ų44153.7 Ų153.745%0.45482%0.815SS.*  trans-76.1167.3168.900000112.2
42E32.7Very low32.8Very low184 Ų184156.7 Ų156.786%0.8682%0.821SS**  12.3141.7110.2-66.1141.4178.900116.2
43E37.3Very low33.2Very low170 Ų170154.7 Ų154.779%0.79482%0.816SS**  cis-153.3-162.826.9-145157.7-146.600113.1
44E33.7Very low32.4Very low180 Ų180158 Ų15884%0.84182%0.822SS**  trans-58.9170175.6-61.8167.7147.600112.9
45G29.7Very low32.7Very low67 Ų67155.7 Ų155.769%0.69182%0.815SS**  cis173.2-140.2500000112.3
46D31.6Very low32.8Very low156 Ų156151.9 Ų151.983%0.83481%0.811SS**  trans67.897.9163.1-57.5-6.9000120.2
47E38.4Very low33.3Very low186 Ų186147.9 Ų147.987%0.86980%0.801SS**  30.1127.1124.2-56.3-175170.900121.5
48E31.4Very low33.7Very low199 Ų199146.7 Ų146.793%0.9380%0.802SS**  -164.1160.6117.3-110.7177.7175.900111.6
49E36.6Very low33.9Very low188 Ų188151.9 Ų151.988%0.87981%0.807SS**  trans-87.5144.6175.9-68.2-171.8100.700112.4
50E32.8Very low34.1Very low199 Ų199152.8 Ų152.893%0.9381%0.805SS**  178160.1122.1-101.5-159.2157.400113
51G29.3Very low34.2Very low71 Ų71151.9 Ų151.973%0.73280%0.804SS**  trans82.791.2148.400000119.4P53G51-P53 WeakPolarHBondContact O-CD 3.31Å
52L41.2Very low34.3Very low181 Ų181156.5 Ų156.595%0.94882%0.822SS**PPolyproline II helixtrans-79.6124.9159.6-82.2167.4000111.5
53P36.8Very low34.1Very low113 Ų113156.3 Ų156.373%0.73482%0.819SS**PPolyproline II helixtrans-91.5132.9168.233.7-30.8000112.2G51G51-P53 WeakPolarHBondContact O-CD 3.31Å
54H31Very low33.8Very low177 Ų177157.2 Ų157.282%0.81982%0.823SS**PPolyproline II helixtrans-83.9142.6173.9-167.455000110.4
55T31.1Very low33.7Very low127 Ų127154.2 Ų154.278%0.77982%0.817SS**  trans-119.9112.2-174.656.40000112.7
56D32.5Very low33.9Very low142 Ų142155.7 Ų155.776%0.75982%0.823SS**  trans-128.2149.2168.3-99.5-36.4000110.8
57P40.6Very low33.9Very low95 Ų95156.3 Ų156.362%0.61782%0.823SS**PPolyproline II helixtrans-92.6148.8-168.635.3-35.8000114.9
58P37.9Very low33.5Very low128 Ų128156.5 Ų156.583%0.83182%0.821SS**PPolyproline II helixtrans-82.5139.9178.933.1-34.7000113.3
59W34.3Very low33.4Very low242 Ų242154 Ų15492%0.91782%0.815SS**PPolyproline II helixtrans-96.4145.8171.6-74.564000111.4
60I37.4Very low33.3Very low163 Ų163151.5 Ų151.584%0.83681%0.806SS**PPolyproline II helixtrans-91.1124.3179.6-63.6175.2000110.3
61H31.5Very low33.4Very low178 Ų178148.4 Ų148.482%0.82480%0.796SS**PPolyproline II helixtrans-75.9137.5168.6-84.6-73.6000111.9
62V33.1Very low33.5Very low140 Ų140153.7 Ų153.785%0.84880%0.801SS**  trans-128.6134.2154.1179.80000107.7
63K28.5Very low33.1Very low180 Ų180152 Ų15278%0.78379%0.792SS**  trans-149.5102.3-177.4179.8-167.5173-1790111.6
64E31.1Very low32.7Very low190 Ų190152.4 Ų152.489%0.88879%0.793SS**  trans-141.3114.7159-94.2160.7-15900105.8
65T31.6Very low32.6Very low116 Ų116149.6 Ų149.671%0.71279%0.788SS**  cis84.580.649.5-54.40000112.5
66A32.8Very low32.5Very low99 Ų99149.9 Ų149.982%0.81879%0.79SS**  trans-148.8150.2158.100000109.4
67M31.7Very low32.4Very low168 Ų168149.1 Ų149.183%0.82879%0.791SS**  trans-142.8178.7179.1-66.7-176.3-7100109.1
68F31Very low32.4Very low190 Ų190150 Ų15083%0.83380%0.796SS**  trans78.8140.2-175.8-63.5-82.8000115.2
69D28.6Very low32.9Very low148 Ų148149.4 Ų149.479%0.79179%0.793SS**  cis-153.1-178.2-13.5-147.3-13.9000111.6
70L34.2Very low33.4Very low134 Ų134144.1 Ų144.170%0.70279%0.79SS**  trans-110.2146.7-171.9-177.763.3000114.6
71D34.3Very low33.1Very low134 Ų134141.1 Ų141.172%0.71779%0.789SS**  trans48.3122.3161.8-68.1-21.4000122.3
72H31.8Very low33.2Very low182 Ų182137.3 Ų137.384%0.84379%0.789SS**  -165.5158.4123-123.2-93.3000114.5
73L33.1Very low33.3Very low145 Ų145135.3 Ų135.376%0.75979%0.787SS**  trans-70.3161.5174.9-66.380000111.3
74T29.2Very low33.5Very low122 Ų122133.9 Ų133.975%0.74879%0.793SS**  -178.1146.462.1-45.30000113.5
75T27.8Very low33.9Very low118 Ų118131.6 Ų131.672%0.72479%0.787SS**  trans9.6132.4155.7-50.50000122.6
76T29Very low34.5Very low134 Ų134132.1 Ų132.182%0.82279%0.792SS**  -164.3136.1128.3-76.30000112
77T31.4Very low34.5Very low125 Ų125132 Ų13277%0.76779%0.785SS**  trans-126.3147.4172.3-180000108.9
78P40.3Very low34.8Very low113 Ų113131.4 Ų131.473%0.73479%0.786SS**  -154.7-160.695.238.4-17.1000113.2
79P47.7Very low35.6Very low116 Ų116127.2 Ų127.275%0.75378%0.778SS**  -116.9179.5-63.235.4-19.3000112.4
80P45.2Very low36.1Very low131 Ų131128.4 Ų128.485%0.85178%0.784SS**  trans-102.7178.1-163.940.3-37.1000116.3
81A32.3Very low36.6Very low101 Ų101128.4 Ų128.484%0.83579%0.79SS**  trans-114.5152.9165.900000112
82A32.8Very low37.1Very low98 Ų98129.4 Ų129.481%0.8179%0.794SS**  trans-69.2133.1-178.300000111.9
83A34.8Very low37.4Very low97 Ų97127.7 Ų127.780%0.80279%0.786SS**  85.5104.85500000114.2
84T33.2Very low38.2Very low151 Ų151125.2 Ų125.293%0.92678%0.776SS**  trans-145.2138.5159.7210000109.1
85N38.5Very low38.9Very low142 Ų142125.4 Ų125.476%0.75977%0.773SS**  trans-139.4137.7174.1-178.46.4000106.8
86P44Very low39.3Very low126 Ų126129 Ų12982%0.81878%0.779SS**  trans-131.4142.8137.636-26.4000112.9
87S34.5Very low39.9Very low96 Ų96132.4 Ų132.467%0.67178%0.783SS**  trans-90.4135.5179.252.80000113.1
88N36.4Very low40.4Very low156 Ų156131.2 Ų131.283%0.83477%0.772SS**  -169.2163.9128.4-108.4-84.5000110
89P48.3Very low40.5Very low103 Ų103131.5 Ų131.567%0.66977%0.773SS**PPolyproline II helixtrans-97.9127.8178.434.7-26.5000112
90D40.2Very low40.3Very low172 Ų172130.7 Ų130.792%0.9277%0.77SS**PPolyproline II helixtrans-75.7125.7170.2-78.9-41.3000111L92D90-L92 PolarHBondContact O-N 3.45Å
91V42.9Very low40.3Very low135 Ų135129.6 Ų129.682%0.81877%0.766SS**PPolyproline II helixtrans-80.4117.1178176.30000109H93V91-H93 PolarHBondContact O-N 3.13Å
92L45.1Very low40.9Very low154 Ų154137 Ų13781%0.80677%0.772SS**  trans-66.9104.4174.4-169.176000109.9D90D90-L92 PolarHBondContact O-N 3.45Å
93H39.6Very low41.5Very low147 Ų147135 Ų13568%0.68176%0.761SS**  trans-71.4129172-156.764.2000109.4V91 D95V91-H93 PolarHBondContact O-N 3.13Å; H93-D95 IonicContact CD2-OD1 3.77Å; H93-D95 IonicContact CD2-OD2 3.83Å; H93-D95 IonicContact NE2-OD1 2.86Å
94V49.4Very low41.8Very low92 Ų92141.4 Ų141.456%0.55877%0.765SS**  trans-112.298.1177-178.50000107.7F96V94-F96 WeakPolarHBondContact O-CD2 3.35Å; V94-F96 PolarHBondContact O-N 3.24Å
95D42.7Very low41.8Very low126 Ų126141.4 Ų141.467%0.67476%0.759SS**  trans-67.7118.9175.2-74.6-65.8000110.7H93 F97H93-D95 IonicContact CD2-OD1 3.77Å; H93-D95 IonicContact CD2-OD2 3.83Å; H93-D95 IonicContact NE2-OD1 2.86Å; D95-F97 PolarHBondContact O-N 2.86Å
96F37.5Very low41.6Very low193 Ų193142.8 Ų142.885%0.84677%0.766SS**  trans-80.5117.5173.8-73.3-95.7000109.9V94 D98V94-F96 WeakPolarHBondContact O-CD2 3.35Å; V94-F96 PolarHBondContact O-N 3.24Å; F96-D98 PolarHBondContact O-N 3.49Å; F96-D98 VanDerWaalsContact O-N 3.14Å
97F40.6Very low41.4Very low207 Ų207144.2 Ų144.291%0.90877%0.767SS**  trans-74.2101.7178.9-118.8-91.7000111.4D95D95-F97 PolarHBondContact O-N 2.86Å
98D43Very low41.6Very low99 Ų99147.9 Ų147.953%0.52978%0.777SS.*  trans-87.6117.3170.1-177.4-6.9000110.5F96 S100F96-D98 PolarHBondContact O-N 3.49Å; F96-D98 VanDerWaalsContact O-N 3.14Å; D98-S100 PolarHBondContact O-N 3.28Å; D98-S100 WeakPolarHBondContact OD1-CB 3.33Å; D98-S100 PolarHBondContact OD1-N 3.32Å; D98-S100 PolarHBondContact OD1-OG 3.02Å
99P42.3Very low41.6Very low119 Ų119144.9 Ų144.977%0.77377%0.774SS**G310 helixtrans-69.5-8.5179.829.7-36000114.4S101P99-S101 VanDerWaalsContact C-N 3.27Å; P99-S101 PolarHBondContact O-N 3.44Å
100S42.7Very low41.6Very low99 Ų99145.6 Ų145.669%0.69278%0.779SS**G310 helixtrans-73.2-7.2-168.9-50.90000115.8D98D98-S100 PolarHBondContact O-N 3.28Å; D98-S100 WeakPolarHBondContact OD1-CB 3.33Å; D98-S100 PolarHBondContact OD1-N 3.32Å; D98-S100 PolarHBondContact OD1-OG 3.02Å
101S46.4Very low41.4Very low109 Ų109143.4 Ų143.476%0.76277%0.774SS**G310 helixtrans-90.8-14.8-162.558.80000116.5P99 G103P99-S101 VanDerWaalsContact C-N 3.27Å; P99-S101 PolarHBondContact O-N 3.44Å; S101-G103 VanDerWaalsContact C-N 3.26Å; S101-G103 PolarHBondContact O-N 3.32Å
102R44.8Very low40.9Very low255 Ų255142.1 Ų142.196%0.96277%0.771SS**  trans-84.954.6-169.7-138.5178.6-157.8-166.86.7114.1
103G45.3Very low41Very low56 Ų56141.1 Ų141.158%0.57777%0.774SS**  trans-136.534.8-161.500000118.6S101S101-G103 VanDerWaalsContact C-N 3.26Å; S101-G103 PolarHBondContact O-N 3.32Å
104R40.1Very low41Very low233 Ų233139.7 Ų139.788%0.87978%0.781SS**  trans-172.8136.9160.3-102.7141.5-160.3-1544.7114.5
105N33.1Very low40.3Very low151 Ų151141 Ų14181%0.80779%0.794SS**  trans61.5132.7165.8-52.7-44.4000115.8
106L35.8Very low40.3Very low170 Ų170142.2 Ų142.289%0.8980%0.799SS**  cis-135.515234.7-78.8153.9000113.2
107N39.1Very low40.4Very low157 Ų157137 Ų13784%0.8479%0.792SS**  trans-92.3141.8166.6-101-71.1000110.3
108L37.6Very low40.3Very low172 Ų172136 Ų13690%0.90179%0.79SS**  trans-170.9102.2153.4-108159.1000113.1
109A37.8Very low40.4Very low93 Ų93139.1 Ų139.177%0.76980%0.801SS**  trans64.9154.616400000119.8
110P47.2Very low40.2Very low119 Ų119140.4 Ų140.477%0.77380%0.801SS**  trans-116.7157-165.541.2-30.9000116.1
111P37Very low40.1Very low126 Ų126144 Ų14482%0.81881%0.807SS**  trans-90.7165.4154.635.6-31.2000112.8
112S31.5Very low39.6Very low108 Ų108142.9 Ų142.976%0.75581%0.813SS**  trans-76.1160.2-167.2-51.60000115.9S114S112-S114 PolarHBondContact O-N 3.33Å
113P47.7Very low39.6Very low133 Ų133135.2 Ų135.286%0.86480%0.804SS**  trans-86.3110-176.133-33.5000113.3
114S39.4Very low39.5Very low117 Ų117141.8 Ų141.882%0.81882%0.819SS**  trans-154.223.3172.774.40000115.9S112S112-S114 PolarHBondContact O-N 3.33Å
115S35.4Very low39.5Very low119 Ų119135.3 Ų135.383%0.83282%0.816SS**SBendtrans-138.2-9.3-17957.30000115.7A117S115-A117 PolarHBondContact O-N 3.09Å
116L42.6Very low40.2Very low151 Ų151133.5 Ų133.579%0.79181%0.81SS**  trans-100.862.5-178.9-151.4171.8000110.2
117A40.3Very low40.7Very low84 Ų84130.7 Ų130.769%0.69481%0.805SS**SBendtrans-150.337.1-176.300000113.3S115S115-A117 PolarHBondContact O-N 3.09Å
118H37Very low41.1Very low186 Ų186134.2 Ų134.286%0.86181%0.807SS**SBendtrans-156.220.8159.6-108.8-65.4000114.1
119E45.2Very low41.6Very low164 Ų164129.4 Ų129.477%0.76679%0.792SS**  trans-80.3158.6151.2-85.6-165.290.600109.2
120L38.5Very low42.1Very low147 Ų147131.4 Ų131.477%0.7779%0.787SS**  trans75.6132.8-159.6-49.7163.3000112
121Q40.3Very low42.3Very low173 Ų173130 Ų13081%0.80878%0.778SS**  cis-112.7135.9-1.1-95.676.51.100111.3
122G36.4Very low43Very low87 Ų87133.8 Ų133.890%0.89779%0.785SS**  trans-131.942.3172.300000112.1
123A44.1Very low43.9Very low93 Ų93135.4 Ų135.477%0.76979%0.785SS**  trans-149.837.2-166.100000114.7
124E42.8Very low43.8Very low194 Ų194137.5 Ų137.591%0.90778%0.777SS**  trans-149.6126.3164-132165.3-152.500110.2
125A41.8Very low44.2Very low97 Ų97137.2 Ų137.280%0.80277%0.766SS**  trans-82.8121.3-176.800000110.2
126T46.5Very low45Very low113 Ų113141.8 Ų141.869%0.69377%0.767SS**  trans-68.8142.8177.148.50000111W128 A129T126-W128 PolarHBondContact O-N 3.31Å; T126-A129 PolarHBondContact O-N 3.15Å
127S46.1Very low45.2Very low112 Ų112141.8 Ų141.878%0.78377%0.767SS**THydrogen-bonded Turntrans-71.222.1-170.6660000115.7
128W47.3Very low45.5Very low230 Ų230142.6 Ų142.687%0.87176%0.763SS**THydrogen-bonded Turntrans-123.92.3177.3-64.5103.6000112.6T126 M130T126-W128 PolarHBondContact O-N 3.31Å; W128-M130 PolarHBondContact O-N 3.28Å; W128-M130 VanDerWaalsContact O-N 3.16Å
129A49Very low45.9Very low72 Ų72138.9 Ų138.960%0.59576%0.756SS**  trans-63113.1165.100000109.5T126T126-A129 PolarHBondContact O-N 3.15Å
130M49Very low45.6Very low134 Ų134142.5 Ų142.566%0.6676%0.764SS**  trans-60.1134.5171.4-98.1-65.6-63.900109.6W128 E132 Y134W128-M130 PolarHBondContact O-N 3.28Å; W128-M130 VanDerWaalsContact O-N 3.16Å; M130-E132 PolarHBondContact O-N 3.09Å; M130-Y134 HydrophobicContact CE-CD2 3.82Å; M130-Y134 HydrophobicContact CE-CE2 4.33Å; M130-Y134 HydrophobicContact CE-CG 4.5Å
131P51.3Low45.8Very low90 Ų90142.5 Ų142.558%0.58477%0.765SS**  trans-59.6131.4174.7-23.133.6000111N133P131-N133 PolarHBondContact O-N 2.75Å
132E50.3Low46.1Very low206 Ų206142.6 Ų142.696%0.96377%0.771SS**SBendtrans-68.114.8-179.2-58.8-170145.300114.3M130M130-E132 PolarHBondContact O-N 3.09Å
133N50.2Low46.2Very low141 Ų141141.4 Ų141.475%0.75476%0.758SS**  trans-123.358.8-176-170.166000111.5P131P131-N133 PolarHBondContact O-N 2.75Å
134Y45.7Very low45.6Very low178 Ų178145.8 Ų145.870%0.69877%0.765SS**  trans-120.994.2161.6-100.5-83.3000108.9M130 Y136M130-Y134 HydrophobicContact CE-CD2 3.82Å; M130-Y134 HydrophobicContact CE-CE2 4.33Å; M130-Y134 HydrophobicContact CE-CG 4.5Å; Y134-Y136 PolarHBondContact O-N 3.4Å
135D48.3Very low45.3Very low111 Ų111142.4 Ų142.459%0.59476%0.758SS**  trans-74.5105178.8-172.4-4.5000110.2L137D135-L137 PolarHBondContact O-N 3.32Å; D135-L137 WeakPolarHBondContact OD1-CB 3.12Å; D135-L137 PolarHBondContact OD1-N 3.17Å
136Y52.2Low44.8Very low215 Ų215144.1 Ų144.184%0.84376%0.759SS**THydrogen-bonded Turntrans-82.79.7-175.1-122.6-85.2000113.7Y134Y134-Y136 PolarHBondContact O-N 3.4Å
137L46.2Very low44.2Very low151 Ų151145 Ų14579%0.79176%0.764SS**THydrogen-bonded Turntrans-113.73.9-169.7-69.5170.7000115.4D135 P139D135-L137 PolarHBondContact O-N 3.32Å; D135-L137 WeakPolarHBondContact OD1-CB 3.12Å; D135-L137 PolarHBondContact OD1-N 3.17Å; L137-P139 WeakPolarHBondContact O-CD 3.44Å
138T48.3Very low44Very low101 Ų101145.6 Ų145.662%0.6276%0.762SS**  trans-76.8119.917040.50000111.2
139P43.8Very low43.6Very low108 Ų108142.3 Ų142.370%0.70176%0.762SS**  trans-66.7141.5166.4-14.630.7000109.7L137 D141L137-P139 WeakPolarHBondContact O-CD 3.44Å; P139-D141 PolarHBondContact O-N 3.2Å; P139-D141 VanDerWaalsContact O-N 3.13Å
140Y40.5Very low42.9Very low239 Ų239145.4 Ų145.494%0.93776%0.764SS**  trans-72.699.9163.1-89.2-104.2000108.8
141D42.3Very low42.3Very low147 Ų147148.4 Ų148.479%0.78677%0.769SS**  trans-83.8128157.1-82.3-52.8000108.5P139 G143P139-D141 PolarHBondContact O-N 3.2Å; P139-D141 VanDerWaalsContact O-N 3.13Å; D141-G143 PolarHBondContact O-N 3.27Å
142D46.4Very low41.4Very low176 Ų176149.2 Ų149.294%0.94178%0.778SS**  trans-61.3129.2-180-87.1-55.7000111.7
143G39Very low40.5Very low61 Ų61149.2 Ų149.263%0.62977%0.77SS**  trans-158.47.6-162.700000120.2D141D141-G143 PolarHBondContact O-N 3.27Å
144M30.5Very low39.9Very low185 Ų185147.4 Ų147.491%0.91177%0.768SS**  trans-143.9118.1171.8-133.288.4-100.300112.7
145T35.7Very low39.3Very low123 Ų123143.3 Ų143.376%0.75576%0.762SS**  trans-92.2177.1172.151.30000111.2
146T32.5Very low39.1Very low134 Ų134142.8 Ų142.882%0.82276%0.763SS**  trans78.6138.9-179.478.80000114.9
147T32.8Very low38.3Very low130 Ų130139.5 Ų139.580%0.79877%0.765SS**  cis-122.7163.8-2.447.30000112.5
148V42.6Very low37.9Very low125 Ų125139.1 Ų139.176%0.75876%0.764SS**  trans-65.4139.9161.5173.70000109.4
149D38.1Very low37.2Very low162 Ų162138.5 Ų138.587%0.86677%0.769SS**  trans-147.5159.5142.2-116.4-42.8000109.6
150E36.2Very low37Very low136 Ų136143.9 Ų143.964%0.63678%0.777SS**  trans-117.1-177.1-154.1-155.9174.2149.200113.6
151Y35.2Very low36.6Very low197 Ų197140 Ų14077%0.77377%0.767SS**  trans75.7109.4177-53.7-86.2000115.3
152S32.7Very low36.2Very low108 Ų108137.4 Ų137.476%0.75576%0.757SS**  cis84.697.938.4-550000115.4
153Y31.7Very low35.8Very low206 Ų206136.7 Ų136.781%0.80875%0.748SS**  trans-151.5145.2131.1-168.3-111.2000110.6T155Y153-T155 WeakPolarHBondContact CE1-OG1 3.49Å; Y153-T155 VanDerWaalsContact CZ-OG1 3.31Å; Y153-T155 PolarHBondContact OH-OG1 2.82Å; Y153-T155 VanDerWaalsContact OH-OG1 3.09Å
154S37.5Very low35.7Very low102 Ų102143.4 Ų143.471%0.71376%0.763SS**  trans-145137.2177.4-64.30000110.2
155T33.8Very low36Very low93 Ų93140 Ų14057%0.57175%0.749SS**  trans-147.499.7167.1-56.70000105.9Y153Y153-T155 WeakPolarHBondContact CE1-OG1 3.49Å; Y153-T155 VanDerWaalsContact CZ-OG1 3.31Å; Y153-T155 PolarHBondContact OH-OG1 2.82Å; Y153-T155 VanDerWaalsContact OH-OG1 3.09Å
156T42.6Very low36Very low100 Ų100141.3 Ų141.361%0.61375%0.75SS**  62.688.463.975.90000113.9
157T36.8Very low36.1Very low145 Ų145143.6 Ų143.689%0.8974%0.744SS**  trans-137.889.3149.947.40000109.3
158D36.4Very low36Very low144 Ų144147.1 Ų147.177%0.7775%0.751SS**  trans-59.4168160.8-55.3-87.2000111.7
159A35.2Very low35.7Very low87 Ų87146.1 Ų146.172%0.71976%0.756SS**  cis-172.2154.6-25.600000108.5
160Y39.2Very low35.4Very low222 Ų222143.1 Ų143.187%0.87175%0.754SS**  trans175.5153.8151.969-90.1000108.1
161E31.5Very low35.3Very low156 Ų156140.5 Ų140.573%0.72976%0.764SS**  cis-144.2143.4-31.8-85.3-89.5145.500103.5
162T33.4Very low35Very low93 Ų93136.7 Ų136.757%0.57177%0.765SS**  47.3123.989.560000112.8
163E37.8Very low35.3Very low162 Ų162137.4 Ų137.476%0.75777%0.768SS**  cis-171154.5-3.254.4-138.2114.600112.2
164E36.7Very low35.3Very low201 Ų201132.3 Ų132.394%0.93977%0.768SS**  trans-170.1131.3137.6-110.8-175.2136.100111.2
165D36.8Very low35.1Very low115 Ų115139.1 Ų139.162%0.61578%0.778SS**  trans-118.9132.1172.9163.636.3000108.5R167D165-R167 PolarHBondContact OD1-N 2.92Å; D165-R167 IonicContact OD1-NH1 3.6Å; D165-R167 IonicContact OD2-CZ 3.87Å; D165-R167 IonicContact OD2-NH1 3.87Å; D165-R167 PolarHBondContact OD2-NH1 2.88Å
166L36.5Very low35.2Very low150 Ų150139.9 Ų139.979%0.78579%0.788SS**  trans-165.1103.8140.9-108170.8000113
167R35.8Very low35Very low181 Ų181146.4 Ų146.468%0.68380%0.801SS**  trans15.6124.3139.5-60.4166.5-17864.58.8118D165D165-R167 PolarHBondContact OD1-N 2.92Å; D165-R167 IonicContact OD1-NH1 3.6Å; D165-R167 IonicContact OD2-CZ 3.87Å; D165-R167 IonicContact OD2-NH1 3.87Å; D165-R167 PolarHBondContact OD2-NH1 2.88Å
168E29.5Very low34.9Very low204 Ų204145.2 Ų145.295%0.95380%0.795SS**  -148.5149.1117.9-130.5174-166.100111.8
169A35.7Very low34.9Very low105 Ų105149.9 Ų149.987%0.86880%0.802SS**  trans-115.9110.4-17100000111.6
170A33.5Very low35.1Very low99 Ų99151.9 Ų151.982%0.81881%0.805SS**  trans-117.4115.6169.400000109.4S172A170-S172 PolarHBondContact O-N 3.41Å
171G32.7Very low35.1Very low81 Ų81146.8 Ų146.884%0.83580%0.8SS**PPolyproline II helixtrans-78.2117.5-173.800000113.3
172S30.3Very low35.2Very low116 Ų116142.9 Ų142.981%0.81180%0.801SS**PPolyproline II helixtrans-70129.7166.8-65.80000110.6A170A170-S172 PolarHBondContact O-N 3.41Å
173P37.5Very low35.8Very low123 Ų123145 Ų14580%0.79982%0.82SS**PPolyproline II helixtrans-69146.7-176.527.8-34.8000112.3R175P173-R175 PolarHBondContact O-N 3.01Å
174A32.5Very low35.7Very low100 Ų100139.6 Ų139.683%0.82681%0.807SS**PPolyproline II helixtrans-62.3123.2-178.200000111.9S176A174-S176 PolarHBondContact O-N 3.36Å
175R33.3Very low36Very low245 Ų245135.3 Ų135.393%0.92580%0.799SS**  trans-67.6100.9174.9-167.9176.1-168.6163.13.2109.5P173 R177P173-R175 PolarHBondContact O-N 3.01Å; R175-R177 PolarHBondContact O-N 2.83Å
176S35.9Very low35.9Very low109 Ų109138 Ų13876%0.76281%0.806SS**PPolyproline II helixtrans-60.4124.4-179.142.60000111.3A174A174-S176 PolarHBondContact O-N 3.36Å
177R37.8Very low36.3Very low237 Ų237137.1 Ų137.189%0.89480%0.801SS**PPolyproline II helixtrans-64.7133.7171.9-71.5-175.2177.5-173.5-0.9109.4R175 R179R175-R177 PolarHBondContact O-N 2.83Å; R177-R179 PolarHBondContact O-N 2.73Å
178P35Very low36.5Very low119 Ų119134.6 Ų134.677%0.77381%0.808SS**PPolyproline II helixtrans-57.1127.9164.7-23.434.4000110.2V180P178-V180 PolarHBondContact O-N 3.31Å
179R36.2Very low37.3Very low243 Ų243128.5 Ų128.592%0.91780%0.8SS**  trans-88.596.4-178.6-168.8180-163.6159.94.8109.4R177 P181R177-R179 PolarHBondContact O-N 2.73Å; R179-P181 VanDerWaalsContact O-CD 3.31Å; R179-P181 WeakPolarHBondContact O-CD 3.43Å
180V39.5Very low37.4Very low128 Ų128125.8 Ų125.878%0.77678%0.782SS**PPolyproline II helixtrans-61.1121.2177.3-179.90000109.9P178P178-V180 PolarHBondContact O-N 3.31Å
181P40Very low37.7Very low116 Ų116127 Ų12775%0.75378%0.781SS**PPolyproline II helixtrans-66.5141.9167.9-17.933.1000110.2R179R179-P181 VanDerWaalsContact O-CD 3.31Å; R179-P181 WeakPolarHBondContact O-CD 3.43Å
182G32.8Very low38.1Very low74 Ų74131.3 Ų131.376%0.76377%0.774SS**PPolyproline II helixtrans-61.4154-170.200000114.8G184G182-G184 PolarHBondContact O-N 2.92Å
183S45.9Very low39Very low137 Ų137132 Ų13296%0.95878%0.776SS**PPolyproline II helixtrans-56.3120.4179.3-172.70000111.9
184G35.8Very low39.5Very low48 Ų48129.9 Ų129.950%0.49578%0.776SS.*  trans-127.1131.7172.200000109.4G182 F186G182-G184 PolarHBondContact O-N 2.92Å; G184-F186 WeakPolarHBondContact O-CD2 3.43Å; G184-F186 PolarHBondContact O-N 3.17Å; G184-F186 VanDerWaalsContact O-N 3.15Å
185S43Very low40.1Very low111 Ų111129.4 Ų129.478%0.77677%0.772SS**  trans-66.6112.4-177.3-173.60000111.2I187S185-I187 PolarHBondContact O-N 2.04Å
186F35.9Very low41.1Very low172 Ų172121.8 Ų121.875%0.75476%0.761SS**  trans-81.199.7175.1-86.2-89.1000110.6G184 P188G184-F186 WeakPolarHBondContact O-CD2 3.43Å; G184-F186 PolarHBondContact O-N 3.17Å; G184-F186 VanDerWaalsContact O-N 3.15Å; F186-P188 WeakPolarHBondContact O-CD 3.49Å
187I44.6Very low42.2Very low131 Ų131120.2 Ų120.267%0.67275%0.749SS**  trans-82.6118.9165.2-60.7177.9000108.2S185 G189S185-I187 PolarHBondContact O-N 2.04Å; I187-G189 PolarHBondContact O-N 3.16Å
188P40.1Very low43.3Very low128 Ų128115.2 Ų115.283%0.83174%0.74SS**THydrogen-bonded Turntrans-71.2116.8177.128.6-33000110.4F186F186-P188 WeakPolarHBondContact O-CD 3.49Å
189G44.8Very low44.5Very low77 Ų77113.1 Ų113.179%0.79472%0.724SS**THydrogen-bonded Turntrans133.4-8.617200000116.6I187I187-G189 PolarHBondContact O-N 3.16Å
190G38.8Very low45.9Very low47 Ų47103.3 Ų103.349%0.48569%0.693SS.*  trans-79.9127.4178.100000113.5Y192G190-Y192 PolarHBondContact O-N 3.49Å
191P40.6Very low47.1Very low124 Ų124103.7 Ų103.781%0.80570%0.698SS**  trans-76.7109.9172.729.9-32.4000110.7P193P191-P193 WeakPolarHBondContact O-CD 3.37Å
192Y40.8Very low48.3Very low173 Ų173103.2 Ų103.268%0.67869%0.689SS**  trans-78.1118.8175.9-77-92.9000111.9G190G190-Y192 PolarHBondContact O-N 3.49Å
193P49.5Very low50.5Low131 Ų131102.3 Ų102.385%0.85168%0.68SS**SBendtrans-83.3119.7169.132.8-30.5000110.3P191P191-P193 WeakPolarHBondContact O-CD 3.37Å
194G47.6Very low52.3Low78 Ų7895.8 Ų95.880%0.80463%0.634SS**  trans145.2-26168.400000115.9A196G194-A196 PolarHBondContact O-N 3.03Å; G194-A196 VanDerWaalsContact O-N 3.09Å
195A44.9Very low54.4Low90 Ų90101.5 Ų101.574%0.74464%0.641SS**  trans-78.592.3170.500000109.4P197A195-P197 WeakPolarHBondContact O-CD 3.45Å
196A53Low56Low85 Ų8599.7 Ų99.770%0.70263%0.625SS**  trans-56.4121.7165.200000107.9G194 N198G194-A196 PolarHBondContact O-N 3.03Å; G194-A196 VanDerWaalsContact O-N 3.09Å; A196-N198 PolarHBondContact O-N 3.14Å
197P59.3Low57.9Low76 Ų7692.2 Ų92.249%0.49460%0.597SS.*  trans-65.3135.3178.427.2-33.3000108.6A195 V199A195-P197 WeakPolarHBondContact O-CD 3.45Å; P197-V199 HydrophobicContact CB-CG2 3.92Å; P197-V199 HydrophobicContact CG-CG2 3.77Å; P197-V199 PolarHBondContact O-N 3.49Å
198N61.1Low59.5Low132 Ų13290.9 Ų90.971%0.70658%0.584SS**  trans-65.486.7168.5-85.1-2.6000108.5A196 R205 V206A196-N198 PolarHBondContact O-N 3.14Å; N198-R205 WeakPolarHBondContact O-CA 3.03Å; N198-V206 HydrophobicContact CB-CG2 3.98Å; N198-V206 PolarHBondContact O-N 3.35Å
199V59.7Low61.5Low74 Ų7490.8 Ų90.845%0.44857%0.572SS.*BIsolated β-bridgetrans-96.9116.5179.2166.30000107.4P197 C204P197-V199 HydrophobicContact CB-CG2 3.92Å; P197-V199 HydrophobicContact CG-CG2 3.77Å; P197-V199 PolarHBondContact O-N 3.49Å; V199-C204 CarbonylContact C-O 3.59Å; V199-C204 WeakPolarHBondContact CA-O 3.04Å
200S65.4Low63.4Low37 Ų3791.2 Ų91.226%0.25956%0.556SS.*  trans-59.8155.1166.5-68.90000109.4N202 G203 C204S200-N202 PolarHBondContact O-N 2.9Å; S200-G203 PolarHBondContact O-N 3.2Å; S200-C204 PolarHBondContact N-O 2.62Å
201P64.8Low65.6Low136 Ų13691 Ų9188%0.88354%0.543SS*.THydrogen-bonded Turntrans-54.7-16.6-17820.3-33.6000114.9G203P201-G203 VanDerWaalsContact C-N 3.28Å; P201-G203 PolarHBondContact O-N 2.88Å
202N66.7Low67.8Low106 Ų10693 Ų9357%0.56755%0.547SS*.THydrogen-bonded Turntrans-83.210.3176.3-55.7-6.9000113.9S200 C204 L210S200-N202 PolarHBondContact O-N 2.9Å; N202-C204 PolarHBondContact O-N 3.31Å; N202-L210 HydrophobicContact CB-CB 4.31Å
203G78.4Confident69.8Low55 Ų5588 Ų8857%0.56755%0.549SS*.SBendtrans79.7-13.1178.200000115.7S200 P201S200-G203 PolarHBondContact O-N 3.2Å; P201-G203 VanDerWaalsContact C-N 3.28Å; P201-G203 PolarHBondContact O-N 2.88Å
204C82.9Confident71.6Confident1 Ų184.8 Ų84.81%0.00753%0.529CS..SBendtrans-86157.2176.5-60.60000112.7V199 S200 N202 Y208 C215V199-C204 CarbonylContact C-O 3.59Å; V199-C204 WeakPolarHBondContact CA-O 3.04Å; S200-C204 PolarHBondContact N-O 2.62Å; N202-C204 PolarHBondContact O-N 3.31Å; C204-Y208 VanDerWaalsContact CB-O 3.25Å; C204-Y208 WeakPolarHBondContact CB-O 3.41Å; C204-C215 WeakPolarHBondContact CA-SG 3.25Å; C204-C215 HydrophobicContact CB-CB 3.78Å; C204-C215 WeakPolarHBondContact CB-SG 3.38Å; C204-C215 VanDerWaalsContact SG-CA 3.51Å; C204-C215 WeakPolarHBondContact SG-CB 3.13Å; C204-C215 CovalentContact SG-SG 2.04Å; C204-C215 PolarHBondContact SG-SG 3.47Å
205R80.4Confident73.5Confident167 Ų16783.6 Ų83.663%0.6351%0.508SS*.BIsolated β-bridgetrans-59.8150.5168.5-69.9179.6-178.9-99.90.2110.3N198 G207 Y208N198-R205 WeakPolarHBondContact O-CA 3.03Å; R205-G207 PolarHBondContact O-N 3.3Å; R205-Y208 HydrophobicContact CB-CD2 3.83Å; R205-Y208 HydrophobicContact CB-CE2 4.34Å; R205-Y208 WeakPolarHBondContact O-CB 3.33Å; R205-Y208 PolarHBondContact O-N 2.98Å
206V77Confident75.5Confident73 Ų7383.6 Ų83.644%0.44249%0.489SS..THydrogen-bonded Turntrans-48.6131.9166.4172.40000109.7N198N198-V206 HydrophobicContact CB-CG2 3.98Å; N198-V206 PolarHBondContact O-N 3.35Å
207G76Confident77Confident16 Ų1680.6 Ų80.617%0.16546%0.463CS..THydrogen-bonded Turntrans94.3-22.2-171.500000116.3R205 Q234 G237R205-G207 PolarHBondContact O-N 3.3Å; G207-Q234 VanDerWaalsContact CA-NE2 3.32Å; G207-Q234 PolarHBondContact O-NE2 2.83Å; G207-Q234 PolarHBondContact O-OE1 2.85Å; G207-G237 VanDerWaalsContact CA-O 3.29Å; G207-G237 WeakPolarHBondContact CA-O 3.47Å
208Y78.6Confident78.1Confident103 Ų10378.4 Ų78.440%0.40445%0.451SS..EExtended strand (participates in β ladder)trans-101.3128.1-177.6-67.1-107.9000110.9C204 R205 C215 R216C204-Y208 VanDerWaalsContact CB-O 3.25Å; C204-Y208 WeakPolarHBondContact CB-O 3.41Å; R205-Y208 HydrophobicContact CB-CD2 3.83Å; R205-Y208 HydrophobicContact CB-CE2 4.34Å; R205-Y208 WeakPolarHBondContact O-CB 3.33Å; R205-Y208 PolarHBondContact O-N 2.98Å; Y208-C215 HydrophobicContact CD1-CB 4.44Å; Y208-R216 CarbonylContact C-O 3.54Å; Y208-R216 VanDerWaalsContact CA-O 3.22Å; Y208-R216 WeakPolarHBondContact CA-O 3.29Å
209Q81.6Confident79.3Confident125 Ų12573 Ų7358%0.58442%0.423SS*.EExtended strand (participates in β ladder)trans-94.5140173.8-64.7-16910.300110.5I211 R216Q209-I211 HydrophobicContact CB-CD1 4.19Å; Q209-I211 HydrophobicContact CB-CG1 4.28Å; Q209-I211 PolarHBondContact O-N 2.8Å; Q209-R216 PolarHBondContact N-O 3.18Å; Q209-R216 PolarHBondContact O-N 2.88Å
210L84.8Confident80.6Confident87 Ų8773.5 Ų73.546%0.45542%0.421SS..EExtended strand (participates in β ladder)trans-80.7109.9177.2-174.171.1000109.6N202N202-L210 HydrophobicContact CB-CB 4.31Å
211I84Confident81.3Confident41 Ų4176.4 Ų76.421%0.2143%0.431CS..EExtended strand (participates in β ladder)trans-131.8122.6-174.6-63.2178000108.6Q209 G213 S214 R216 M221Q209-I211 HydrophobicContact CB-CD1 4.19Å; Q209-I211 HydrophobicContact CB-CG1 4.28Å; Q209-I211 PolarHBondContact O-N 2.8Å; I211-G213 PolarHBondContact O-N 2.89Å; I211-S214 PolarHBondContact N-O 3.38Å; I211-S214 PolarHBondContact O-N 3.37Å; I211-S214 VanDerWaalsContact O-O 3.08Å; I211-R216 HydrophobicContact CB-CG 4.33Å; I211-M221 HydrophobicContact CD1-CE 3.5Å; I211-M221 VanDerWaalsContact CD1-CE 3.5Å; I211-M221 HydrophobicContact CD1-CG 4.26Å; I211-M221 HydrophobicContact CD1-SD 3.21Å; I211-M221 WeakPolarHBondContact CD1-SD 3.44Å
212N87.1Confident82.1Confident166 Ų16675.1 Ų75.189%0.88841%0.413SS*.THydrogen-bonded Turntrans51.534.8-174.2-57.8-17.4000113.3S214N212-S214 VanDerWaalsContact C-N 3.28Å; N212-S214 PolarHBondContact O-N 3.4Å
213G83.5Confident82.8Confident69 Ų6974.6 Ų74.671%0.71142%0.416SS*.THydrogen-bonded Turntrans78.50.4-177.700000115.5I211I211-G213 PolarHBondContact O-N 2.89Å
214S86.4Confident83.1Confident64 Ų6477.7 Ų77.745%0.44842%0.419SS..EExtended strand (participates in β ladder)trans-110.7146175.4-170.60000111.6I211 N212 R216I211-S214 PolarHBondContact N-O 3.38Å; I211-S214 PolarHBondContact O-N 3.37Å; I211-S214 VanDerWaalsContact O-O 3.08Å; N212-S214 VanDerWaalsContact C-N 3.28Å; N212-S214 PolarHBondContact O-N 3.4Å; S214-R216 PolarHBondContact O-N 2.96Å
215C87.3Confident83.3Confident52 Ų5280.5 Ų80.535%0.35143%0.43SS..EExtended strand (participates in β ladder)trans-85102.4176.7-65.50000110.4C204 Y208C204-C215 WeakPolarHBondContact CA-SG 3.25Å; C204-C215 HydrophobicContact CB-CB 3.78Å; C204-C215 WeakPolarHBondContact CB-SG 3.38Å; C204-C215 VanDerWaalsContact SG-CA 3.51Å; C204-C215 WeakPolarHBondContact SG-CB 3.13Å; C204-C215 CovalentContact SG-SG 2.04Å; C204-C215 PolarHBondContact SG-SG 3.47Å; Y208-C215 HydrophobicContact CD1-CB 4.44Å
216R86.6Confident83.7Confident91 Ų9173.5 Ų73.534%0.34341%0.407SS..EExtended strand (participates in β ladder)trans-95.6142.5178.5-63.2-165.4166.6-129-17.3111.4Y208 Q209 I211 S214 E220Y208-R216 CarbonylContact C-O 3.54Å; Y208-R216 VanDerWaalsContact CA-O 3.22Å; Y208-R216 WeakPolarHBondContact CA-O 3.29Å; Q209-R216 PolarHBondContact N-O 3.18Å; Q209-R216 PolarHBondContact O-N 2.88Å; I211-R216 HydrophobicContact CB-CG 4.33Å; S214-R216 PolarHBondContact O-N 2.96Å; R216-E220 WeakPolarHBondContact CA-OE2 3.22Å; R216-E220 HydrophobicContact CB-CB 4.4Å; R216-E220 WeakPolarHBondContact CB-OE2 3.47Å; R216-E220 WeakPolarHBondContact CG-OE2 3.47Å; R216-E220 IonicContact CZ-OE1 2.87Å; R216-E220 IonicContact NE-OE1 3.24Å; R216-E220 PolarHBondContact NE-OE1 3.47Å; R216-E220 IonicContact NH1-OE1 3.05Å; R216-E220 PolarHBondContact NH1-OE1 2.86Å; R216-E220 IonicContact NH2-OE1 3.17Å; R216-E220 PolarHBondContact NH2-OE1 2.85Å
217S84.6Confident84.2Confident22 Ų2273.1 Ų73.115%0.15440%0.402CS..EExtended strand (participates in β ladder)trans-82.8163.817364.70000111.6C219 E220 M221S217-C219 PolarHBondContact O-N 2.92Å; S217-E220 PolarHBondContact O-N 3.27Å; S217-E220 PolarHBondContact OG-N 3.48Å; S217-M221 PolarHBondContact O-N 3.17Å; S217-M221 VanDerWaalsContact O-N 3.12Å
218A84Confident84.5Confident29 Ų2976.6 Ų76.624%0.2442%0.417CS..Hα-helixtrans-61.4-29.3173.300000112.3M221 Q222 Q234 I240A218-M221 PolarHBondContact O-N 2.79Å; A218-Q222 PolarHBondContact O-N 3.2Å; A218-Q222 VanDerWaalsContact O-N 3.08Å; A218-Q234 HydrophobicContact CB-CG 4.44Å; A218-I240 HydrophobicContact CB-CG2 3.44Å; A218-I240 VanDerWaalsContact CB-CG2 3.44Å
219C85.6Confident84.8Confident20 Ų2074.7 Ų74.714%0.13543%0.429CS..Hα-helixtrans-64.4-37171.5-68.50000113.5S217 M221 Q222 C232S217-C219 PolarHBondContact O-N 2.92Å; C219-M221 VanDerWaalsContact C-N 3.34Å; C219-Q222 CarbonylContact O-C 3.38Å; C219-C232 VanDerWaalsContact CA-SG 3.56Å; C219-C232 HydrophobicContact CB-CB 3.63Å; C219-C232 WeakPolarHBondContact CB-SG 3.43Å; C219-C232 WeakPolarHBondContact SG-CB 3.21Å; C219-C232 CovalentContact SG-SG 2.04Å; C219-C232 PolarHBondContact SG-SG 3.05Å
220E86Confident85.1Confident84 Ų8469.4 Ų69.439%0.39341%0.407SS..Hα-helixtrans-76.1-25.5176.7-166.6-174.916800112.1R216 S217R216-E220 WeakPolarHBondContact CA-OE2 3.22Å; R216-E220 HydrophobicContact CB-CB 4.4Å; R216-E220 WeakPolarHBondContact CB-OE2 3.47Å; R216-E220 WeakPolarHBondContact CG-OE2 3.47Å; R216-E220 IonicContact CZ-OE1 2.87Å; R216-E220 IonicContact NE-OE1 3.24Å; R216-E220 PolarHBondContact NE-OE1 3.47Å; R216-E220 IonicContact NH1-OE1 3.05Å; R216-E220 PolarHBondContact NH1-OE1 2.86Å; R216-E220 IonicContact NH2-OE1 3.17Å; R216-E220 PolarHBondContact NH2-OE1 2.85Å; S217-E220 PolarHBondContact O-N 3.27Å; S217-E220 PolarHBondContact OG-N 3.48Å
221M81.7Confident85.2Confident98 Ų9870.2 Ų70.248%0.48341%0.409SS..Hα-helixtrans-72.1-34171.9-70.4-66.9-81.800112.7I211 S217 A218 C219 P223I211-M221 HydrophobicContact CD1-CE 3.5Å; I211-M221 VanDerWaalsContact CD1-CE 3.5Å; I211-M221 HydrophobicContact CD1-CG 4.26Å; I211-M221 HydrophobicContact CD1-SD 3.21Å; I211-M221 WeakPolarHBondContact CD1-SD 3.44Å; S217-M221 PolarHBondContact O-N 3.17Å; S217-M221 VanDerWaalsContact O-N 3.12Å; A218-M221 PolarHBondContact O-N 2.79Å; C219-M221 VanDerWaalsContact C-N 3.34Å; M221-P223 VanDerWaalsContact C-CD 3.44Å; M221-P223 WeakPolarHBondContact O-CD 3.49Å
222Q82Confident85.5Confident108 Ų10870.3 Ų70.351%0.50541%0.413SS..  trans-121.367.2-178.2-159.168.342.400111.4A218 C219 N224 Y225 I240A218-Q222 PolarHBondContact O-N 3.2Å; A218-Q222 VanDerWaalsContact O-N 3.08Å; C219-Q222 CarbonylContact O-C 3.38Å; Q222-N224 PolarHBondContact O-N 2.04Å; Q222-N224 VanDerWaalsContact O-N 3.09Å; Q222-Y225 HydrophobicContact CG-CD2 4.44Å; Q222-Y225 WeakPolarHBondContact O-CB 3.39Å; Q222-Y225 PolarHBondContact O-N 3.27Å; Q222-I240 HydrophobicContact CB-CD1 4.45Å
223P81.1Confident85.4Confident95 Ų9567.6 Ų67.662%0.61739%0.391SS*.THydrogen-bonded Turntrans-61.2-25.6-17424.8-35.2000113.6M221 Y225M221-P223 VanDerWaalsContact C-CD 3.44Å; M221-P223 WeakPolarHBondContact O-CD 3.49Å; P223-Y225 VanDerWaalsContact C-N 3.3Å; P223-Y225 PolarHBondContact O-N 3.08Å
224N83.4Confident85.5Confident120 Ų12066.6 Ų66.664%0.64237%0.368SS*.THydrogen-bonded Turntrans-8914.3175.9-61-14.9000113.1Q222 R256Q222-N224 PolarHBondContact O-N 2.04Å; Q222-N224 VanDerWaalsContact O-N 3.09Å; N224-R256 PolarHBondContact O-NH2 2.84Å; N224-R256 VanDerWaalsContact O-NH2 3.11Å
225Y86.8Confident85.2Confident60 Ų6067.8 Ų67.824%0.23537%0.368CS..SBendtrans-69.6-52.4178.3-172.4-107.4000111.4Q222 P223 I240 C242 R256Q222-Y225 HydrophobicContact CG-CD2 4.44Å; Q222-Y225 WeakPolarHBondContact O-CB 3.39Å; Q222-Y225 PolarHBondContact O-N 3.27Å; P223-Y225 VanDerWaalsContact C-N 3.3Å; P223-Y225 PolarHBondContact O-N 3.08Å; Y225-I240 HydrophobicContact CD1-CB 4.32Å; Y225-I240 HydrophobicContact CD1-CD1 3.63Å; Y225-I240 HydrophobicContact CD1-CG1 3.89Å; Y225-I240 HydrophobicContact CD2-CD1 3.67Å; Y225-I240 HydrophobicContact CD2-CG1 4.39Å; Y225-I240 HydrophobicContact CE1-CB 4.25Å; Y225-I240 HydrophobicContact CE1-CD1 3.95Å; Y225-I240 HydrophobicContact CE1-CG1 3.73Å; Y225-I240 WeakPolarHBondContact CE1-O 3.03Å; Y225-I240 HydrophobicContact CE2-CD1 3.97Å; Y225-I240 HydrophobicContact CE2-CG1 4.22Å; Y225-I240 HydrophobicContact CG-CD1 3.5Å; Y225-I240 HydrophobicContact CG-CG1 4.24Å; Y225-I240 PolarHBondContact OH-O 2.98Å; Y225-C242 WeakPolarHBondContact CD1-SG 3.35Å; Y225-C242 WeakPolarHBondContact CE1-SG 3.02Å; Y225-R256 HydrophobicContact CE1-CG 3.98Å; Y225-R256 HydrophobicContact CE2-CG 4.05Å; Y225-R256 VanDerWaalsContact O-CZ 3.29Å; Y225-R256 PolarHBondContact O-NE 3.49Å; Y225-R256 PolarHBondContact O-NH2 2.89Å
226C89.2Confident84.5Confident20 Ų2073 Ų7314%0.13539%0.393CS..SBendtrans-92.7129.6176.9-55.30000111G230 C232 C242C226-G230 VanDerWaalsContact CB-O 3.26Å; C226-G230 WeakPolarHBondContact CB-O 2.99Å; C226-C232 VanDerWaalsContact SG-CB 3.52Å; C226-C242 WeakPolarHBondContact CA-SG 3.2Å; C226-C242 HydrophobicContact CB-CB 3.82Å; C226-C242 WeakPolarHBondContact CB-SG 3.33Å; C226-C242 WeakPolarHBondContact SG-CA 3.3Å; C226-C242 WeakPolarHBondContact SG-CB 3.5Å; C226-C242 CovalentContact SG-SG 2.03Å; C226-C242 PolarHBondContact SG-SG 2.88Å
227L87.1Confident83.7Confident66 Ų6669.5 Ų69.535%0.34639%0.385SS..  trans-103170-178.1-62.4175.2000111.4G229 G230 R256 C257 E258L227-G229 PolarHBondContact O-N 3.34Å; L227-G230 PolarHBondContact O-N 3.12Å; L227-R256 PolarHBondContact N-O 2.79Å; L227-C257 WeakPolarHBondContact O-CB 3.31Å; L227-E258 HydrophobicContact CD1-CB 4.4Å; L227-E258 HydrophobicContact CD1-CG 3.77Å
228N84.1Confident83Confident88 Ų8877.7 Ų77.747%0.47142%0.421SS..THydrogen-bonded Turntrans49.336.8172.6-59.7-50.1000114.9H252 C257 E258 V260N228-H252 PolarHBondContact O-CE1 3.38Å; N228-C257 PolarHBondContact ND2-O 2.79Å; N228-E258 PolarHBondContact ND2-O 2.98Å; N228-E258 VanDerWaalsContact ND2-O 3.14Å; N228-V260 HydrophobicContact CB-CG2 4.26Å
229G83.4Confident82.7Confident64 Ų6483 Ų8366%0.6644%0.44SS*.THydrogen-bonded Turntrans80.110.8178.900000115.8L227L227-G229 PolarHBondContact O-N 3.34Å
230G88.2Confident82.7Confident13 Ų1383.4 Ų83.413%0.13444%0.441CS..PPolyproline II helixtrans-61.5135.7174.100000112.9C226 L227 R243C226-G230 VanDerWaalsContact CB-O 3.26Å; C226-G230 WeakPolarHBondContact CB-O 2.99Å; L227-G230 PolarHBondContact O-N 3.12Å; G230-R243 CarbonylContact C-O 3.49Å; G230-R243 WeakPolarHBondContact CA-O 3.45Å
231Q88Confident82.9Confident105 Ų10584.6 Ų84.649%0.49145%0.445SS..EExtended strand (participates in β ladder)trans-81.6123.7178.4-66.8172.7-12.400110Y233 R243Q231-Y233 HydrophobicContact CB-CD2 4.42Å; Q231-Y233 HydrophobicContact CB-CE2 3.75Å; Q231-Y233 WeakPolarHBondContact O-CD2 3.03Å; Q231-Y233 PolarHBondContact OE1-OH 2.81Å; Q231-R243 HydrophobicContact CB-CB 4.42Å; Q231-R243 PolarHBondContact N-O 3.02Å; Q231-R243 PolarHBondContact O-N 2.03Å
232C88.6Confident83.2Confident43 Ų4380.1 Ų80.129%0.29142%0.423SS..EExtended strand (participates in β ladder)trans-84.1128.2177.1-170.40000111.2C219 C226C219-C232 VanDerWaalsContact CA-SG 3.56Å; C219-C232 HydrophobicContact CB-CB 3.63Å; C219-C232 WeakPolarHBondContact CB-SG 3.43Å; C219-C232 WeakPolarHBondContact SG-CB 3.21Å; C219-C232 CovalentContact SG-SG 2.04Å; C219-C232 PolarHBondContact SG-SG 3.05Å; C226-C232 VanDerWaalsContact SG-CB 3.52Å
233Y85.7Confident83.5Confident109 Ų10982.3 Ų82.343%0.42743%0.427SS..EExtended strand (participates in β ladder)trans-119.3155.3172.2-68.6-90.1000109.5Q231 I240 F241 R243Q231-Y233 HydrophobicContact CB-CD2 4.42Å; Q231-Y233 HydrophobicContact CB-CE2 3.75Å; Q231-Y233 WeakPolarHBondContact O-CD2 3.03Å; Q231-Y233 PolarHBondContact OE1-OH 2.81Å; Y233-I240 CarbonylContact O-C 3.57Å; Y233-I240 WeakPolarHBondContact O-CA 3.44Å; Y233-F241 PolarHBondContact N-O 2.03Å; Y233-F241 PolarHBondContact O-N 3.02Å; Y233-R243 HydrophobicContact CD2-CB 3.91Å; Y233-R243 HydrophobicContact CE2-CB 3.63Å; Y233-R243 HydrophobicContact CE2-CG 4.42Å
234Q86.6Confident83.9Confident47 Ų4779.2 Ų79.222%0.2241%0.407CS..EExtended strand (participates in β ladder)trans-118.5122.7174.6-168.9171.6-4.500108.7G207 A218 G237 E239 I240G207-Q234 VanDerWaalsContact CA-NE2 3.32Å; G207-Q234 PolarHBondContact O-NE2 2.83Å; G207-Q234 PolarHBondContact O-OE1 2.85Å; A218-Q234 HydrophobicContact CB-CG 4.44Å; Q234-G237 PolarHBondContact NE2-O 3.05Å; Q234-E239 CarbonylContact C-O 3.57Å; Q234-E239 WeakPolarHBondContact CA-O 3.36Å; Q234-E239 WeakPolarHBondContact CG-O 3.46Å; Q234-I240 HydrophobicContact CB-CG2 4.39Å; Q234-I240 HydrophobicContact CG-CG2 4.21Å
235L79.2Confident83.9Confident89 Ų8976.9 Ų76.947%0.46640%0.395SS..EExtended strand (participates in β ladder)trans-101.2141.3175.5-93.972.1000109.9G237 E238 E239L235-G237 PolarHBondContact O-N 3.17Å; L235-E238 PolarHBondContact O-N 3.29Å; L235-E239 PolarHBondContact N-O 3.32Å; L235-E239 PolarHBondContact O-N 3.24Å
236D72.5Confident83.5Confident163 Ų16379.1 Ų79.187%0.87241%0.414SS*.THydrogen-bonded Turntrans50.36.1170.3-58.8-38.2000118.4
237G70Confident82.9Confident16 Ų1683 Ų8317%0.16543%0.431CS..THydrogen-bonded Turntrans107.3-18.8171.500000115.1G207 Q234 L235G207-G237 VanDerWaalsContact CA-O 3.29Å; G207-G237 WeakPolarHBondContact CA-O 3.47Å; Q234-G237 PolarHBondContact NE2-O 3.05Å; L235-G237 PolarHBondContact O-N 3.17Å
238E69.3Low82.1Confident195 Ų19586.2 Ų86.291%0.91145%0.448SS*.THydrogen-bonded Turntrans-127.4-22.1-177.6-74.9-178.3105.300114.5L235L235-E238 PolarHBondContact O-N 3.29Å
239E79.3Confident81.4Confident140 Ų14088.8 Ų88.865%0.65445%0.452SS*.EExtended strand (participates in β ladder)trans-97.8139.6-179.5-168.9167.5-165.600112.4Q234 L235Q234-E239 CarbonylContact C-O 3.57Å; Q234-E239 WeakPolarHBondContact CA-O 3.36Å; Q234-E239 WeakPolarHBondContact CG-O 3.46Å; L235-E239 PolarHBondContact N-O 3.32Å; L235-E239 PolarHBondContact O-N 3.24Å
240I85.4Confident81Confident29 Ų2988.2 Ų88.215%0.14943%0.434CS..EExtended strand (participates in β ladder)trans-112.4133.7174.350.9176.7000110.9A218 Q222 Y225 Y233 Q234A218-I240 HydrophobicContact CB-CG2 3.44Å; A218-I240 VanDerWaalsContact CB-CG2 3.44Å; Q222-I240 HydrophobicContact CB-CD1 4.45Å; Y225-I240 HydrophobicContact CD1-CB 4.32Å; Y225-I240 HydrophobicContact CD1-CD1 3.63Å; Y225-I240 HydrophobicContact CD1-CG1 3.89Å; Y225-I240 HydrophobicContact CD2-CD1 3.67Å; Y225-I240 HydrophobicContact CD2-CG1 4.39Å; Y225-I240 HydrophobicContact CE1-CB 4.25Å; Y225-I240 HydrophobicContact CE1-CD1 3.95Å; Y225-I240 HydrophobicContact CE1-CG1 3.73Å; Y225-I240 WeakPolarHBondContact CE1-O 3.03Å; Y225-I240 HydrophobicContact CE2-CD1 3.97Å; Y225-I240 HydrophobicContact CE2-CG1 4.22Å; Y225-I240 HydrophobicContact CG-CD1 3.5Å; Y225-I240 HydrophobicContact CG-CG1 4.24Å; Y225-I240 PolarHBondContact OH-O 2.98Å; Y233-I240 CarbonylContact O-C 3.57Å; Y233-I240 WeakPolarHBondContact O-CA 3.44Å; Q234-I240 HydrophobicContact CB-CG2 4.39Å; Q234-I240 HydrophobicContact CG-CG2 4.21Å
241F88.7Confident80.4Confident108 Ų10894.4 Ų94.447%0.47445%0.453SS..EExtended strand (participates in β ladder)trans-128.6136.6-174.7177.9-94.8000111Y233 R243Y233-F241 PolarHBondContact N-O 2.03Å; Y233-F241 PolarHBondContact O-N 3.02Å; F241-R243 HydrophobicContact CE1-CB 4.49Å
242C89.7Confident80.2Confident4 Ų491.2 Ų91.23%0.02744%0.438CS..EExtended strand (participates in β ladder)trans-99.5116.2177.3-59.60000111.8Y225 C226 C244 A255Y225-C242 WeakPolarHBondContact CD1-SG 3.35Å; Y225-C242 WeakPolarHBondContact CE1-SG 3.02Å; C226-C242 WeakPolarHBondContact CA-SG 3.2Å; C226-C242 HydrophobicContact CB-CB 3.82Å; C226-C242 WeakPolarHBondContact CB-SG 3.33Å; C226-C242 WeakPolarHBondContact SG-CA 3.3Å; C226-C242 WeakPolarHBondContact SG-CB 3.5Å; C226-C242 CovalentContact SG-SG 2.03Å; C226-C242 PolarHBondContact SG-SG 2.88Å; C242-C244 PolarHBondContact O-N 3.09Å; C242-A255 WeakPolarHBondContact CB-O 3.37Å
243R88Confident79.6Confident155 Ų15596.1 Ų96.159%0.58545%0.454SS*.EExtended strand (participates in β ladder)trans-84.8108.2165.3-174.9-175.6-176.8123.42.9109G230 Q231 Y233 F241G230-R243 CarbonylContact C-O 3.49Å; G230-R243 WeakPolarHBondContact CA-O 3.45Å; Q231-R243 HydrophobicContact CB-CB 4.42Å; Q231-R243 PolarHBondContact N-O 3.02Å; Q231-R243 PolarHBondContact O-N 2.03Å; Y233-R243 HydrophobicContact CD2-CB 3.91Å; Y233-R243 HydrophobicContact CE2-CB 3.63Å; Y233-R243 HydrophobicContact CE2-CG 4.42Å; F241-R243 HydrophobicContact CE1-CB 4.49Å
244C88.2Confident79.4Confident29 Ų2992.7 Ų92.720%0.19645%0.452CS..  trans-70.4146.9175.8-47.60000111.7C242 V246 H252 C257C242-C244 PolarHBondContact O-N 3.09Å; C244-V246 PolarHBondContact O-N 2.88Å; C244-H252 HydrophobicContact CB-CB 3.56Å; C244-C257 WeakPolarHBondContact CA-SG 3.02Å; C244-C257 HydrophobicContact CB-CB 3.89Å; C244-C257 WeakPolarHBondContact CB-SG 3.01Å; C244-C257 WeakPolarHBondContact SG-CA 3.26Å; C244-C257 WeakPolarHBondContact SG-CB 3.36Å; C244-C257 CovalentContact SG-SG 2.03Å; C244-C257 PolarHBondContact SG-SG 3.28Å
245N84.6Confident79Confident72 Ų7294 Ų9439%0.38547%0.471SS..  trans-77108.7176.7-177.653000109.6Q247 H252N245-Q247 PolarHBondContact ND2-NE2 3.06Å; N245-H252 PolarHBondContact O-CD2 3.04Å; N245-H252 PolarHBondContact O-NE2 3.49Å
246V78.6Confident79.3Confident106 Ų10693.3 Ų93.364%0.64246%0.463SS*.  trans-85.9126.2176.6-177.40000108.9C244 W251C244-V246 PolarHBondContact O-N 2.88Å; V246-W251 HydrophobicContact CG1-CZ3 4.29Å
247Q75.6Confident80Confident102 Ų10285.6 Ų85.648%0.47742%0.421SS..BIsolated β-bridgetrans-128.2153.5171.1-68.2-178.7-32.300108.6N245 Y249 I250N245-Q247 PolarHBondContact ND2-NE2 3.06Å; Q247-Y249 PolarHBondContact O-N 3.03Å; Q247-I250 HydrophobicContact CB-CB 4.41Å; Q247-I250 PolarHBondContact O-N 2.86Å
248D70.1Confident80.7Confident134 Ų13489.5 Ų89.572%0.71744%0.435SS*.THydrogen-bonded Turntrans-57.7-19.8-166.1-50.6-59000114.9
249Y70.3Confident81.2Confident142 Ų14282.7 Ų82.756%0.55741%0.409SS*.THydrogen-bonded Turntrans-123.23.5-178-50.8-71.3000114.4Q247 E263Q247-Y249 PolarHBondContact O-N 3.03Å; Y249-E263 HydrophobicContact CD1-CB 4.5Å; Y249-E263 VanDerWaalsContact CD1-OE2 3.25Å; Y249-E263 WeakPolarHBondContact CD1-OE2 3.41Å; Y249-E263 PolarHBondContact O-N 3.33Å; Y249-E263 VanDerWaalsContact O-N 3.11Å
250I75.1Confident81.2Confident52 Ų5278.5 Ų78.527%0.26739%0.393SS..EExtended strand (participates in β ladder)trans-132.6113.7-174.6-56.7-176.1000110.4Q247 V260Q247-I250 HydrophobicContact CB-CB 4.41Å; Q247-I250 PolarHBondContact O-N 2.86Å; I250-V260 HydrophobicContact CG2-CG1 3.98Å; I250-V260 HydrophobicContact CG2-CG2 4.23Å
251W75.4Confident81Confident142 Ų14279.5 Ų79.554%0.53840%0.4SS..EExtended strand (participates in β ladder)trans-110115.1-178.2-47.292.1000109.5V246 V261V246-W251 HydrophobicContact CG1-CZ3 4.29Å; W251-V261 PolarHBondContact N-O 3.3Å; W251-V261 PolarHBondContact O-N 3.45Å
252H82.9Confident80.8Confident39 Ų3975.9 Ų75.918%0.18139%0.387CS..EExtended strand (participates in β ladder)trans-86.5133.3175-64.6-101.7000110.3N228 C244 N245 C257 S259 V260N228-H252 PolarHBondContact O-CE1 3.38Å; C244-H252 HydrophobicContact CB-CB 3.56Å; N245-H252 PolarHBondContact O-CD2 3.04Å; N245-H252 PolarHBondContact O-NE2 3.49Å; H252-C257 HydrophobicContact CB-CB 4.24Å; H252-S259 CarbonylContact C-O 3.54Å; H252-S259 VanDerWaalsContact CA-O 3.31Å; H252-S259 WeakPolarHBondContact CA-O 3.5Å; H252-V260 VanDerWaalsContact CE1-CG2 3.5Å; H252-V260 WeakPolarHBondContact CE1-CG2 3.25Å
253K76.8Confident80.5Confident145 Ų14579.7 Ų79.763%0.6340%0.404SS*.EExtended strand (participates in β ladder)trans-122.8139.3-179.4172.8-179.8179.4-178.20111.2E258 S259K253-E258 PolarHBondContact O-N 3.04Å; K253-S259 WeakPolarHBondContact CB-OG 3.26Å; K253-S259 PolarHBondContact N-O 2.94Å; K253-S259 PolarHBondContact O-N 3.21Å; K253-S259 PolarHBondContact O-OG 2.83Å
254G80.3Confident80.3Confident37 Ų3779.4 Ų79.438%0.38141%0.408SS..SBendtrans103.7147.1-174.500000111.9R256 C257G254-R256 PolarHBondContact O-N 3.01Å; G254-C257 PolarHBondContact O-N 3.11Å
255A79.9Confident80.2Confident76 Ų7682.7 Ų82.763%0.62842%0.42SS*.THydrogen-bonded Turntrans-62.7-13.2-176.200000114.3C242C242-A255 WeakPolarHBondContact CB-O 3.37Å
256R84.9Confident80.5Confident74 Ų7483 Ų8328%0.27942%0.424SS..THydrogen-bonded Turntrans-115.213.3177.7-66.3173.760.1-138.8-0.3113.5N224 Y225 L227 G254 E258N224-R256 PolarHBondContact O-NH2 2.84Å; N224-R256 VanDerWaalsContact O-NH2 3.11Å; Y225-R256 HydrophobicContact CE1-CG 3.98Å; Y225-R256 HydrophobicContact CE2-CG 4.05Å; Y225-R256 VanDerWaalsContact O-CZ 3.29Å; Y225-R256 PolarHBondContact O-NE 3.49Å; Y225-R256 PolarHBondContact O-NH2 2.89Å; L227-R256 PolarHBondContact N-O 2.79Å; G254-R256 PolarHBondContact O-N 3.01Å; R256-E258 VanDerWaalsContact C-N 3.26Å; R256-E258 HydrophobicContact CB-CG 4.03Å; R256-E258 IonicContact CZ-OE1 3.75Å; R256-E258 IonicContact NE-OE1 3.93Å; R256-E258 IonicContact NH1-OE1 3.03Å; R256-E258 PolarHBondContact NH1-OE1 3.11Å; R256-E258 PolarHBondContact O-N 2.96Å
257C86.9Confident81Confident0 Ų082.9 Ų82.90%042%0.418CS..  trans62.229.3-177.7-410000113.9L227 N228 C244 H252 G254 S259L227-C257 WeakPolarHBondContact O-CB 3.31Å; N228-C257 PolarHBondContact ND2-O 2.79Å; C244-C257 WeakPolarHBondContact CA-SG 3.02Å; C244-C257 HydrophobicContact CB-CB 3.89Å; C244-C257 WeakPolarHBondContact CB-SG 3.01Å; C244-C257 WeakPolarHBondContact SG-CA 3.26Å; C244-C257 WeakPolarHBondContact SG-CB 3.36Å; C244-C257 CovalentContact SG-SG 2.03Å; C244-C257 PolarHBondContact SG-SG 3.28Å; H252-C257 HydrophobicContact CB-CB 4.24Å; G254-C257 PolarHBondContact O-N 3.11Å; C257-S259 VanDerWaalsContact C-N 3.35Å; C257-S259 PolarHBondContact O-N 3.14Å
258E85.3Confident81.9Confident99 Ų9982.5 Ų82.546%0.46343%0.426SS..  trans-59.8-36.4-170.3-77.8154.5176.500114.4L227 N228 K253 R256L227-E258 HydrophobicContact CD1-CB 4.4Å; L227-E258 HydrophobicContact CD1-CG 3.77Å; N228-E258 PolarHBondContact ND2-O 2.98Å; N228-E258 VanDerWaalsContact ND2-O 3.14Å; K253-E258 PolarHBondContact O-N 3.04Å; R256-E258 VanDerWaalsContact C-N 3.26Å; R256-E258 HydrophobicContact CB-CG 4.03Å; R256-E258 IonicContact CZ-OE1 3.75Å; R256-E258 IonicContact NE-OE1 3.93Å; R256-E258 IonicContact NH1-OE1 3.03Å; R256-E258 PolarHBondContact NH1-OE1 3.11Å; R256-E258 PolarHBondContact O-N 2.96Å
259S78.8Confident83.1Confident51 Ų5181.9 Ų81.936%0.35742%0.422SS..EExtended strand (participates in β ladder)trans-119.3142.3-177.456.70000112.2H252 K253 C257H252-S259 CarbonylContact C-O 3.54Å; H252-S259 VanDerWaalsContact CA-O 3.31Å; H252-S259 WeakPolarHBondContact CA-O 3.5Å; K253-S259 WeakPolarHBondContact CB-OG 3.26Å; K253-S259 PolarHBondContact N-O 2.94Å; K253-S259 PolarHBondContact O-N 3.21Å; K253-S259 PolarHBondContact O-OG 2.83Å; C257-S259 VanDerWaalsContact C-N 3.35Å; C257-S259 PolarHBondContact O-N 3.14Å
260V80.3Confident84.3Confident52 Ų5277.5 Ų77.532%0.31542%0.415SS..EExtended strand (participates in β ladder)trans-106.1128.9170.3155.20000108.5N228 I250 H252 T262N228-V260 HydrophobicContact CB-CG2 4.26Å; I250-V260 HydrophobicContact CG2-CG1 3.98Å; I250-V260 HydrophobicContact CG2-CG2 4.23Å; H252-V260 VanDerWaalsContact CE1-CG2 3.5Å; H252-V260 WeakPolarHBondContact CE1-CG2 3.25Å; V260-T262 HydrophobicContact CG1-CG2 3.79Å
261V81.4Confident85.3Confident50 Ų5079.1 Ų79.130%0.30343%0.427SS..EExtended strand (participates in β ladder)trans-110.5120.3165.5-178.80000107.5W251 V266W251-V261 PolarHBondContact N-O 3.3Å; W251-V261 PolarHBondContact O-N 3.45Å; V261-V266 HydrophobicContact CG1-CG2 3.87Å
262T82.9Confident86.4Confident32 Ų3274.3 Ų74.320%0.19642%0.421CS..EExtended strand (participates in β ladder)trans-94.7149.9175.365.60000110.8V260 F264 Q265 V266V260-T262 HydrophobicContact CG1-CG2 3.79Å; T262-F264 PolarHBondContact O-N 3.23Å; T262-Q265 PolarHBondContact O-N 3.04Å; T262-Q265 VanDerWaalsContact O-N 3.11Å; T262-Q265 WeakPolarHBondContact OG1-CG 3.42Å; T262-Q265 PolarHBondContact OG1-N 3.4Å; T262-V266 PolarHBondContact O-N 3.11Å
263E83.9Confident87.1Confident85 Ų8576.3 Ų76.340%0.39744%0.436SS..Hα-helixtrans-53.1-42.2170.9-174.1-170.5-141.300111.3Y249 Q265 V266 M267Y249-E263 HydrophobicContact CD1-CB 4.5Å; Y249-E263 VanDerWaalsContact CD1-OE2 3.25Å; Y249-E263 WeakPolarHBondContact CD1-OE2 3.41Å; Y249-E263 PolarHBondContact O-N 3.33Å; Y249-E263 VanDerWaalsContact O-N 3.11Å; E263-Q265 VanDerWaalsContact C-N 3.28Å; E263-Q265 PolarHBondContact O-N 3.28Å; E263-V266 PolarHBondContact O-N 3.3Å; E263-M267 HydrophobicContact CG-CG 3.96Å; E263-M267 WeakPolarHBondContact O-CG 3.39Å; E263-M267 PolarHBondContact O-N 3.48Å
264F84.1Confident88.1Confident148 Ų14872.1 Ų72.165%0.64943%0.426SS*.Hα-helixtrans-53.8-39.6177-63.3-74.3000113.6T262 C268T262-F264 PolarHBondContact O-N 3.23Å; F264-C268 VanDerWaalsContact O-CB 3.27Å; F264-C268 WeakPolarHBondContact O-CB 3.29Å; F264-C268 PolarHBondContact O-N 3.09Å; F264-C268 PolarHBondContact O-SG 2.73Å
265Q86.8Confident88.9Confident99 Ų9972.5 Ų72.546%0.46343%0.425SS..Hα-helixtrans-66.1-44.2176.3-73.8165.4-16.500111.4T262 E263 C268 L269T262-Q265 PolarHBondContact O-N 3.04Å; T262-Q265 VanDerWaalsContact O-N 3.11Å; T262-Q265 WeakPolarHBondContact OG1-CG 3.42Å; T262-Q265 PolarHBondContact OG1-N 3.4Å; E263-Q265 VanDerWaalsContact C-N 3.28Å; E263-Q265 PolarHBondContact O-N 3.28Å; Q265-C268 PolarHBondContact O-N 3.28Å; Q265-L269 VanDerWaalsContact O-CG 3.32Å; Q265-L269 WeakPolarHBondContact O-CG 3.35Å; Q265-L269 PolarHBondContact O-N 2.92Å
266V89.1Confident89.7Confident78 Ų7873.7 Ų73.747%0.47342%0.42SS..Hα-helixtrans-64.4-43.4178.4-177.80000110.7V261 T262 E263 L269 A270V261-V266 HydrophobicContact CG1-CG2 3.87Å; T262-V266 PolarHBondContact O-N 3.11Å; E263-V266 PolarHBondContact O-N 3.3Å; V266-L269 PolarHBondContact O-N 3.39Å; V266-A270 WeakPolarHBondContact O-CB 3.32Å; V266-A270 PolarHBondContact O-N 3.08Å
267M90.2Very high90.4Very high103 Ų10374 Ų7451%0.50743%0.43SS..Hα-helixtrans-66-43177.2-69.7-63.2-77.800112.1E263 L269 A270 V271E263-M267 HydrophobicContact CG-CG 3.96Å; E263-M267 WeakPolarHBondContact O-CG 3.39Å; E263-M267 PolarHBondContact O-N 3.48Å; M267-L269 VanDerWaalsContact C-N 3.31Å; M267-L269 PolarHBondContact O-N 3.36Å; M267-A270 PolarHBondContact O-N 2.85Å; M267-V271 VanDerWaalsContact O-CB 3.31Å; M267-V271 WeakPolarHBondContact O-CB 3.3Å; M267-V271 VanDerWaalsContact O-CG2 3.3Å; M267-V271 WeakPolarHBondContact O-CG2 3.31Å; M267-V271 PolarHBondContact O-N 3Å
268C94.3Very high90.9Very high94 Ų9479.5 Ų79.564%0.63546%0.459SS*.Hα-helixtrans-61.1-38.2173.4-77.20000112.5F264 Q265 G272F264-C268 VanDerWaalsContact O-CB 3.27Å; F264-C268 WeakPolarHBondContact O-CB 3.29Å; F264-C268 PolarHBondContact O-N 3.09Å; F264-C268 PolarHBondContact O-SG 2.73Å; Q265-C268 PolarHBondContact O-N 3.28Å; C268-G272 WeakPolarHBondContact O-CA 3.33Å; C268-G272 PolarHBondContact O-N 2.68Å
269L94.6Very high91.4Very high121 Ų12179.9 Ų79.963%0.63446%0.463SS*.Hα-helixtrans-69.1-46175.2-72170000111.9Q265 V266 M267 T273Q265-L269 VanDerWaalsContact O-CG 3.32Å; Q265-L269 WeakPolarHBondContact O-CG 3.35Å; Q265-L269 PolarHBondContact O-N 2.92Å; V266-L269 PolarHBondContact O-N 3.39Å; M267-L269 VanDerWaalsContact C-N 3.31Å; M267-L269 PolarHBondContact O-N 3.36Å; L269-T273 WeakPolarHBondContact O-CB 3.27Å; L269-T273 VanDerWaalsContact O-CG2 3.29Å; L269-T273 WeakPolarHBondContact O-CG2 3.27Å; L269-T273 PolarHBondContact O-N 2.88Å; L269-T273 PolarHBondContact O-OG1 2.87Å
270A95.9Very high92.3Very high50 Ų5082 Ų8241%0.41347%0.47SS..Hα-helixtrans-65.7-46.4179.500000112.7V266 M267 T273 S274V266-A270 WeakPolarHBondContact O-CB 3.32Å; V266-A270 PolarHBondContact O-N 3.08Å; M267-A270 PolarHBondContact O-N 2.85Å; A270-T273 PolarHBondContact O-OG1 3.45Å; A270-S274 WeakPolarHBondContact O-CB 3.44Å; A270-S274 PolarHBondContact O-N 2.89Å; A270-S274 VanDerWaalsContact O-N 3.09Å; A270-S274 PolarHBondContact O-OG 3.42Å
271V97.1Very high93.1Very high87 Ų8783.6 Ų83.653%0.52748%0.477SS..Hα-helixtrans-70.3-41.5177.5177.30000110.9M267 S274 A275M267-V271 VanDerWaalsContact O-CB 3.31Å; M267-V271 WeakPolarHBondContact O-CB 3.3Å; M267-V271 VanDerWaalsContact O-CG2 3.3Å; M267-V271 WeakPolarHBondContact O-CG2 3.31Å; M267-V271 PolarHBondContact O-N 3Å; V271-S274 WeakPolarHBondContact CA-OG 3.28Å; V271-S274 PolarHBondContact O-OG 3.25Å; V271-S274 VanDerWaalsContact O-OG 3.08Å; V271-A275 VanDerWaalsContact O-CB 3.23Å; V271-A275 WeakPolarHBondContact O-CB 3.41Å; V271-A275 PolarHBondContact O-N 3.23Å
272G97.3Very high93.9Very high40 Ų4087 Ų8741%0.41249%0.488SS..Hα-helixtrans-64.2-45.4178.500000113.2C268 L276C268-G272 WeakPolarHBondContact O-CA 3.33Å; C268-G272 PolarHBondContact O-N 2.68Å; G272-L276 WeakPolarHBondContact O-CB 3.35Å; G272-L276 PolarHBondContact O-N 2.93Å
273T97.3Very high94.6Very high81 Ų8190.9 Ų90.950%0.49751%0.505SS..Hα-helixtrans-68.6-42.4177.552.50000112.3L269 A270 L276 V277L269-T273 WeakPolarHBondContact O-CB 3.27Å; L269-T273 VanDerWaalsContact O-CG2 3.29Å; L269-T273 WeakPolarHBondContact O-CG2 3.27Å; L269-T273 PolarHBondContact O-N 2.88Å; L269-T273 PolarHBondContact O-OG1 2.87Å; A270-T273 PolarHBondContact O-OG1 3.45Å; T273-L276 PolarHBondContact O-N 3.26Å; T273-V277 WeakPolarHBondContact O-CG2 3.37Å; T273-V277 PolarHBondContact O-N 2.87Å
274S97.8Very high95.2Very high58 Ų5890.9 Ų90.941%0.40651%0.506SS..Hα-helixtrans-64.3-41.2176.154.90000112.4A270 V271 V277 L278A270-S274 WeakPolarHBondContact O-CB 3.44Å; A270-S274 PolarHBondContact O-N 2.89Å; A270-S274 VanDerWaalsContact O-N 3.09Å; A270-S274 PolarHBondContact O-OG 3.42Å; V271-S274 WeakPolarHBondContact CA-OG 3.28Å; V271-S274 PolarHBondContact O-OG 3.25Å; V271-S274 VanDerWaalsContact O-OG 3.08Å; S274-V277 PolarHBondContact O-N 3.34Å; S274-L278 VanDerWaalsContact O-CG 3.3Å; S274-L278 WeakPolarHBondContact O-CG 3.34Å; S274-L278 PolarHBondContact O-N 3.33Å
275A97.9Very high95.8Very high44 Ų4489 Ų8936%0.36450%0.502SS..Hα-helixtrans-61.8-43.6173.200000112.3V271 L278 L279V271-A275 VanDerWaalsContact O-CB 3.23Å; V271-A275 WeakPolarHBondContact O-CB 3.41Å; V271-A275 PolarHBondContact O-N 3.23Å; A275-L278 PolarHBondContact O-N 3.37Å; A275-L279 WeakPolarHBondContact O-CG 3.3Å; A275-L279 PolarHBondContact O-N 3.31Å
276L97.8Very high96.2Very high102 Ų10286.1 Ų86.153%0.53449%0.491SS..Hα-helixtrans-61.5-44.7176.1-179.662.1000111.8G272 T273 L278 L279 L280G272-L276 WeakPolarHBondContact O-CB 3.35Å; G272-L276 PolarHBondContact O-N 2.93Å; T273-L276 PolarHBondContact O-N 3.26Å; L276-L278 PolarHBondContact O-N 2.92Å; L276-L279 PolarHBondContact O-N 2.99Å; L276-L280 HydrophobicContact CD1-CD1 4.38Å; L276-L280 HydrophobicContact CD1-CG 4.42Å; L276-L280 HydrophobicContact CG-CD1 4.15Å; L276-L280 WeakPolarHBondContact O-CB 3.31Å; L276-L280 WeakPolarHBondContact O-CG 3.22Å; L276-L280 PolarHBondContact O-N 2.8Å
277V97.9Very high96.5Very high79 Ų7986.1 Ų86.148%0.47949%0.494SS..Hα-helixtrans-61.9-43.2176.4169.40000111.1T273 S274 L279 L280 L281T273-V277 WeakPolarHBondContact O-CG2 3.37Å; T273-V277 PolarHBondContact O-N 2.87Å; S274-V277 PolarHBondContact O-N 3.34Å; V277-L279 PolarHBondContact O-N 3.5Å; V277-L280 PolarHBondContact O-N 2.95Å; V277-L281 HydrophobicContact CG1-CD1 3.91Å; V277-L281 HydrophobicContact CG1-CG 4.36Å; V277-L281 WeakPolarHBondContact O-CB 3.3Å; V277-L281 VanDerWaalsContact O-CG 3.28Å; V277-L281 WeakPolarHBondContact O-CG 3.44Å; V277-L281 PolarHBondContact O-N 3.5Å
278L97.3Very high96.7Very high117 Ų11787.4 Ų87.461%0.61350%0.497SS*.Hα-helixtrans-63.6-40.1176.6-71.7170.3000112.5S274 A275 L276 L281 F282S274-L278 VanDerWaalsContact O-CG 3.3Å; S274-L278 WeakPolarHBondContact O-CG 3.34Å; S274-L278 PolarHBondContact O-N 3.33Å; A275-L278 PolarHBondContact O-N 3.37Å; L276-L278 PolarHBondContact O-N 2.92Å; L278-L281 PolarHBondContact O-N 3.21Å; L278-F282 WeakPolarHBondContact O-CB 3.23Å; L278-F282 PolarHBondContact O-N 3.38Å
279L97.5Very high96.7Very high107 Ų10785.8 Ų85.856%0.5649%0.49SS*.Hα-helixtrans-66.1-41.8174.9-71.9172.3000112.1A275 L276 V277 F282 M283A275-L279 WeakPolarHBondContact O-CG 3.3Å; A275-L279 PolarHBondContact O-N 3.31Å; L276-L279 PolarHBondContact O-N 2.99Å; V277-L279 PolarHBondContact O-N 3.5Å; L279-F282 PolarHBondContact O-N 3.43Å; L279-M283 WeakPolarHBondContact O-CG 3.43Å; L279-M283 PolarHBondContact O-N 2.94Å
280L97.4Very high96.7Very high96 Ų9686.8 Ų86.850%0.50349%0.489SS..Hα-helixtrans-63.6-44.9175-71.5171.4000111.5L276 V277 F282 M283 I284L276-L280 HydrophobicContact CD1-CD1 4.38Å; L276-L280 HydrophobicContact CD1-CG 4.42Å; L276-L280 HydrophobicContact CG-CD1 4.15Å; L276-L280 WeakPolarHBondContact O-CB 3.31Å; L276-L280 WeakPolarHBondContact O-CG 3.22Å; L276-L280 PolarHBondContact O-N 2.8Å; V277-L280 PolarHBondContact O-N 2.95Å; L280-F282 VanDerWaalsContact C-N 3.34Å; L280-F282 PolarHBondContact O-N 3.42Å; L280-M283 PolarHBondContact O-N 3.09Å; L280-I284 WeakPolarHBondContact O-CB 3.16Å; L280-I284 WeakPolarHBondContact O-CD1 3.39Å; L280-I284 VanDerWaalsContact O-CG1 3.23Å; L280-I284 WeakPolarHBondContact O-CG1 3.27Å; L280-I284 PolarHBondContact O-N 3.45Å
281L97.3Very high96.6Very high85 Ų8591.6 Ų91.645%0.44550%0.501SS..Hα-helixtrans-60.1-42.4174.2-73.1171.5000111.7V277 L278 I284 I285V277-L281 HydrophobicContact CG1-CD1 3.91Å; V277-L281 HydrophobicContact CG1-CG 4.36Å; V277-L281 WeakPolarHBondContact O-CB 3.3Å; V277-L281 VanDerWaalsContact O-CG 3.28Å; V277-L281 WeakPolarHBondContact O-CG 3.44Å; V277-L281 PolarHBondContact O-N 3.5Å; L278-L281 PolarHBondContact O-N 3.21Å; L281-I284 PolarHBondContact O-N 2.97Å; L281-I285 WeakPolarHBondContact O-CB 3.26Å; L281-I285 WeakPolarHBondContact O-CD1 3.23Å; L281-I285 VanDerWaalsContact O-CG1 3.23Å; L281-I285 WeakPolarHBondContact O-CG1 3.47Å; L281-I285 PolarHBondContact O-N 2.88Å
282F97.7Very high96.2Very high122 Ų12292.8 Ų92.854%0.53550%0.503SS..Hα-helixtrans-62.3-44.7175.1-178.6-100.9000112.1L278 L279 L280 I284 I285 V286L278-F282 WeakPolarHBondContact O-CB 3.23Å; L278-F282 PolarHBondContact O-N 3.38Å; L279-F282 PolarHBondContact O-N 3.43Å; L280-F282 VanDerWaalsContact C-N 3.34Å; L280-F282 PolarHBondContact O-N 3.42Å; F282-I284 VanDerWaalsContact C-N 3.34Å; F282-I284 PolarHBondContact O-N 2.89Å; F282-I285 PolarHBondContact O-N 3.09Å; F282-V286 HydrophobicContact CD1-CG2 4.19Å; F282-V286 HydrophobicContact CE1-CG2 3.77Å; F282-V286 HydrophobicContact CE2-CG2 4.13Å; F282-V286 HydrophobicContact CZ-CG2 3.74Å; F282-V286 WeakPolarHBondContact O-CB 3.42Å; F282-V286 WeakPolarHBondContact O-CG2 3.32Å; F282-V286 PolarHBondContact O-N 3.46Å
283M96.6Very high95.9Very high113 Ų11396.7 Ų96.756%0.55751%0.511SS*.Hα-helixtrans-62.7-40175.5-70.3-62.4169.400112.1L279 L280 V286 C287L279-M283 WeakPolarHBondContact O-CG 3.43Å; L279-M283 PolarHBondContact O-N 2.94Å; L280-M283 PolarHBondContact O-N 3.09Å; M283-V286 PolarHBondContact O-N 3.4Å; M283-C287 VanDerWaalsContact O-CB 3.28Å; M283-C287 WeakPolarHBondContact O-CB 3.5Å; M283-C287 PolarHBondContact O-N 2.99Å; M283-C287 PolarHBondContact O-SG 2.99Å; M283-C287 VanDerWaalsContact O-SG 3.36Å
284I96.8Very high95.6Very high84 Ų8496.2 Ų96.243%0.43151%0.508SS..Hα-helixtrans-61.9-46.5174-71.8164.5000110.7L280 L281 F282 V286 C287 F288L280-I284 WeakPolarHBondContact O-CB 3.16Å; L280-I284 WeakPolarHBondContact O-CD1 3.39Å; L280-I284 VanDerWaalsContact O-CG1 3.23Å; L280-I284 WeakPolarHBondContact O-CG1 3.27Å; L280-I284 PolarHBondContact O-N 3.45Å; L281-I284 PolarHBondContact O-N 2.97Å; F282-I284 VanDerWaalsContact C-N 3.34Å; F282-I284 PolarHBondContact O-N 2.89Å; I284-V286 PolarHBondContact O-N 3.3Å; I284-C287 PolarHBondContact O-N 3.41Å; I284-F288 HydrophobicContact CG2-CD2 3.62Å; I284-F288 HydrophobicContact CG2-CE2 3.37Å; I284-F288 HydrophobicContact CG2-CZ 4.44Å; I284-F288 VanDerWaalsContact O-CD2 3.26Å; I284-F288 WeakPolarHBondContact O-CD2 3.46Å; I284-F288 PolarHBondContact O-N 3.32Å
285I96.6Very high95.2Very high108 Ų10897.8 Ų97.855%0.55451%0.511SS*.Hα-helixtrans-62-43.6176.7-69.8162.7000111.1L281 F282 F288 A289L281-I285 WeakPolarHBondContact O-CB 3.26Å; L281-I285 WeakPolarHBondContact O-CD1 3.23Å; L281-I285 VanDerWaalsContact O-CG1 3.23Å; L281-I285 WeakPolarHBondContact O-CG1 3.47Å; L281-I285 PolarHBondContact O-N 2.88Å; F282-I285 PolarHBondContact O-N 3.09Å; I285-F288 PolarHBondContact O-N 2.87Å; I285-A289 VanDerWaalsContact O-CB 3.29Å; I285-A289 WeakPolarHBondContact O-CB 3.23Å; I285-A289 PolarHBondContact O-N 3.25Å
286V96.6Very high94.8Very high40 Ų40103.1 Ų103.124%0.24253%0.526CS..Hα-helixtrans-66.3-38.3176.6170.10000111.6F282 M283 I284 A289 K290F282-V286 HydrophobicContact CD1-CG2 4.19Å; F282-V286 HydrophobicContact CE1-CG2 3.77Å; F282-V286 HydrophobicContact CE2-CG2 4.13Å; F282-V286 HydrophobicContact CZ-CG2 3.74Å; F282-V286 WeakPolarHBondContact O-CB 3.42Å; F282-V286 WeakPolarHBondContact O-CG2 3.32Å; F282-V286 PolarHBondContact O-N 3.46Å; M283-V286 PolarHBondContact O-N 3.4Å; I284-V286 PolarHBondContact O-N 3.3Å; V286-A289 PolarHBondContact O-N 3.02Å; V286-K290 HydrophobicContact CG1-CD 4.14Å; V286-K290 WeakPolarHBondContact O-CB 3.46Å; V286-K290 WeakPolarHBondContact O-CG 3.41Å; V286-K290 PolarHBondContact O-N 2.95Å
287C95Very high94.3Very high77 Ų77100.5 Ų100.552%0.5251%0.514SS..Hα-helixtrans-64.3-45.4173.5-81.20000111.8M283 I284 K290 K291M283-C287 VanDerWaalsContact O-CB 3.28Å; M283-C287 WeakPolarHBondContact O-CB 3.5Å; M283-C287 PolarHBondContact O-N 2.99Å; M283-C287 PolarHBondContact O-SG 2.99Å; M283-C287 VanDerWaalsContact O-SG 3.36Å; I284-C287 PolarHBondContact O-N 3.41Å; C287-K290 PolarHBondContact O-N 3.11Å; C287-K291 WeakPolarHBondContact O-CB 3.37Å; C287-K291 VanDerWaalsContact O-CG 3.29Å; C287-K291 WeakPolarHBondContact O-CG 3.44Å; C287-K291 PolarHBondContact O-N 3.26Å
288F94.8Very high93.9Very high131 Ų131101 Ų10158%0.57551%0.512SS*.Hα-helixtrans-62.6-45.8172.8-76.4-53000111.6I284 I285 K290 K291 L292I284-F288 HydrophobicContact CG2-CD2 3.62Å; I284-F288 HydrophobicContact CG2-CE2 3.37Å; I284-F288 HydrophobicContact CG2-CZ 4.44Å; I284-F288 VanDerWaalsContact O-CD2 3.26Å; I284-F288 WeakPolarHBondContact O-CD2 3.46Å; I284-F288 PolarHBondContact O-N 3.32Å; I285-F288 PolarHBondContact O-N 2.87Å; F288-K290 VanDerWaalsContact C-N 3.34Å; F288-K290 PolarHBondContact O-N 3.49Å; F288-K291 PolarHBondContact O-N 2.89Å; F288-L292 WeakPolarHBondContact O-CB 3.38Å; F288-L292 WeakPolarHBondContact O-CG 3.18Å; F288-L292 PolarHBondContact O-N 3.24Å
289A94.3Very high93.2Very high59 Ų5999.4 Ų99.449%0.48850%0.503SS..Hα-helixtrans-59-43.6177.100000112I285 V286 H293I285-A289 VanDerWaalsContact O-CB 3.29Å; I285-A289 WeakPolarHBondContact O-CB 3.23Å; I285-A289 PolarHBondContact O-N 3.25Å; V286-A289 PolarHBondContact O-N 3.02Å; A289-H293 VanDerWaalsContact O-CB 3.24Å; A289-H293 WeakPolarHBondContact O-CB 3.18Å; A289-H293 PolarHBondContact O-N 3.27Å
290K94.9Very high92.5Very high142 Ų142101 Ų10162%0.61751%0.506SS*.Hα-helixtrans-64.5-48.7174.8-77.1176.3176.7174.90112V286 C287 F288 H293 V294V286-K290 HydrophobicContact CG1-CD 4.14Å; V286-K290 WeakPolarHBondContact O-CB 3.46Å; V286-K290 WeakPolarHBondContact O-CG 3.41Å; V286-K290 PolarHBondContact O-N 2.95Å; C287-K290 PolarHBondContact O-N 3.11Å; F288-K290 VanDerWaalsContact C-N 3.34Å; F288-K290 PolarHBondContact O-N 3.49Å; K290-H293 PolarHBondContact O-N 3.34Å; K290-V294 WeakPolarHBondContact O-CG2 3.35Å; K290-V294 PolarHBondContact O-N 2.87Å
291K92.8Very high91.8Very high152 Ų152103.3 Ų103.366%0.66151%0.512SS*.Hα-helixtrans-64-43.8178.8-70.3-74.4-175.41750111.8C287 F288 H293 V294 L295C287-K291 WeakPolarHBondContact O-CB 3.37Å; C287-K291 VanDerWaalsContact O-CG 3.29Å; C287-K291 WeakPolarHBondContact O-CG 3.44Å; C287-K291 PolarHBondContact O-N 3.26Å; F288-K291 PolarHBondContact O-N 2.89Å; K291-H293 VanDerWaalsContact C-N 3.34Å; K291-H293 PolarHBondContact O-N 2.9Å; K291-V294 PolarHBondContact O-N 3.46Å; K291-L295 WeakPolarHBondContact O-CB 3.29Å; K291-L295 VanDerWaalsContact O-CG 3.28Å; K291-L295 WeakPolarHBondContact O-CG 3.36Å; K291-L295 PolarHBondContact O-N 2.86Å
292L88.9Confident90.7Very high111 Ų111104.7 Ų104.758%0.58152%0.519SS*.Hα-helixtrans-62.5-39.1173.6-71.5170.6000111.6F288 K296F288-L292 WeakPolarHBondContact O-CB 3.38Å; F288-L292 WeakPolarHBondContact O-CG 3.18Å; F288-L292 PolarHBondContact O-N 3.24Å; L292-K296 WeakPolarHBondContact O-CB 3.49Å; L292-K296 PolarHBondContact O-N 3.48Å
293H89.9Confident89.5Confident123 Ų123107.7 Ų107.757%0.56953%0.527SS*.Hα-helixtrans-65.3-45.5175.3-171.2-95.2000111.7A289 K290 K291 K296 T297A289-H293 VanDerWaalsContact O-CB 3.24Å; A289-H293 WeakPolarHBondContact O-CB 3.18Å; A289-H293 PolarHBondContact O-N 3.27Å; K290-H293 PolarHBondContact O-N 3.34Å; K291-H293 VanDerWaalsContact C-N 3.34Å; K291-H293 PolarHBondContact O-N 2.9Å; H293-K296 PolarHBondContact O-N 2.93Å; H293-T297 WeakPolarHBondContact O-CG2 3.28Å; H293-T297 PolarHBondContact O-N 3.31Å
294V92.8Very high88.4Confident71 Ų71109.6 Ų109.643%0.4353%0.532SS..Hα-helixtrans-56.7-56.3173.7172.10000110.3K290 K291 K296 T297 E298K290-V294 WeakPolarHBondContact O-CG2 3.35Å; K290-V294 PolarHBondContact O-N 2.87Å; K291-V294 PolarHBondContact O-N 3.46Å; V294-K296 VanDerWaalsContact C-N 3.26Å; V294-K296 PolarHBondContact O-N 2.92Å; V294-T297 PolarHBondContact O-N 2.96Å; V294-T297 PolarHBondContact O-OG1 3.27Å; V294-E298 HydrophobicContact CG1-CG 4.45Å; V294-E298 WeakPolarHBondContact O-CG 3.06Å; V294-E298 PolarHBondContact O-N 3.45Å
295L87.7Confident86.9Confident91 Ų91115.6 Ų115.648%0.47655%0.549SS..Hα-helixtrans-55.9-37.4177.8-72.1167.3000112.8K291 N299K291-L295 WeakPolarHBondContact O-CB 3.29Å; K291-L295 VanDerWaalsContact O-CG 3.28Å; K291-L295 WeakPolarHBondContact O-CG 3.36Å; K291-L295 PolarHBondContact O-N 2.86Å; L295-N299 VanDerWaalsContact O-CB 3.3Å; L295-N299 WeakPolarHBondContact O-CB 3.29Å; L295-N299 PolarHBondContact O-N 2.92Å; L295-N299 PolarHBondContact O-ND2 3.25Å
296K89.2Confident85.4Confident155 Ų155114.4 Ų114.467%0.67455%0.551SS**Hα-helixtrans-70-38176.2-172.3172.8-174.3174.10111.8L292 H293 V294 K300L292-K296 WeakPolarHBondContact O-CB 3.49Å; L292-K296 PolarHBondContact O-N 3.48Å; H293-K296 PolarHBondContact O-N 2.93Å; V294-K296 VanDerWaalsContact C-N 3.26Å; V294-K296 PolarHBondContact O-N 2.92Å; K296-K300 WeakPolarHBondContact O-CB 3.39Å; K296-K300 PolarHBondContact O-N 2.97Å
297T88.4Confident83.6Confident48 Ų48121.5 Ų121.529%0.29458%0.578SS.*Hα-helixtrans-69.1-37.9172.964.60000112.2H293 V294 K300 K301H293-T297 WeakPolarHBondContact O-CG2 3.28Å; H293-T297 PolarHBondContact O-N 3.31Å; V294-T297 PolarHBondContact O-N 2.96Å; V294-T297 PolarHBondContact O-OG1 3.27Å; T297-K300 PolarHBondContact O-N 3.08Å; T297-K301 VanDerWaalsContact O-CG 3.32Å; T297-K301 WeakPolarHBondContact O-CG 3.3Å; T297-K301 PolarHBondContact O-N 3.32Å
298E88.8Confident81.3Confident90 Ų90127.8 Ų127.842%0.42159%0.593SS.*Hα-helixtrans-68.6-46.7176.8-70.1173.8159.200111.6V294 K300 K301 L302V294-E298 HydrophobicContact CG1-CG 4.45Å; V294-E298 WeakPolarHBondContact O-CG 3.06Å; V294-E298 PolarHBondContact O-N 3.45Å; E298-K300 VanDerWaalsContact C-N 3.27Å; E298-K300 PolarHBondContact O-N 3.25Å; E298-K301 WeakPolarHBondContact O-CA 3.28Å; E298-K301 WeakPolarHBondContact O-CB 3.39Å; E298-K301 PolarHBondContact O-N 3.3Å; E298-K301 VanDerWaalsContact O-N 3.08Å; E298-L302 WeakPolarHBondContact O-CG 3.36Å; E298-L302 PolarHBondContact O-N 3.09Å
299N83.8Confident79Confident82 Ų82132 Ų13244%0.43961%0.605SS.*Hα-helixtrans-59.5-37.5171.3-85.8-91.3000112L295 L302 R303L295-N299 VanDerWaalsContact O-CB 3.3Å; L295-N299 WeakPolarHBondContact O-CB 3.29Å; L295-N299 PolarHBondContact O-N 2.92Å; L295-N299 PolarHBondContact O-ND2 3.25Å; N299-L302 PolarHBondContact O-N 2.76Å; N299-R303 WeakPolarHBondContact O-CB 3.37Å; N299-R303 WeakPolarHBondContact O-CG 3.45Å; N299-R303 PolarHBondContact O-N 3.39Å
300K82.5Confident76.6Confident142 Ų142133.9 Ų133.962%0.61761%0.612SS**Hα-helixtrans-68-34.1174.5-167.6172.4-175.6177.70112.2K296 T297 E298 K304K296-K300 WeakPolarHBondContact O-CB 3.39Å; K296-K300 PolarHBondContact O-N 2.97Å; T297-K300 PolarHBondContact O-N 3.08Å; E298-K300 VanDerWaalsContact C-N 3.27Å; E298-K300 PolarHBondContact O-N 3.25Å; K300-K304 WeakPolarHBondContact O-CB 3.41Å; K300-K304 WeakPolarHBondContact O-CG 3.24Å; K300-K304 PolarHBondContact O-N 3.33Å; K300-K304 VanDerWaalsContact O-N 3.12Å
301K81.6Confident74.4Confident143 Ų143133.4 Ų133.462%0.62263%0.626SS**Hα-helixtrans-66.7-47.6170.9-72.1166.9-178.4174.70111.2T297 E298 K304 R305T297-K301 VanDerWaalsContact O-CG 3.32Å; T297-K301 WeakPolarHBondContact O-CG 3.3Å; T297-K301 PolarHBondContact O-N 3.32Å; E298-K301 WeakPolarHBondContact O-CA 3.28Å; E298-K301 WeakPolarHBondContact O-CB 3.39Å; E298-K301 PolarHBondContact O-N 3.3Å; E298-K301 VanDerWaalsContact O-N 3.08Å; K301-K304 WeakPolarHBondContact O-CB 3.4Å; K301-K304 PolarHBondContact O-N 2.85Å; K301-R305 PolarHBondContact O-N 3.38Å
302L74.9Confident72.5Confident114 Ų114130.3 Ų130.360%0.59762%0.624SS**Hα-helixtrans-63.5-46.7178.7-68.8175.1000112.2E298 N299 K304 R305 S306E298-L302 WeakPolarHBondContact O-CG 3.36Å; E298-L302 PolarHBondContact O-N 3.09Å; N299-L302 PolarHBondContact O-N 2.76Å; L302-K304 VanDerWaalsContact C-N 3.29Å; L302-K304 PolarHBondContact O-N 3.3Å; L302-R305 PolarHBondContact O-N 3.29Å; L302-S306 PolarHBondContact O-N 3.5Å; L302-S306 PolarHBondContact O-OG 3.46Å
303R73Confident70.4Confident186 Ų186133.3 Ų133.370%0.70264%0.635SS**Hα-helixtrans-61.6-33.7174.4-72.6-178.1179.6-161.6-1112.6N299 S306 K307N299-R303 WeakPolarHBondContact O-CB 3.37Å; N299-R303 WeakPolarHBondContact O-CG 3.45Å; N299-R303 PolarHBondContact O-N 3.39Å; R303-S306 PolarHBondContact O-OG 3.32Å; R303-K307 WeakPolarHBondContact O-CB 3.34Å; R303-K307 PolarHBondContact O-N 3.44Å
304K73.7Confident68.4Low152 Ų152136.5 Ų136.566%0.66165%0.65SS**Hα-helixtrans-67.5-40170.8-82.5-175.6171.2-162.60112.3K300 K301 L302K300-K304 WeakPolarHBondContact O-CB 3.41Å; K300-K304 WeakPolarHBondContact O-CG 3.24Å; K300-K304 PolarHBondContact O-N 3.33Å; K300-K304 VanDerWaalsContact O-N 3.12Å; K301-K304 WeakPolarHBondContact O-CB 3.4Å; K301-K304 PolarHBondContact O-N 2.85Å; L302-K304 VanDerWaalsContact C-N 3.29Å; L302-K304 PolarHBondContact O-N 3.3Å
305R65Low65.9Low210 Ų210139.9 Ų139.979%0.79266%0.661SS**Hα-helixtrans-70.6-37.7-179.7-160.5174.2-171.6170.92.5112.4K301 L302 Y308K301-R305 PolarHBondContact O-N 3.38Å; L302-R305 PolarHBondContact O-N 3.29Å; R305-Y308 PolarHBondContact O-N 2.8Å
306S64.3Low64Low84 Ų84142 Ų14259%0.58767%0.673SS**Hα-helixtrans-71.4-33.3174.864.50000112.9L302 R303 Y308 R309L302-S306 PolarHBondContact O-N 3.5Å; L302-S306 PolarHBondContact O-OG 3.46Å; R303-S306 PolarHBondContact O-OG 3.32Å; S306-Y308 PolarHBondContact O-N 2.84Å; S306-Y308 VanDerWaalsContact O-N 3.1Å; S306-R309 PolarHBondContact O-N 2.86Å
307K58.8Low61.8Low188 Ų188140.5 Ų140.582%0.81767%0.672SS**THydrogen-bonded Turntrans-73.88.9174.2-149.9172.5-173.8-179.90114R303R303-K307 WeakPolarHBondContact O-CB 3.34Å; R303-K307 PolarHBondContact O-N 3.44Å
308Y48.2Very low60Low210 Ų210144.8 Ų144.882%0.82469%0.693SS**THydrogen-bonded Turntrans-112.619.5170.4-137.8-89.1000112.6R305 S306R305-Y308 PolarHBondContact O-N 2.8Å; S306-Y308 PolarHBondContact O-N 2.84Å; S306-Y308 VanDerWaalsContact O-N 3.1Å
309R45.1Very low57.8Low220 Ų220150 Ų15083%0.8371%0.714SS**SBendtrans-67128.7163.1-172.6178.3-176.5108.91108.5S306S306-R309 PolarHBondContact O-N 2.86Å
310P43.6Very low56.3Low97 Ų97151.4 Ų151.463%0.6373%0.731SS**  trans-59144.2179.7-25.935.3000113.1S312P310-S312 VanDerWaalsContact C-N 3.31Å; P310-S312 PolarHBondContact O-N 3.4Å
311S48.8Very low54.7Low133 Ų133151.9 Ų151.993%0.9374%0.74SS**  trans-90.465.2173.1-177.60000110.7
312S53.2Low53Low86 Ų86150 Ų15060%0.60174%0.744SS**  trans-153.7140173.157.40000108.2P310P310-S312 VanDerWaalsContact C-N 3.31Å; P310-S312 PolarHBondContact O-N 3.4Å
313E44.9Very low51.9Low174 Ų174151.5 Ų151.581%0.81376%0.758SS**  cis-113.3135.98.6-72133.18000113.3
314Q47.8Very low50.9Low190 Ų190150.6 Ų150.689%0.88877%0.766SS**  trans-11154.8150.5-167.6179.1-12.600108.7
315H41.6Very low49.3Very low143 Ų143147.7 Ų147.766%0.66277%0.77SS**  trans-102.799.1164.6-169.57.7000107D317H315-D317 IonicContact CE1-OD2 3.89Å; H315-D317 PolarHBondContact O-N 2.87Å
316N46.8Very low48.1Very low136 Ų136146.8 Ų146.873%0.72778%0.775SS**  trans-65.9122.7152.9-69.6-84.6000105.6
317D44.2Very low46.7Very low123 Ų123146.3 Ų146.366%0.65878%0.783SS**  trans-151.7148.7130.8-117-44.5000114.3H315 F319H315-D317 IonicContact CE1-OD2 3.89Å; H315-D317 PolarHBondContact O-N 2.87Å; D317-F319 PolarHBondContact O-N 2.82Å
318N50.2Low45.5Very low138 Ų138143.3 Ų143.374%0.73879%0.786SS**  trans-54.1116.3-171.5-63.2-94.7000114
319F42.4Very low45.2Very low198 Ų198142.3 Ų142.387%0.86879%0.788SS**  trans-142.481.5153.5-131-83.4000113.1D317 L321D317-F319 PolarHBondContact O-N 2.82Å; F319-L321 PolarHBondContact O-N 3.21Å
320S51.4Low45.7Very low113 Ų113136.8 Ų136.879%0.7978%0.781SS**  trans-69120.3164.3-55.50000109.7
321L49.5Very low45.1Very low152 Ų152139.5 Ų139.580%0.79679%0.79SS**  trans-161.9117.4143.7-110.1172.8000112.9F319F319-L321 PolarHBondContact O-N 3.21Å
322S46.4Very low44.5Very low103 Ų103138.7 Ų138.772%0.7278%0.779SS**  trans-40.9136.8178.6-45.50000118.3
323T51.1Low44Very low145 Ų145145.6 Ų145.689%0.8979%0.792SS**  trans-129.991.9138.741.20000109.9
324I51.7Low43.5Very low168 Ų168147.1 Ų147.186%0.86280%0.796SS**  trans-121.9105.8169.1-57.9178.5000109
325A41.4Very low42.8Very low90 Ų90144.9 Ų144.974%0.74479%0.789SS**  trans-152.7140.4154.800000105.2
326E39.2Very low42.5Very low192 Ų192143.7 Ų143.790%0.89780%0.796SS**  cis-130.2-176.712.9-126.2160.4123.800112.1
327G33.9Very low41.7Very low74 Ų74144.4 Ų144.476%0.76380%0.8SS**  trans-71.2175-171.100000116.1
328S35.4Very low41.3Very low125 Ų125144.9 Ų144.987%0.87481%0.807SS**  cis-155.6171.110.355.70000113.1
329H40Very low41.1Very low189 Ų189143.3 Ų143.388%0.87581%0.805SS**  trans-85.7168.3-170.9-98-72.1000114.3
330P56Low41Very low103 Ų103139.8 Ų139.867%0.66980%0.802SS**  trans-96.3176.6-153.439.5-40.4000115.1
331N32Very low40.7Very low154 Ų154141.3 Ų141.382%0.82480%0.801SS**  trans-163.2141.5144.9-102.7-32.2000117.1
332V34.8Very low40.4Very low116 Ų116139.6 Ų139.670%0.70380%0.796SS**  trans46.3112.9138.8-176.10000122.2
333R43Very low40.4Very low232 Ų232139.8 Ų139.888%0.87580%0.795SS**  trans23147.5135.4-63.2-177.5168.6114.6-3.4122.2
334K35.3Very low40Very low205 Ų205140.6 Ų140.689%0.89179%0.788SS**  trans81.7149.5-179.2-59.3-173.2178.2-1750112.2
335L32.2Very low39.8Very low143 Ų143136.7 Ų136.775%0.74978%0.781SS**  cis-128.216314.2-169.462.4000112
336C35.1Very low40.2Very low118 Ų118143.2 Ų143.280%0.79779%0.787SS**  trans-92.9126.8168.2-60.20000109.7
337D30.2Very low40.9Very low152 Ų152137.1 Ų137.181%0.81377%0.769SS**  trans-149.6154.4158.2-92.9-52.2000108.9
338T36.3Very low41.7Very low132 Ų132140 Ų14081%0.8177%0.766SS**  trans-107.9-176.7-161.5-24.60000112.6
339P46.3Very low42.5Very low106 Ų106136.7 Ų136.769%0.68875%0.746SS**  -91.5-179.5-117.441.7-29.5000114.6
340P40.6Very low42.9Very low124 Ų124135.2 Ų135.281%0.80573%0.734SS**  -124.9152.3116.136-33.2000115.1
341N45.3Very low42.7Very low144 Ų144137.7 Ų137.777%0.7773%0.731SS**  trans-59.2127.6-177.41807.3000114.2
342V42.6Very low43.7Very low116 Ų116135.3 Ų135.370%0.70372%0.718SS**  trans-138.7116.2164.5-174.20000109.7H344V342-H344 PolarHBondContact O-N 3.27Å
343P46.4Very low44.7Very low107 Ų107135.2 Ų135.270%0.69571%0.714SS**THydrogen-bonded Turntrans-84.36.2-160.931.2-36.7000117.3
344H43.6Very low45.5Very low162 Ų162127.5 Ų127.575%0.7569%0.689SS**THydrogen-bonded Turntrans-106.9-9.2-171.6-83.3-75.4000117.2V342 R346V342-H344 PolarHBondContact O-N 3.27Å; H344-R346 VanDerWaalsContact C-N 3.29Å; H344-R346 PolarHBondContact O-N 2.86Å
345A47.2Very low46.4Very low86 Ų86122.8 Ų122.871%0.71167%0.673SS**THydrogen-bonded Turntrans-71.1-16.1-174.400000115.2A347A345-A347 PolarHBondContact O-N 3.49Å
346R49.7Very low47.4Very low228 Ų228119.8 Ų119.886%0.8666%0.663SS**Hα-helixtrans-73.1-21.9-174.4-82-175.9171.9170.1-2.2115.1H344H344-R346 VanDerWaalsContact C-N 3.29Å; H344-R346 PolarHBondContact O-N 2.86Å
347A53.1Low48.1Very low63 Ų63121.1 Ų121.152%0.52166%0.658SS.*Hα-helixtrans-69.5-43.2-172.300000113.4A345 Y350 Y351A345-A347 PolarHBondContact O-N 3.49Å; A347-Y350 PolarHBondContact O-N 3.35Å; A347-Y351 WeakPolarHBondContact O-CD2 3.49Å
348L50.9Low49Very low136 Ų136121 Ų12171%0.71265%0.649SS**Hα-helixtrans-71.3-43.6-174.6-63.3175.4000112.2Y350 Y351 D352L348-Y350 PolarHBondContact O-N 2.88Å; L348-Y350 VanDerWaalsContact O-N 3.09Å; L348-Y351 PolarHBondContact O-N 3.26Å; L348-Y351 VanDerWaalsContact O-N 3.09Å; L348-D352 PolarHBondContact O-N 2.9Å
349A52.7Low49.9Very low54 Ų54117.3 Ų117.345%0.44663%0.627SS.*Hα-helixtrans-61.6-19.617800000113.7N353A349-N353 PolarHBondContact O-ND2 3.44Å
350Y48.8Very low50.1Low158 Ų158118.7 Ų118.762%0.6263%0.626SS**Hα-helixtrans-73.2-40.7175.1-165.9-106.4000112A347 L348 I354A347-Y350 PolarHBondContact O-N 3.35Å; L348-Y350 PolarHBondContact O-N 2.88Å; L348-Y350 VanDerWaalsContact O-N 3.09Å; Y350-I354 HydrophobicContact CD1-CD1 3.88Å; Y350-I354 HydrophobicContact CE1-CD1 3.6Å; Y350-I354 WeakPolarHBondContact O-CG1 3.34Å; Y350-I354 PolarHBondContact O-N 2.86Å
351Y49.9Very low50.6Low156 Ų156116.6 Ų116.661%0.61261%0.614SS**Hα-helixtrans-76-38.3-179-74.4-77000113.1A347 L348 N353 I354 I355A347-Y351 WeakPolarHBondContact O-CD2 3.49Å; L348-Y351 PolarHBondContact O-N 3.26Å; L348-Y351 VanDerWaalsContact O-N 3.09Å; Y351-N353 VanDerWaalsContact C-N 3.34Å; Y351-N353 PolarHBondContact O-N 2.88Å; Y351-I354 PolarHBondContact O-N 2.87Å; Y351-I355 WeakPolarHBondContact O-CG1 3.47Å; Y351-I355 PolarHBondContact O-N 2.94Å
352D54.4Low50.8Low104 Ų104116.4 Ų116.456%0.55660%0.603SS**Hα-helixtrans-61-42.3176.6-75.1-28.6000111.9L348 I354 I355 C356L348-D352 PolarHBondContact O-N 2.9Å; D352-I354 PolarHBondContact O-N 3.08Å; D352-I355 PolarHBondContact O-N 3.43Å; D352-C356 PolarHBondContact O-N 3.36Å
353N55.9Low50.7Low113 Ų113118 Ų11860%0.60460%0.597SS**Hα-helixtrans-62-41175.6-83.9-69.5000112.3A349 Y351 C356 Q357A349-N353 PolarHBondContact O-ND2 3.44Å; Y351-N353 VanDerWaalsContact C-N 3.34Å; Y351-N353 PolarHBondContact O-N 2.88Å; N353-C356 PolarHBondContact O-N 3.26Å; N353-Q357 VanDerWaalsContact O-CB 3.31Å; N353-Q357 WeakPolarHBondContact O-CB 3.41Å; N353-Q357 PolarHBondContact O-N 2.86Å
354I58.5Low50.8Low71 Ų71117.2 Ų117.236%0.36459%0.59SS.*Hα-helixtrans-65.9-38.4176.6-69.8171.2000111.3Y350 Y351 D352 K358Y350-I354 HydrophobicContact CD1-CD1 3.88Å; Y350-I354 HydrophobicContact CE1-CD1 3.6Å; Y350-I354 WeakPolarHBondContact O-CG1 3.34Å; Y350-I354 PolarHBondContact O-N 2.86Å; Y351-I354 PolarHBondContact O-N 2.87Å; D352-I354 PolarHBondContact O-N 3.08Å; I354-K358 WeakPolarHBondContact O-CB 3.35Å; I354-K358 PolarHBondContact O-N 3.34Å; I354-K358 VanDerWaalsContact O-N 3.09Å
355I55.4Low50.9Low105 Ų105116.7 Ų116.754%0.53858%0.582SS.*Hα-helixtrans-65.8-47.8176.5-68.5168.5000110.4Y351 D352 K358 T359Y351-I355 WeakPolarHBondContact O-CG1 3.47Å; Y351-I355 PolarHBondContact O-N 2.94Å; D352-I355 PolarHBondContact O-N 3.43Å; I355-K358 PolarHBondContact O-N 2.84Å; I355-T359 PolarHBondContact O-N 3.12Å; I355-T359 VanDerWaalsContact O-N 3.08Å; I355-T359 PolarHBondContact O-OG1 2.88Å
356C52.3Low50.9Low81 Ų81117.8 Ų117.855%0.54757%0.572SS.*Hα-helixtrans-63.8-41.7177.3-77.40000113D352 N353 K358 T359 M360D352-C356 PolarHBondContact O-N 3.36Å; N353-C356 PolarHBondContact O-N 3.26Å; C356-K358 VanDerWaalsContact C-N 3.3Å; C356-K358 PolarHBondContact O-N 3.33Å; C356-T359 PolarHBondContact O-N 2.96Å; C356-T359 PolarHBondContact O-OG1 2.9Å; C356-M360 VanDerWaalsContact O-CB 3.3Å; C356-M360 WeakPolarHBondContact O-CB 3.33Å; C356-M360 PolarHBondContact O-N 2.99Å
357Q50.2Low50.5Low146 Ų146111.1 Ų111.168%0.68256%0.56SS**Hα-helixtrans-64.2-37.6177.3-163.4177.443.200111.4N353 T359 S361N353-Q357 VanDerWaalsContact O-CB 3.31Å; N353-Q357 WeakPolarHBondContact O-CB 3.41Å; N353-Q357 PolarHBondContact O-N 2.86Å; Q357-T359 VanDerWaalsContact C-N 3.35Å; Q357-T359 PolarHBondContact O-N 3.1Å; Q357-S361 VanDerWaalsContact O-CB 3.27Å; Q357-S361 WeakPolarHBondContact O-CB 3.38Å; Q357-S361 PolarHBondContact O-N 2.94Å
358K49.9Very low49.6Very low148 Ų148116.5 Ų116.564%0.64357%0.571SS**Hα-helixtrans-81.3-5.7179.6-162.3166.1-173.91700114.6I354 I355 C356 R362I354-K358 WeakPolarHBondContact O-CB 3.35Å; I354-K358 PolarHBondContact O-N 3.34Å; I354-K358 VanDerWaalsContact O-N 3.09Å; I355-K358 PolarHBondContact O-N 2.84Å; C356-K358 VanDerWaalsContact C-N 3.3Å; C356-K358 PolarHBondContact O-N 3.33Å; K358-R362 PolarHBondContact O-NE 2.76Å; K358-R362 PolarHBondContact O-NH2 3.2Å
359T53.5Low49Very low55 Ų55115.8 Ų115.834%0.33757%0.573SS.*Hα-helixtrans-95.6-46162.151.60000111.1I355 C356 Q357 S361 R362 Y363I355-T359 PolarHBondContact O-N 3.12Å; I355-T359 VanDerWaalsContact O-N 3.08Å; I355-T359 PolarHBondContact O-OG1 2.88Å; C356-T359 PolarHBondContact O-N 2.96Å; C356-T359 PolarHBondContact O-OG1 2.9Å; Q357-T359 VanDerWaalsContact C-N 3.35Å; Q357-T359 PolarHBondContact O-N 3.1Å; T359-S361 PolarHBondContact O-N 3.36Å; T359-R362 WeakPolarHBondContact O-CA 3.21Å; T359-R362 VanDerWaalsContact O-CB 3.27Å; T359-R362 WeakPolarHBondContact O-CB 3.32Å; T359-R362 PolarHBondContact O-N 3.37Å; T359-Y363 WeakPolarHBondContact O-CD2 3.49Å
360M50.3Low48.6Very low136 Ų136122.5 Ų122.567%0.6759%0.592SS**Hα-helixtrans-54.1-51.5178-160.476.1151.900112C356 R362 Y363 T364C356-M360 VanDerWaalsContact O-CB 3.3Å; C356-M360 WeakPolarHBondContact O-CB 3.33Å; C356-M360 PolarHBondContact O-N 2.99Å; M360-R362 PolarHBondContact O-N 3.2Å; M360-Y363 PolarHBondContact O-N 2.9Å; M360-Y363 VanDerWaalsContact O-N 3.11Å; M360-T364 PolarHBondContact O-N 3.06Å
361S51.4Low48.2Very low80 Ų80122.4 Ų122.456%0.55960%0.597SS**THydrogen-bonded Turntrans-61.4-10.7175.4176.10000114Q357 T359Q357-S361 VanDerWaalsContact O-CB 3.27Å; Q357-S361 WeakPolarHBondContact O-CB 3.38Å; Q357-S361 PolarHBondContact O-N 2.94Å; T359-S361 PolarHBondContact O-N 3.36Å
362R49.4Very low47.5Very low140 Ų140123.8 Ų123.853%0.52861%0.609SS.*THydrogen-bonded Turntrans-98.1-6.1-179.9-141.2-174.1-50.4172.810.8113.7K358 T359 M360 W365K358-R362 PolarHBondContact O-NE 2.76Å; K358-R362 PolarHBondContact O-NH2 3.2Å; T359-R362 WeakPolarHBondContact O-CA 3.21Å; T359-R362 VanDerWaalsContact O-CB 3.27Å; T359-R362 WeakPolarHBondContact O-CB 3.32Å; T359-R362 PolarHBondContact O-N 3.37Å; M360-R362 PolarHBondContact O-N 3.2Å; R362-W365 PolarHBondContact O-NE1 3.41Å
363Y42.1Very low46.7Very low149 Ų149124.3 Ų124.358%0.58462%0.621SS**THydrogen-bonded Turntrans-111.5-26.3174.9-64.1-66.9000112.6T359 M360 W365 E366 C367T359-Y363 WeakPolarHBondContact O-CD2 3.49Å; M360-Y363 PolarHBondContact O-N 2.9Å; M360-Y363 VanDerWaalsContact O-N 3.11Å; Y363-W365 VanDerWaalsContact C-N 3.26Å; Y363-W365 PolarHBondContact O-N 3.44Å; Y363-E366 PolarHBondContact O-N 3.43Å; Y363-C367 PolarHBondContact O-N 3.26Å
364T48.5Very low45.5Very low90 Ų90126.6 Ų126.655%0.55263%0.633SS**Hα-helixtrans-61.4-28.7179.848.50000114.2M360M360-T364 PolarHBondContact O-N 3.06Å
365W45Very low44.1Very low152 Ų152128.6 Ų128.658%0.57665%0.652SS**Hα-helixtrans-81-24.7173.465.1-89.8000113.5R362 Y363R362-W365 PolarHBondContact O-NE1 3.41Å; Y363-W365 VanDerWaalsContact C-N 3.26Å; Y363-W365 PolarHBondContact O-N 3.44Å
366E46.8Very low42.9Very low108 Ų108133.4 Ų133.451%0.50567%0.673SS.*Hα-helixtrans-75.1-26.4175.7-68.7-167.4151.900111.9Y363Y363-E366 PolarHBondContact O-N 3.43Å
367C41.7Very low41.8Very low89 Ų89137 Ų13760%0.60169%0.686SS**Hα-helixtrans-79.7-37.9174.5-63.60000113.6Y363 T369 K370Y363-C367 PolarHBondContact O-N 3.26Å; C367-T369 PolarHBondContact O-N 3.25Å; C367-K370 PolarHBondContact O-N 3.38Å
368K33.8Very low40.9Very low175 Ų175136.3 Ų136.376%0.76169%0.688SS**THydrogen-bonded Turntrans-67.5-1.9-170.3-166.653.6-179.9172.80115.3
369T39.3Very low40.3Very low122 Ų122134 Ų13475%0.74869%0.687SS**THydrogen-bonded Turntrans-112.512.9-178.352.80000113.7C367C367-T369 PolarHBondContact O-N 3.25Å
370K43.6Very low39.1Very low195 Ų195140.7 Ų140.785%0.84872%0.715SS**SBendtrans-146.836.6-173.1-147.9-178-179.1-176.80115.4C367C367-K370 PolarHBondContact O-N 3.38Å
371E41Very low38.4Very low155 Ų155138.8 Ų138.872%0.72472%0.715SS**SBendtrans-129131.9177.4-165.4159.5-143.400109.2
372E35Very low37.7Very low185 Ų185143.2 Ų143.286%0.86473%0.726SS**  trans54.1104.2168.6-66.1176154.800119.3
373S38.1Very low36.7Very low116 Ų116143.2 Ų143.281%0.81174%0.737SS**  trans-107.2149.1144.657.90000109.1
374D30.7Very low36.1Very low160 Ų160143.5 Ų143.586%0.85674%0.741SS**  trans96.6155.7166.7-150.29.8000117.3
375C27.7Very low35.5Very low113 Ų113145 Ų14576%0.76475%0.746SS**  trans79.189.5-177.8-57.50000119.3
376E30.8Very low34.8Very low206 Ų206146.1 Ų146.196%0.96376%0.757SS**  -163.7162.3116.2-109.7-173.7156.100110.6
377D28.2Very low34Very low156 Ų156147.6 Ų147.683%0.83477%0.768SS**  trans-138144.5-149.1-150.1-13.3000115.3
378D32.1Very low34.1Very low133 Ų133148.5 Ų148.571%0.71177%0.773SS**  trans53.3177.1168.6-124.414.1000117.8
379P36.4Very low34Very low98 Ų98146.2 Ų146.264%0.63677%0.774SS**  cis-129.3127.5-13.435.3-17.1000115.7
380H30.1Very low33.4Very low197 Ų197150.3 Ų150.391%0.91278%0.781SS**  trans-163.298.2140.5-113.6-44.7000112.6
381S34.9Very low32.6Very low96 Ų96145 Ų14567%0.67177%0.774SS**  trans-112.5163.9167.861.50000111.2
382Q35.6Very low32.9Very low172 Ų172143.3 Ų143.380%0.80478%0.776SS**  trans104.3119-172-67.5-173.136.800113.3
383N29.3Very low33.5Very low141 Ų141139.9 Ų139.975%0.75477%0.77SS**  cis-146-164.60.4-75.8-51.6000107.6
384K29.6Very low33.4Very low154 Ų154143.3 Ų143.367%0.6777%0.77SS**  cis-159.294.512.1-169.2-131.2120-82.60113.9
385L35.9Very low33.5Very low123 Ų123145 Ų14564%0.64477%0.773SS**  trans65129.2134.3-16876.8000121.8
386E31Very low33.7Very low174 Ų174146.6 Ų146.681%0.81377%0.774SS**  trans87144.1156.5-84.1153.442.500122.5
387D30.3Very low34Very low139 Ų139143.8 Ų143.874%0.74377%0.766SS**  trans-145.9154.2-170.6-171.733.5000106.2
388P42.3Very low34.2Very low108 Ų108141.2 Ų141.270%0.70176%0.76SS**  -156.7148.876.938.5-15.3000120.1
389V32Very low34.3Very low128 Ų128143 Ų14378%0.77677%0.768SS**  trans63.3120.3136.3175.40000122
390K27Very low34.1Very low207 Ų207144.8 Ų144.890%0.977%0.772SS**  -164151.6125.1-150.3171.8179.8-178.10114.4
391A27.7Very low34.4Very low84 Ų84142.2 Ų142.269%0.69476%0.764SS**  trans-158.9-172.9172.100000109.2
392P46.8Very low34.5Very low119 Ų119146.3 Ų146.377%0.77377%0.772SS**  cis-108.5-137.3-20.446.4-32.4000108.4
393P47.5Very low34.3Very low114 Ų114144.3 Ų144.374%0.7477%0.767SS**  cis-95.1-171.4-16.934.1-18.7000112.3
394K34.8Very low34.5Very low188 Ų188141.7 Ų141.782%0.81776%0.76SS**  cis86.4123.223-51.2-168.4172.2-162.10119.8
395E33.8Very low34.9Very low196 Ų196142.6 Ų142.692%0.91677%0.771SS**  trans-154159.3133.853.8-161.4142.900111.3
396D32.4Very low34.8Very low146 Ų146142.4 Ų142.478%0.78178%0.775SS**  trans-114.3152.7-171.7-73-95000111.3
397D35.8Very low35.1Very low147 Ų147140.2 Ų140.279%0.78678%0.776SS**  trans-152.7157.2138.8-150-16.1000111.7
398S32.7Very low35Very low102 Ų102143.4 Ų143.471%0.71378%0.783SS**  trans-149.3109.9-170.9-74.10000112.3
399L34.4Very low34.4Very low170 Ų170144.9 Ų144.989%0.8978%0.78SS**  trans-102118.2179.5-64.3178.5000112.4
400N31.6Very low34.2Very low135 Ų135147 Ų14772%0.72278%0.782SS**  trans-145.4109.1178.2-172.227.8000112.4
401I38Very low34.4Very low143 Ų143142.9 Ų142.973%0.73377%0.77SS**  trans46.2118.1152.7-60.2170.4000118.9
402H35.9Very low34.6Very low182 Ų182147.3 Ų147.384%0.84378%0.776SS**  -146.9163.2120.3-144.8-92.8000113.8
403N31.9Very low33.9Very low130 Ų130149.3 Ų149.370%0.69577%0.772SS**  trans-117.6173.9-175.2-174.524000111.5
404S33.7Very low33.2Very low86 Ų86150.9 Ų150.960%0.60178%0.779SS**  trans87.1116.4157.9-50.80000118.7
405L37.8Very low33.1Very low173 Ų173148.2 Ų148.291%0.90677%0.773SS**  -169.7169.4118.1-101.8163.4000112.4
406T33.6Very low33Very low119 Ų119142.4 Ų142.473%0.7377%0.766SS**  trans-93.4150.7-164.350.60000115.1
407P36.1Very low32.9Very low128 Ų128142.4 Ų142.483%0.83176%0.761SS**  trans-74.2146.7172.932.3-35.2000112.2
408K28.6Very low32.8Very low207 Ų207143.9 Ų143.990%0.976%0.764SS**  trans-140.5130169-149.2179.5-173.8-1710111.6
409H30.8Very low32.8Very low138 Ų138146.5 Ų146.564%0.63977%0.769SS**  trans-49.9136.3-179.6159.4-72.4000116.2N411H409-N411 PolarHBondContact NE2-ND2 3.18Å; H409-N411 VanDerWaalsContact NE2-ND2 3.18Å
410E27.1Very low33Very low174 Ų174142.3 Ų142.381%0.81376%0.755SS**  trans-156.2165.8130.1-150.8102.5-103.200110.4
411N30.5Very low33.2Very low120 Ų120140.7 Ų140.764%0.64275%0.754SS**  trans-110.4147.6-167.8-88.3-88.6000113.6H409H409-N411 PolarHBondContact NE2-ND2 3.18Å; H409-N411 VanDerWaalsContact NE2-ND2 3.18Å
412H33Very low33.2Very low176 Ų176142.6 Ų142.682%0.81576%0.76SS**  -170.3143.4111.7-124.8-65.1000116.8
413K31.7Very low33.2Very low162 Ų162140.1 Ų140.170%0.70476%0.757SS**  trans66.984.3143.5-140.2176.7-166.2-62.80119.8
414V32.2Very low33.3Very low146 Ų146140.4 Ų140.489%0.88576%0.758SS**  trans-102.8147.4136.8173.90000107.7
415L33.3Very low33.5Very low132 Ų132141.9 Ų141.969%0.69177%0.769SS**  trans-85.6135.4176.3-16876.2000109.4
416G31.3Very low33.8Very low74 Ų74140.8 Ų140.876%0.76376%0.763SS**  trans-167.671.1-172.500000112.7
417E31.8Very low34.1Very low146 Ų146143.8 Ų143.868%0.68277%0.769SS**  trans-84.7145.2164.3-77.6148.1130.700108.9
418E31.8Very low34.1Very low179 Ų179144.1 Ų144.184%0.83676%0.764SS**  cis-160.6160.4-548.5-156.6127.300113.7
419N34.2Very low34.4Very low156 Ų156141.9 Ų141.983%0.83476%0.762SS**  trans-38.9169.7175.2-92-2.3000119
420S37.1Very low34.8Very low83 Ų83143.7 Ų143.758%0.5877%0.772SS**  cis170.2-175.3-20.461.80000109.8
421S37.8Very low35.3Very low101 Ų101147.8 Ų147.871%0.70680%0.795SS**  trans66.8127.3161.754.20000117.8
422E37.2Very low35.5Very low183 Ų183149.2 Ų149.286%0.85580%0.802SS**  cis92.610437.3-71.4-163.2110.900115.9
423V35.9Very low35.7Very low130 Ų130147.8 Ų147.879%0.78880%0.802SS**  trans18.6123148.3-85.10000122.1
424N34.9Very low35.9Very low135 Ų135147 Ų14772%0.72281%0.807SS**  71.7106.3126.9-168.919.2000119.9
425S37.2Very low36.1Very low117 Ų117147.1 Ų147.182%0.81880%0.803SS**  trans-150.3149.6133.6-83.90000111
426L44.6Very low36.3Very low150 Ų150148 Ų14879%0.78581%0.81SS**  trans-73.6145.5177.7-49.793.7000110.6
427Q38.9Very low36.6Very low182 Ų182152.9 Ų152.985%0.8581%0.813SS**  -176.3148.2112.5-98.8161.87.600114.6
428N36.8Very low37Very low136 Ų136153.4 Ų153.473%0.72782%0.822SS**  trans-35.8141.6172.1-43.1-31.3000115.7
429N34.6Very low37.4Very low160 Ų160151.5 Ų151.586%0.85682%0.821SS**  -171.9152.494.7-90.4-34.9000112.8
430M38.4Very low37.6Very low176 Ų176151.1 Ų151.187%0.86782%0.82SS**  trans-83.4151.4156.5-64.3172.8-75.600109
431M38.3Very low37.7Very low260 Ų260157.3 Ų157.3100%1.28184%0.841SS**  trans-158.20135-137.670.9-17100110.7

Retrieved 431 of 431 residues in 48.5 ms (Link to these results)