A0A096N4S6_PAPAN Loading...

ERBB receptor feedback inhibitor 1

AlphaFold DB (F6SQ62), UniProt , Accession A0A096N4S6, Species PAPAN (Papio anubis, Olive baboon), Gene ERRFI1, Length 462 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
1M46.1Very low44.8Very low235 Ų235137 Ų137100%1.15884%0.84SS**  0171.80-67.2-164.3-71.300108.9
2S42.2Very low44.4Very low125 Ų125142.2 Ų142.287%0.87483%0.832SS**  trans68.397.4-174.3-55.10000115.1
3I48.3Very low44.2Very low178 Ų178140.5 Ų140.591%0.91383%0.825SS**  trans-111.5132.2155.1-61.1171.5000105.4
4A51.1Low44.2Very low97 Ų97138.9 Ų138.980%0.80282%0.82SS**  trans-133.299.6175.900000109.3
5G40.3Very low44Very low76 Ų76141.4 Ų141.478%0.78483%0.827SS**  trans-82.8136.3172.600000110.8A7G5-A7 PolarHBondContact O-N 3.35Å
6V44.5Very low44.1Very low154 Ų154145.4 Ų145.493%0.93383%0.831SS**  trans-86.8108.7174.4179.70000108.9
7A47.4Very low43.7Very low94 Ų94143.8 Ų143.878%0.77783%0.825SS**  trans-90.9146.8172.200000110.9G5G5-A7 PolarHBondContact O-N 3.35Å
8A43.2Very low43.3Very low103 Ų103140.1 Ų140.185%0.85182%0.823SS**  trans-81.1143.2-179.200000112.4E10A8-E10 PolarHBondContact O-N 3.43Å
9Q44.2Very low43.2Very low173 Ų173141.4 Ų141.481%0.80882%0.818SS**  trans-84.599.6177.3-172.372.765.200110.6I11Q9-I11 HydrophobicContact CG-CG1 4.37Å
10E38.4Very low43.1Very low131 Ų131143.2 Ų143.261%0.61282%0.824SS**  trans-74127.7168.9-166.8-171.5-121.300109.8A8 R12A8-E10 PolarHBondContact O-N 3.43Å; E10-R12 IonicContact OE1-NH2 3.77Å; E10-R12 PolarHBondContact OE1-NH2 3.25Å; E10-R12 IonicContact OE2-CZ 3.3Å; E10-R12 IonicContact OE2-NE 2.69Å; E10-R12 PolarHBondContact OE2-NE 3.35Å; E10-R12 IonicContact OE2-NH2 3.77Å; E10-R12 PolarHBondContact OE2-NH2 2.97Å
11I47Very low42.9Very low141 Ų141143.5 Ų143.572%0.72382%0.817SS**  trans-108107.1178.2-58.8179.6000109.2Q9 V13Q9-I11 HydrophobicContact CG-CG1 4.37Å; I11-V13 HydrophobicContact CG2-CG2 4.14Å
12R40.1Very low42.4Very low199 Ų199140.1 Ų140.175%0.75180%0.804SS**  trans-99.7127.9169.5-57.3-176.6-169.7-157.5-3.9109.3E10E10-R12 IonicContact OE1-NH2 3.77Å; E10-R12 PolarHBondContact OE1-NH2 3.25Å; E10-R12 IonicContact OE2-CZ 3.3Å; E10-R12 IonicContact OE2-NE 2.69Å; E10-R12 PolarHBondContact OE2-NE 3.35Å; E10-R12 IonicContact OE2-NH2 3.77Å; E10-R12 PolarHBondContact OE2-NH2 2.97Å
13V42.2Very low42Very low121 Ų121137.8 Ų137.873%0.73380%0.8SS**  trans-115.9121.9173.1-178.20000109I11I11-V13 HydrophobicContact CG2-CG2 4.14Å
14P43.8Very low41.2Very low118 Ų118140.9 Ų140.977%0.76680%0.8SS**  trans-84.5132.9177.720.9-12.4000111.8
15L41.9Very low40.4Very low176 Ų176140.5 Ų140.592%0.92180%0.797SS**  trans-74.3134.3167.7-65173.9000109.8
16K44.7Very low40.2Very low205 Ų205146 Ų14689%0.89181%0.805SS**  trans-118.3106.2178.7-167.1175.1-175.7179.20111.4
17T37.8Very low39.6Very low118 Ų118142 Ų14272%0.72479%0.794SS**  trans-63.5140.6174.8-510000111.5F19T17-F19 HydrophobicContact CG2-CD2 3.83Å; T17-F19 HydrophobicContact CG2-CE2 3.91Å
18G36.8Very low39Very low77 Ų77145.2 Ų145.279%0.79480%0.798SS**  trans-134.6103.4171.800000111.5
19F40.8Very low38.7Very low166 Ų166147.6 Ų147.673%0.72879%0.794SS**  trans-86.7137.8168.3-85.3-94.9000110.1T17T17-F19 HydrophobicContact CG2-CD2 3.83Å; T17-F19 HydrophobicContact CG2-CE2 3.91Å
20L42.4Very low38.1Very low177 Ų177151.2 Ų151.293%0.92780%0.8SS**  trans-137.6143.5158.8-74.3177.9000109.2
21H38.7Very low38Very low150 Ų150153.2 Ų153.269%0.69481%0.806SS**  trans-118.4163.8-174.9-91.6-97.1000112
22N34.8Very low37.4Very low163 Ų163152.8 Ų152.887%0.87281%0.81SS**  trans81.1130.1164.2-49.9-37.8000117.3
23G34.3Very low37Very low77 Ų77148.4 Ų148.479%0.79481%0.809SS**  trans166.439.8169.300000123
24R32Very low36.8Very low242 Ų242154.2 Ų154.291%0.91382%0.818SS**  trans6391.7146.2-159.7179.2-149.6-110.14.1121.3
25A33.3Very low36.1Very low89 Ų89154.5 Ų154.574%0.73682%0.823SS**  60.1163129.300000123.2
26M36.9Very low35.6Very low193 Ų193152.3 Ų152.395%0.95182%0.822SS**  trans74.1130-174.6-51.4-68.2-80.900114.8
27G31.1Very low35.1Very low68 Ų68153 Ų15370%0.70182%0.82SS**  cis-174.4140.9-9.600000113.1
28N34.7Very low35Very low163 Ų163152.1 Ų152.187%0.87282%0.818SS**  trans11.7101.4164.6-59.7-15.9000120.4
29M37.2Very low35.1Very low153 Ų153156.1 Ų156.175%0.75482%0.816SS**  trans-164.4103.9130.8-113.4-59160.400113
30R31.1Very low35.1Very low248 Ų248158.6 Ų158.694%0.93683%0.827SS**  trans-144106.1161.8-77.9-168.3175.5-178.3-1.4109.7
31K36.1Very low34.6Very low173 Ų173159 Ų15975%0.75282%0.821SS**  trans-113.7105.3164.9-79.2-173.1175.5-175.60107
32T35.3Very low34.5Very low132 Ų132158 Ų15881%0.8182%0.821SS**  66.859.988.565.40000114.1
33C31.7Very low34.5Very low108 Ų108157.4 Ų157.473%0.7382%0.818SS**  trans-160.3142.5148.5-145.30000105.9
34W37.1Very low34.6Very low243 Ų243160.9 Ų160.992%0.9281%0.811SS**  cis-117.1138.29.5-70.232000111.5
35S29.6Very low35.1Very low123 Ų123156.7 Ų156.786%0.8681%0.806SS**  trans-155.6101.5155.9-173.10000108.2
36S32.3Very low35.3Very low130 Ų130158.8 Ų158.891%0.90981%0.805SS**  trans-129.6146.6173.1-80.70000109
37R33Very low35.8Very low221 Ų221156.5 Ų156.583%0.83480%0.795SS**  trans-99.2154.1-156.9-173.2171.6177.7-119.78.4112.3E39R37-E39 PolarHBondContact O-N 3.49Å
38S36.9Very low36.3Very low99 Ų99158.5 Ų158.569%0.69279%0.79SS**  trans-30.8129.2161152.90000113.7
39E38.2Very low36.8Very low160 Ų160156.2 Ų156.275%0.74878%0.784SS**  trans-169.2102.7132.5-106.3160.3-124.200110.2R37R37-E39 PolarHBondContact O-N 3.49Å
40F40.4Very low37.4Very low219 Ų219155.6 Ų155.696%0.96178%0.782SS**  trans-136.1147.1158.9-108-83.2000110.3
41K32.8Very low38Very low184 Ų184149.4 Ų149.480%0.877%0.772SS**  trans-94.4137.4-150.6-164.5173.7-178.1178.80112.3N43K41-N43 PolarHBondContact O-N 3.5Å; K41-N43 VanDerWaalsContact O-N 3.13Å
42N36Very low38.6Very low129 Ų129149.3 Ų149.369%0.6978%0.776SS**  trans-61.1111.9175.5-66.6-38.4000111.4F44N42-F44 HydrophobicContact CB-CD2 3.86Å; N42-F44 HydrophobicContact CB-CE2 3.73Å
43N35.3Very low39.2Very low151 Ų151146.8 Ų146.881%0.80777%0.768SS**  trans-106.982.7163.4-76.2-16.1000108.3K41 L45K41-N43 PolarHBondContact O-N 3.5Å; K41-N43 VanDerWaalsContact O-N 3.13Å; N43-L45 PolarHBondContact O-N 3.07Å
44F35Very low39.6Very low150 Ų150152.6 Ų152.666%0.65878%0.777SS**  trans-69.9116.5173.1-76.2-86.5000110.2N42N42-F44 HydrophobicContact CB-CD2 3.86Å; N42-F44 HydrophobicContact CB-CE2 3.73Å
45L43.3Very low39.9Very low155 Ų155146.3 Ų146.381%0.81277%0.77SS**  trans-100.580.3153.4-70.5179.2000108N43 I47N43-L45 PolarHBondContact O-N 3.07Å; L45-I47 PolarHBondContact O-N 3.34Å
46N37.9Very low40.5Very low132 Ų132148 Ų14871%0.70677%0.769SS**  trans-69.7110.2163.8-73.3-25.1000107.4
47I47.2Very low40.7Very low145 Ų145149.6 Ų149.674%0.74477%0.767SS**  trans-105.1105.6172.2-63.5171.1000105.8L45L45-I47 PolarHBondContact O-N 3.34Å
48D40.5Very low40.7Very low111 Ų111144.7 Ų144.759%0.59477%0.766SS**  trans-65.1134.3-176.4-80.6-45.9000111.4I50 T51D48-I50 PolarHBondContact O-N 2.76Å; D48-T51 PolarHBondContact O-N 2.76Å
49P47.1Very low40.8Very low114 Ų114146.2 Ų146.274%0.7478%0.777SS**THydrogen-bonded Turntrans-71.32.4-173.429.7-36.6000114.3
50I48.3Very low40.5Very low141 Ų141143.3 Ų143.372%0.72378%0.78SS**THydrogen-bonded Turntrans-90.3-25.1-175-58.1177.8000111.5D48 M52D48-I50 PolarHBondContact O-N 2.76Å; I50-M52 VanDerWaalsContact C-N 3.26Å; I50-M52 PolarHBondContact O-N 2.96Å
51T44.5Very low40.3Very low118 Ų118142 Ų14272%0.72478%0.777SS**G310 helixtrans-73.7-12.5-174.7-430000113.9D48 A53D48-T51 PolarHBondContact O-N 2.76Å; T51-A53 VanDerWaalsContact C-N 3.27Å; T51-A53 PolarHBondContact O-N 3.39Å
52M49.2Very low40.2Very low171 Ų171140.5 Ų140.584%0.84277%0.773SS**G310 helixtrans-839.2179.6-80.7-63.4-58.900114.6I50I50-M52 VanDerWaalsContact C-N 3.26Å; I50-M52 PolarHBondContact O-N 2.96Å
53A46.3Very low39.8Very low78 Ų78143.7 Ų143.765%0.64578%0.775SS**G310 helixtrans-114.817.2-167.800000115.7T51T51-A53 VanDerWaalsContact C-N 3.27Å; T51-A53 PolarHBondContact O-N 3.39Å
54Y41.7Very low39.5Very low231 Ų231144.1 Ų144.191%0.90678%0.777SS**SBendtrans-154.367.9179-120.7-75.6000115.2
55S42.8Very low39.3Very low110 Ų110144.3 Ų144.377%0.76978%0.783SS**  trans-158.137.3173.855.20000116
56L41Very low39Very low160 Ų160143 Ų14384%0.83878%0.783SS**SBendtrans-124.2138.9162.3-70.6175.4000110
57N38.5Very low38.8Very low162 Ų162144.8 Ų144.887%0.86679%0.793SS**  trans72.486.7178.5-49.5-35.6000117.4
58S32.2Very low37.9Very low119 Ų119140.3 Ų140.383%0.83278%0.782SS**  trans-149.5105.3135.459.50000112.2
59S37.9Very low37.4Very low131 Ų131144.1 Ų144.192%0.91680%0.796SS**  trans-94.686.6168.556.70000109.5
60A33.3Very low36.6Very low98 Ų98145.1 Ų145.181%0.8180%0.8SS**  trans-141.9150.4176.700000111.3
61Q36.4Very low35.7Very low191 Ų191142.7 Ų142.789%0.89380%0.795SS**  trans-122.1112.9-163.4172.4-166.913.800110.5
62E29.8Very low35.2Very low154 Ų154146.8 Ų146.872%0.7280%0.803SS**  trans177151.8159.8-102.6-167.3134.100109
63R27.6Very low34.3Very low195 Ų195144.2 Ų144.274%0.73680%0.802SS**  cis-163.6162.8-20.1-141.8-179.2-165.4149.2-7109.3
64L29.8Very low33.6Very low160 Ų160145.3 Ų145.384%0.83881%0.811SS**  trans74.4139.7162.4-57.1171.8000119.4
65I30.1Very low33.8Very low155 Ų155140 Ų14080%0.79581%0.805SS**  trans-109.1162.5171-20.3175.4000107.1
66P37.3Very low33.3Very low126 Ų126142.8 Ų142.882%0.81881%0.808SS**  -153.3144.887.137.3-18.6000116.5
67L33.8Very low32.7Very low171 Ų171142.1 Ų142.190%0.89581%0.805SS**  trans-150.7107151.9-169.160.5000113.2
68G27.6Very low32.3Very low50 Ų50137 Ų13752%0.51579%0.791SS.*  trans58.7113141.200000122
69H30.3Very low32.4Very low192 Ų192140.4 Ų140.489%0.88979%0.793SS**  37.3121.1121.3-51.6-62000118.4
70T29.6Very low32.1Very low135 Ų135138.7 Ų138.783%0.82878%0.78SS**  cis-149.7-160.721.7610000109.6
71S30.9Very low32.2Very low90 Ų90143.7 Ų143.763%0.62978%0.784SS**  cis-158.7156.28.4136.40000111.9
72K32.7Very low32.1Very low203 Ų203139 Ų13988%0.88378%0.777SS**  trans29110.7155.5-62.7-177.8176.5-178.90119.5
73S31.5Very low32.2Very low118 Ų118139.3 Ų139.383%0.82578%0.779SS**  trans-87.4166.8153.754.10000112.1
74A31.1Very low32.5Very low100 Ų100136.8 Ų136.883%0.82678%0.78SS**  trans-137.5125.4162.800000108.7
75P45.1Very low32.6Very low120 Ų120132.6 Ų132.678%0.77978%0.775SS**  trans-108.6154.8-170.138.9-33.9000114.9
76M32.2Very low33.3Very low169 Ų169130.8 Ų130.883%0.83377%0.774SS**  trans-154.2104.7156.7-162.767.375.600105.5
77N29Very low33.3Very low146 Ų146129.8 Ų129.878%0.78177%0.77SS**  53.5118.593.9-156.436.1000112.8
78G30.1Very low33.3Very low55 Ų55130.5 Ų130.557%0.56777%0.768SS**  cis136.2125.50.400000111.3
79H34.8Very low33.7Very low189 Ų189137.4 Ų137.488%0.87578%0.784SS**  trans-159.8147.3163-121.5-84.6000110.8
80C31.5Very low33.9Very low95 Ų95134.1 Ų134.164%0.64278%0.783SS**  trans-126-175.6-177-66.40000111.1
81F35.8Very low34.2Very low203 Ų203133 Ų13389%0.8978%0.781SS**  trans75.1136.9173.9-39.7-68000114.3
82A33.6Very low34.6Very low92 Ų92136.2 Ų136.276%0.7679%0.79SS**  cis-147.8180-15.500000106.4
83E31.6Very low35.8Very low162 Ų162132.3 Ų132.376%0.75779%0.785SS**  cis-167.4155.731.9-173167.1171.600110.4
84N33.3Very low36.7Very low142 Ų142132.2 Ų132.276%0.75978%0.782SS**  trans9.1129.8160.8-46.9-31.4000119
85G33.3Very low37Very low71 Ų71135 Ų13573%0.73278%0.782SS**  cis100.5155.623.200000112.4
86P45.3Very low36.3Very low117 Ų117137.6 Ų137.676%0.7679%0.788SS**  cis-144.9151.9-22.139.7-21000117.2
87S36.3Very low36.5Very low106 Ų106137.2 Ų137.274%0.74179%0.788SS**  trans66.7173.2144.578.70000119.9
88Q32.9Very low37.3Very low185 Ų185135.8 Ų135.886%0.86479%0.787SS**  cis-131.8-167.43.5-77.3-16115.700113
89K36.5Very low38Very low195 Ų195138.4 Ų138.485%0.84879%0.794SS**  trans-116.6-173.2-173.7-58178.8176.8179.70113.2
90S35.5Very low37.8Very low124 Ų124134 Ų13487%0.86779%0.785SS**  trans83.5157.2160.883.70000116.7
91S35.3Very low37.8Very low111 Ų111137.8 Ų137.878%0.77679%0.793SS**  cis-164.5165-22178.50000109.9
92L40Very low37.5Very low158 Ų158135 Ų13583%0.82779%0.787SS**  trans-90.9177167.8-56.1177.1000110.9
93P56.9Low37.4Very low120 Ų120139 Ų13978%0.77980%0.795SS**  cis-127.2-142.87.139.8-16.4000111.7
94P50.3Low37.2Very low117 Ų117134.4 Ų134.476%0.7679%0.791SS**  cis-134.5-98.9-3.837.6-12.3000118.7
95L38.3Very low37.6Very low157 Ų157133.5 Ų133.582%0.82279%0.793SS**  trans-153154.5-153.5-68.4168.7000114.9
96L30.6Very low37.4Very low175 Ų175137.7 Ų137.792%0.91679%0.793SS**  166.4160129.4-89.7169.3000114.4
97I35.1Very low36.9Very low161 Ų161139.7 Ų139.783%0.82679%0.792SS**  trans-148.2127.5-168.2-56.4163.3000113.3
98P47Very low36.8Very low117 Ų117143.6 Ų143.676%0.7680%0.799SS**  trans-152.3-166.813543-26.9000112.8
99P43.9Very low36.9Very low110 Ų110141.7 Ų141.771%0.71480%0.795SS**  cis-128.4168.1-19.140.6-25.1000116.4
100S29.8Very low36.8Very low97 Ų97139.9 Ų139.968%0.67879%0.789SS**  trans40169150.178.20000122.9
101E31.6Very low36.7Very low173 Ų173139.5 Ų139.581%0.80878%0.781SS**  cis-150.5-171.312-146.4140.6-79.100113.9
102N29.8Very low36.6Very low146 Ų146140 Ų14078%0.78178%0.78SS**  trans-95.1163.6-164.1-77.9-86000116.9
103L32.1Very low36.1Very low174 Ų174138.8 Ų138.891%0.91178%0.783SS**  trans132.7143.4140.8-73.6160.4000116.6
104G27.4Very low34.9Very low66 Ų66136 Ų13668%0.6878%0.776SS**  trans-105.8-151.5157.600000110.4
105P41.6Very low34.5Very low124 Ų124140 Ų14081%0.80578%0.782SS**  cis-142.6-168.38.641.5-20.4000116.1
106H28.6Very low34.5Very low158 Ų158142.3 Ų142.373%0.73179%0.785SS**  trans73.1117145.4-127.4-102.3000123.8
107E35Very low35.1Very low159 Ų159141.2 Ų141.274%0.74377%0.773SS**  trans37.8123.9132-160.3173.4-116.100124.3
108E34.3Very low35.2Very low189 Ų189142 Ų14288%0.88378%0.778SS**  trans-171.1107.3139.2-104.3173.4-169.500106.4
109D36.1Very low34.6Very low144 Ų144140.6 Ų140.677%0.7777%0.768SS**  79.6153.885.9-164.736.4000116.6
110Q33.8Very low34.4Very low157 Ų157142.3 Ų142.373%0.73478%0.775SS**  trans99.5118.9161.5-61-155.3900123.3
111V33.6Very low34.8Very low116 Ų116145 Ų14570%0.70378%0.783SS**  85.386.6128.3176.10000121
112V31.7Very low35Very low122 Ų122140 Ų14074%0.73978%0.776SS**  55.9124.7107.8174.30000121.7
113C30.3Very low35.1Very low132 Ų132139.8 Ų139.889%0.89278%0.78SS**  trans65.3154.8156.9-76.30000120
114G32.6Very low35.2Very low62 Ų62137.3 Ų137.364%0.63978%0.776SS**  cis171.9163.6-7.700000115.2
115F40.4Very low35.4Very low202 Ų202138.6 Ų138.689%0.88678%0.781SS**  trans-53.5157169.5-30.7-84.2000110.7
116K39.6Very low35.1Very low204 Ų204138.4 Ų138.489%0.88778%0.782SS**  -167.8-172.966.8-26.6-175.4-178172.20107.5
117K42.4Very low35.4Very low153 Ų153136.9 Ų136.967%0.66578%0.784SS**  cis-168.6143.3-0.1158-166.8169.1-167.20107.7T119K117-T119 HydrophobicContact CD-CG2 4.25Å; K117-T119 VanDerWaalsContact CE-CG2 3.44Å; K117-T119 WeakPolarHBondContact CE-OG1 3.01Å; K117-T119 HydrophobicContact CG-CG2 3.97Å
118L37.7Very low36.3Very low177 Ų177134.8 Ų134.893%0.92778%0.784SS**  trans-139.9156.6141.8-82.9-172.1000110.3
119T34.2Very low37.4Very low88 Ų88130.8 Ų130.854%0.5478%0.775SS.*  trans-152152.2-160.941.80000114.5K117K117-T119 HydrophobicContact CD-CG2 4.25Å; K117-T119 VanDerWaalsContact CE-CG2 3.44Å; K117-T119 WeakPolarHBondContact CE-OG1 3.01Å; K117-T119 HydrophobicContact CG-CG2 3.97Å
120V39Very low37.5Very low145 Ų145131.8 Ų131.888%0.87978%0.779SS**  trans-127.4151.6154.9179.90000108.7
121N39.3Very low37.9Very low155 Ų155130.3 Ų130.383%0.82978%0.781SS**  trans-84.6163.4-171.5-56.7-23000112.1
122G35.3Very low38.9Very low66 Ų66130 Ų13068%0.6878%0.782SS**  cis165.3-159.4-1.800000112.2
123V31.5Very low39Very low142 Ų142131.6 Ų131.686%0.86178%0.784SS**  trans81.3106.1176-169.80000117.2
124C34.2Very low39.3Very low123 Ų123133.8 Ų133.883%0.83178%0.779SS**  trans23142135.6-60.90000121.8
125A33.2Very low39.3Very low93 Ų93138 Ų13877%0.76979%0.786SS**  cis-167.5170.6-1.700000113.7
126S34.9Very low38.8Very low120 Ų120133.7 Ų133.784%0.83978%0.781SS**  trans74.6120.2158.6-1410000120.6
127T34.2Very low39.5Very low126 Ų126129.7 Ų129.777%0.77378%0.776SS**  trans-122.7-176.616542.80000108.1
128P54.5Low39.1Very low115 Ų115128.1 Ų128.175%0.74779%0.785SS**  cis-122.3-124.4-35.4240.2000111.6
129P56.7Low39Very low105 Ų105126.2 Ų126.268%0.68278%0.775SS**  -122.8-169.8-106.940.3-22.4000114.3
130L38.1Very low39.2Very low165 Ų165130.9 Ų130.986%0.86479%0.788SS**  trans163.3172.9131.4-85.2166.1000112.8
131T42.2Very low39.4Very low126 Ų126129.3 Ų129.377%0.77378%0.781SS**  trans-123.1-141.2-16446.70000114.6
132P54.9Low39.1Very low110 Ų110128.7 Ų128.771%0.71479%0.787SS**  -130.2143.8-103.539.5-21.8000118
133I32.9Very low39.1Very low155 Ų155130.1 Ų130.180%0.79579%0.793SS**  trans-146.3117.4170-59.293.7000106.8
134K37.5Very low39.7Very low177 Ų177128.8 Ų128.877%0.7779%0.787SS**  78.710855.5-172-159.5171.6-178.20114.5
135N32.1Very low39.8Very low150 Ų150130.7 Ų130.780%0.80279%0.788SS**  trans170.8158.2136.6-87.8-10.3000113.5
136S31.4Very low40.6Very low112 Ų112132 Ų13278%0.78379%0.79SS**  trans-147.1-177.5169.965.80000107.7
137P54.1Low40.9Very low120 Ų120134.7 Ų134.778%0.77979%0.789SS**  cis-127.2-175.3-842.1-26.9000113.5
138S34.1Very low41.8Very low121 Ų121140.7 Ų140.785%0.84680%0.798SS**  trans-156.7168.8161.6-165.30000111.9
139L35.6Very low41.3Very low136 Ų136138.4 Ų138.471%0.71280%0.796SS**  trans-128.9122.7-156.2-69.9165.1000115.7
140F37.3Very low41.3Very low186 Ų186138.9 Ų138.982%0.81680%0.801SS**  trans59.8178.7154.4-55.9-59.8000117.5
141P44.4Very low42.8Very low113 Ų113142.2 Ų142.273%0.73480%0.802SS**  -132.8143.3-84.138.4-21.7000115.2
142C32.9Very low44.1Very low141 Ų141141.9 Ų141.995%0.95380%0.802SS**  trans-144.5142.4163.7-85.70000109.9
143A34.8Very low44.6Very low97 Ų97144 Ų14480%0.80281%0.807SS**  trans-153.8161.9179.700000110.7
144P44Very low46.4Very low114 Ų114141.7 Ų141.774%0.7480%0.802SS**  cis-120161.7-13.337.7-25.3000113
145L36.6Very low47.9Very low162 Ų162139.2 Ų139.285%0.84880%0.804SS**  trans-118.6124.5153.6-173.265.1000108.8E147L145-E147 PolarHBondContact O-N 3.3Å; L145-E147 VanDerWaalsContact O-N 3.12Å
146C49.2Very low49.3Very low122 Ų122139.5 Ų139.582%0.82480%0.804SS**  trans-85.477.2-173.8-68.50000112.3
147E41Very low50.7Low176 Ų176139.7 Ų139.782%0.82280%0.803SS**  trans-82.9151157.9-72.1-157.111800111.6L145 G149L145-E147 PolarHBondContact O-N 3.3Å; L145-E147 VanDerWaalsContact O-N 3.12Å; E147-G149 PolarHBondContact O-N 2.91Å
148R53.7Low50.3Low251 Ų251141.6 Ų141.695%0.94781%0.805SS**  trans-76.269.4-179.7-74.7-178.3168.2-172.2-2.8111.6S150R148-S150 PolarHBondContact O-N 3.24Å
149G43.2Very low51Low68 Ų68141.6 Ų141.670%0.70181%0.805SS**  trans-65.398.617100000111.5E147 R151E147-G149 PolarHBondContact O-N 2.91Å; G149-R151 VanDerWaalsContact C-N 3.34Å; G149-R151 PolarHBondContact O-N 2.83Å
150S57.9Low51.7Low114 Ų114143 Ų14380%0.79781%0.808SS**  trans-65.992.8166.954.10000109.1R148R148-S150 PolarHBondContact O-N 3.24Å
151R68.9Low52.4Low235 Ų235139.3 Ų139.389%0.88781%0.812SS**PPolyproline II helixtrans-56.4128.5172.1-67.9-178.4177.7179.5-1.6108.2G149G149-R151 VanDerWaalsContact C-N 3.34Å; G149-R151 PolarHBondContact O-N 2.83Å
152P68.6Low52.5Low120 Ų120141.3 Ų141.378%0.77982%0.816SS**PPolyproline II helixtrans-59.3146.9167.627.4-33.5000108.7
153L66.1Low53.4Low155 Ų155139.9 Ų139.981%0.81281%0.807SS**PPolyproline II helixtrans-59.5149.9169.6-66.3174.2000109.2
154P70.8Confident54.1Low106 Ų106142.3 Ų142.369%0.68881%0.806SS**PPolyproline II helixtrans-55.5143.4168.526.6-34.5000109L156P154-L156 PolarHBondContact O-N 2.93Å
155P69.1Low54.2Low124 Ų124143.2 Ų143.281%0.80581%0.805SS**PPolyproline II helixtrans-56.7132.5174.525.5-33.5000108.7
156L61.6Low55.1Low156 Ų156141.6 Ų141.682%0.81780%0.797SS**PPolyproline II helixtrans-59.1145.1172.8-64177.8000108.8P154 I158P154-L156 PolarHBondContact O-N 2.93Å; L156-I158 PolarHBondContact O-N 3.04Å; L156-I158 VanDerWaalsContact O-N 3.08Å
157P62Low55.3Low117 Ų117140.9 Ų140.976%0.7679%0.789SS**PPolyproline II helixtrans-56.9121173.924.9-33.2000108.6S159P157-S159 PolarHBondContact O-N 3.31Å; P157-S159 VanDerWaalsContact O-N 3.11Å
158I44.8Very low56.1Low160 Ų160140.1 Ų140.182%0.82179%0.791SS**  trans-63.1111.9168.935.9171.6000107.5L156 E160L156-I158 PolarHBondContact O-N 3.04Å; L156-I158 VanDerWaalsContact O-N 3.08Å; I158-E160 PolarHBondContact O-N 3.22Å
159S48.4Very low56.2Low121 Ų121133.3 Ų133.385%0.84678%0.78SS**  trans-62.1106168.2-55.90000108P157P157-S159 PolarHBondContact O-N 3.31Å; P157-S159 VanDerWaalsContact O-N 3.11Å
160E50Low57Low165 Ų165138.5 Ų138.577%0.77179%0.786SS**  trans-55.7142.3158.5-67.7-174.7128.900108I158 L162I158-E160 PolarHBondContact O-N 3.22Å; E160-L162 PolarHBondContact O-N 3Å
161A53.1Low56.9Low109 Ų109138.3 Ų138.390%0.90178%0.78SS**  trans-73.973.9-177.600000110.4S163A161-S163 PolarHBondContact O-N 3.11Å
162L46.4Very low56.1Low154 Ų154135.9 Ų135.981%0.80678%0.779SS**  trans-57.5135.8166-61.7-179.5000108.2E160 L164E160-L162 PolarHBondContact O-N 3Å; L162-L164 PolarHBondContact O-N 3.08Å
163S51.6Low54.9Low111 Ų111138.8 Ų138.878%0.77678%0.779SS**  trans-54.8129.417948.20000110.7A161 D165A161-S163 PolarHBondContact O-N 3.11Å; S163-D165 PolarHBondContact O-N 3.44Å
164L48.3Very low54Low148 Ų148139.6 Ų139.678%0.77578%0.784SS**  trans-56.9110.7169-179.168.4000108.8L162L162-L164 PolarHBondContact O-N 3.08Å
165D47.2Very low52.9Low134 Ų134140.5 Ų140.572%0.71779%0.787SS**  trans-90.4119.7167.2-164.415.2000107.4S163 T167S163-D165 PolarHBondContact O-N 3.44Å; D165-T167 PolarHBondContact O-N 3.08Å
166D54.7Low51.6Low128 Ų128140.2 Ų140.268%0.68479%0.788SS**SBendtrans-90.742.5-149.8-141.116.2000112
167T55.1Low51.2Low106 Ų106137.9 Ų137.965%0.6579%0.785SS**SBendtrans-134.821.5-159.8750000116.9D165D165-T167 PolarHBondContact O-N 3.08Å
168D57.7Low50.4Low161 Ų161139.7 Ų139.786%0.86179%0.788SS**  trans-152.946.5176-127.4-12.7000114.3
169C55Low50.7Low107 Ų107136.1 Ų136.172%0.72377%0.774SS**  trans-10657.2-174.261.50000114.4
170E59.3Low50.7Low177 Ų177137 Ų13783%0.82777%0.769SS**  trans-125.642.9-174.6-69-82-164.600113
171V56.3Low50.6Low111 Ų111138 Ų13867%0.67377%0.771SS**  trans-136.468.1175.6-165.80000111.6F173V171-F173 HydrophobicContact CG1-CD2 4.41Å; V171-F173 HydrophobicContact CG1-CE2 3.8Å; V171-F173 HydrophobicContact CG1-CZ 4.03Å; V171-F173 WeakPolarHBondContact O-CD2 3.48Å; V171-F173 PolarHBondContact O-N 3.33Å
172E52.3Low50.3Low184 Ų184141.5 Ų141.586%0.8677%0.774SS**  trans-74.7116.9171.6-66.6-164.3151.800111.6L174E172-L174 PolarHBondContact O-N 3.38Å
173F43.6Very low50.5Low181 Ų181142 Ų14279%0.79478%0.777SS**  trans-79.4106.1173-69.7-93.6000109.9V171 T175V171-F173 HydrophobicContact CG1-CD2 4.41Å; V171-F173 HydrophobicContact CG1-CE2 3.8Å; V171-F173 HydrophobicContact CG1-CZ 4.03Å; V171-F173 WeakPolarHBondContact O-CD2 3.48Å; V171-F173 PolarHBondContact O-N 3.33Å; F173-T175 VanDerWaalsContact C-N 3.29Å; F173-T175 PolarHBondContact O-N 3.13Å
174L47.8Very low49.9Very low172 Ų172145.4 Ų145.490%0.90178%0.78SS**  trans-62.678.4176.8-77.7166.4000112.9E172E172-L174 PolarHBondContact O-N 3.38Å
175T46Very low49.4Very low124 Ų124145.2 Ų145.276%0.76178%0.78SS**  trans-15467.2173.9-47.30000112.3F173F173-T175 VanDerWaalsContact C-N 3.29Å; F173-T175 PolarHBondContact O-N 3.13Å
176S42.5Very low48.8Very low118 Ų118144.9 Ų144.983%0.82579%0.788SS**SBendtrans-172.6156.9137-84.40000112.4
177S53.2Low47.9Very low108 Ų108145.1 Ų145.176%0.75580%0.795SS**  trans-37.4124.4172.949.50000116.6
178D45.9Very low47Very low154 Ų154148.6 Ų148.682%0.82481%0.808SS**  trans-125120137.8-171.114.5000107.7
179T50.5Low46.1Very low85 Ų85146.5 Ų146.552%0.52181%0.806SS.*  trans-139.5163.5-178.451.50000109.7
180D47.5Very low45.3Very low140 Ų140147.6 Ų147.675%0.74981%0.805SS**SBendtrans83.97157.7-45-51000119.8
181F47.6Very low44.1Very low186 Ų186148.6 Ų148.682%0.81681%0.807SS**  trans-124.529.3179.4-71.1-67.4000118.1
182L46.9Very low43.3Very low182 Ų182151.7 Ų151.795%0.95381%0.811SS**  trans-13056.3170.2-71.5177.1000112.4
183L50.5Low42.5Very low166 Ų166153.9 Ų153.987%0.86981%0.813SS**  trans-145.355.5-178.7-137.1179.2000113.9
184E40.2Very low42.1Very low182 Ų182152.7 Ų152.785%0.8582%0.815SS**SBendtrans-146.4140.4159.6-137.5161.4-162.500112.2
185D38.3Very low41.7Very low143 Ų143150.3 Ų150.377%0.76581%0.808SS**  trans39.892.3167.4-69.2-3.4000121.5
186S34.2Very low41.7Very low128 Ų128149.9 Ų149.990%0.89581%0.807SS**  trans-142.5123.9133.5-79.40000110.1
187T35.7Very low41.9Very low133 Ų133148 Ų14882%0.81681%0.807SS**  trans-77.1131.4-159.3530000114.7
188L36.3Very low41.2Very low178 Ų178154.7 Ų154.793%0.93282%0.815SS**  trans8.4120.5153.3-70.8169.8000118.2
189S38.9Very low41.1Very low117 Ų117158.5 Ų158.582%0.81882%0.818SS**  trans-122.7135.1152.8-173.20000108.7F191S189-F191 PolarHBondContact O-N 3.03Å
190D38.3Very low41Very low130 Ų130159.8 Ų159.870%0.69583%0.83SS**  trans-63.4122.1-169.3-99.9-69.8000113.1K192D190-K192 IonicContact OD1-NZ 3.57Å
191F32.7Very low40.8Very low199 Ų199162.7 Ų162.787%0.87384%0.837SS**  trans-135.2117.8153-117.5-89.6000110.5S189 Y193S189-F191 PolarHBondContact O-N 3.03Å; F191-Y193 PolarHBondContact O-N 2.93Å
192K40.5Very low41.2Very low175 Ų175165.8 Ų165.876%0.76184%0.843SS**  trans-69.5125.8-179.4-63.1-60.9-174.4-1570110.3D190D190-K192 IonicContact OD1-NZ 3.57Å
193Y34.3Very low41.5Very low231 Ų231159.7 Ų159.791%0.90682%0.824SS**  trans-80.9122.7160.2-93.5-99.1000109.7F191F191-Y193 PolarHBondContact O-N 2.93Å
194D37Very low41.8Very low155 Ų155157.8 Ų157.883%0.82982%0.823SS**  trans-140.8161.4152.9-158.11.7000109.5
195V39.3Very low42.7Very low123 Ų123152.6 Ų152.675%0.74582%0.819SS**  trans-106161.5-158.2166.50000109.8
196P45.1Very low44.2Very low114 Ų114155.4 Ų155.474%0.7483%0.827SS**  cis-121.7166.64.5186.6000115.8
197G46.8Very low45.9Very low80 Ų80154.4 Ų154.483%0.82581%0.811SS**  trans-64.6147.5-179.800000115.8
198R39.4Very low47.2Very low247 Ų247153.5 Ų153.593%0.93280%0.8SS**  trans-129.2157.2167.2-73.8-169175.4-85.3-2.7111.7
199R43.5Very low48.4Very low235 Ų235153.9 Ų153.989%0.88779%0.791SS**  trans-57.7151.5-172.1-65.9174.1169.4-144.9-3.7113.3F201R199-F201 PolarHBondContact O-N 3.28Å
200S47.6Very low49.5Very low111 Ų111152.2 Ų152.278%0.77678%0.784SS**  trans-52.7120.6175.344.20000113.3R202S200-R202 VanDerWaalsContact C-N 3.31Å; S200-R202 PolarHBondContact O-N 3.25Å
201F42.9Very low50Low202 Ų202155.8 Ų155.889%0.88679%0.79SS**  trans-85.565.8-177.4-144.8-88.6000111.8R199 G203R199-F201 PolarHBondContact O-N 3.28Å; F201-G203 VanDerWaalsContact C-N 3.34Å; F201-G203 PolarHBondContact O-N 2.86Å
202R57Low51.2Low251 Ų251153.3 Ų153.395%0.94778%0.778SS**  trans-66.792.6166.2-82.1-171.6175.8-112.93.5108.6S200S200-R202 VanDerWaalsContact C-N 3.31Å; S200-R202 PolarHBondContact O-N 3.25Å
203G52.6Low51.6Low53 Ų53152.2 Ų152.255%0.54678%0.781SS.*  trans-132.4-29-163.600000118.5F201F201-G203 VanDerWaalsContact C-N 3.34Å; F201-G203 PolarHBondContact O-N 2.86Å
204C57.5Low52.1Low126 Ų126146.7 Ų146.785%0.85177%0.772SS**  trans-161.8112.6178.643.50000112.3
205G59.4Low52.7Low74 Ų74144.8 Ų144.876%0.76377%0.768SS**PPolyproline II helixtrans-85.5135.1162.600000109.5I207G205-I207 PolarHBondContact O-N 3.14Å
206Q68.6Low52.7Low202 Ų202143.8 Ų143.894%0.94477%0.772SS**PPolyproline II helixtrans-65.3129.8170.1-73.2176.7-24.700109.5
207I70Confident52.4Low107 Ų107145.1 Ų145.155%0.54978%0.778SS.*PPolyproline II helixtrans-84.513917546.5160.3000110.2G205 F212G205-I207 PolarHBondContact O-N 3.14Å; I207-F212 HydrophobicContact CD1-CD2 4.47Å; I207-F212 HydrophobicContact CD1-CE2 3.66Å; I207-F212 HydrophobicContact CD1-CZ 4.36Å
208N63.2Low51.9Low113 Ų113145.9 Ų145.960%0.60477%0.771SS**PPolyproline II helixtrans-83.6116.7175-172.6-17.8000109.8A210 Y211N208-A210 PolarHBondContact O-N 2.98Å; N208-A210 VanDerWaalsContact O-N 3.1Å; N208-A210 WeakPolarHBondContact OD1-CB 3.45Å; N208-A210 PolarHBondContact OD1-N 3.33Å; N208-A210 VanDerWaalsContact OD1-N 3.07Å; N208-Y211 PolarHBondContact O-N 2.92Å
209Y61.3Low51.8Low186 Ų186139.7 Ų139.773%0.72977%0.772SS**G310 helixtrans-60.9-17.5-178.7-68.1-81.1000114.2Y211 F212Y209-Y211 PolarHBondContact O-N 3.38Å; Y209-F212 PolarHBondContact O-N 2.91Å
210A62.5Low51.9Low82 Ų82131.9 Ų131.968%0.67876%0.758SS**G310 helixtrans-61.7-11.2174.300000114.7N208N208-A210 PolarHBondContact O-N 2.98Å; N208-A210 VanDerWaalsContact O-N 3.1Å; N208-A210 WeakPolarHBondContact OD1-CB 3.45Å; N208-A210 PolarHBondContact OD1-N 3.33Å; N208-A210 VanDerWaalsContact OD1-N 3.07Å
211Y49.5Very low51.4Low206 Ų206133.8 Ų133.881%0.80876%0.759SS**G310 helixtrans-110.913.3178.5-83.5-84.7000114.4N208 Y209 D213N208-Y211 PolarHBondContact O-N 2.92Å; Y209-Y211 PolarHBondContact O-N 3.38Å; Y211-D213 PolarHBondContact O-N 2.92Å
212F57.1Low51.1Low146 Ų146132.9 Ų132.964%0.6476%0.763SS**  trans-82.792.2173.4-108.6-102.5000111.6I207 Y209 T214I207-F212 HydrophobicContact CD1-CD2 4.47Å; I207-F212 HydrophobicContact CD1-CE2 3.66Å; I207-F212 HydrophobicContact CD1-CZ 4.36Å; Y209-F212 PolarHBondContact O-N 2.91Å; F212-T214 PolarHBondContact O-N 2.85Å
213D49.7Very low50.2Low153 Ų153125.6 Ų125.682%0.81875%0.751SS**  trans-75.3104.7173.5-164.816.4000109.9Y211 P215Y211-D213 PolarHBondContact O-N 2.92Å; D213-P215 WeakPolarHBondContact O-CD 3.26Å
214T45Very low49.4Very low115 Ų115134 Ų13471%0.70677%0.767SS**  trans-71.1119.6-178.739.60000110.9F212 A216F212-T214 PolarHBondContact O-N 2.85Å; T214-A216 PolarHBondContact O-N 2.96Å; T214-A216 VanDerWaalsContact O-N 3.14Å
215P48.1Very low48Very low115 Ų115133.7 Ų133.775%0.74776%0.761SS**  trans-64.8118.7174.227.2-33.3000109.4D213 V217D213-P215 WeakPolarHBondContact O-CD 3.26Å; P215-V217 PolarHBondContact O-N 3.07Å
216A39.3Very low46.7Very low102 Ų102135.6 Ų135.684%0.84376%0.763SS**  trans-64.8105.2-179.200000110.7T214 S218T214-A216 PolarHBondContact O-N 2.96Å; T214-A216 VanDerWaalsContact O-N 3.14Å; A216-S218 PolarHBondContact O-N 3.44Å
217V39.2Very low44.9Very low141 Ų141133 Ų13386%0.85576%0.756SS**  trans-65.7113.6171.1179.50000107.9P215 A219P215-V217 PolarHBondContact O-N 3.07Å; V217-A219 PolarHBondContact O-N 3.48Å
218S35.6Very low43.5Very low97 Ų97136.3 Ų136.368%0.67877%0.769SS**  trans-63.6128.1176.251.60000110.4A216 A220A216-S218 PolarHBondContact O-N 3.44Å; S218-A220 PolarHBondContact O-N 2.93Å
219A39.1Very low41.9Very low117 Ų117139.3 Ų139.397%0.96779%0.785SS**SBendtrans-72.677.9176.300000111.6V217V217-A219 PolarHBondContact O-N 3.48Å
220A45.7Very low40.6Very low70 Ų70134.2 Ų134.258%0.57979%0.789SS**  trans-139.4156.6166.300000108.2S218S218-A220 PolarHBondContact O-N 2.93Å
221D36.6Very low39.1Very low151 Ų151134 Ų13481%0.80779%0.794SS**  trans59.153.1176.8-59.5-7.4000116.7
222L36.4Very low39Very low183 Ų183131.2 Ų131.296%0.95880%0.798SS**  trans-124.979149.7-77.9-179.1000110.3
223S37.1Very low38.3Very low99 Ų99129.7 Ų129.769%0.69280%0.803SS**  trans-135.555.3177.867.50000112.4
224Y35.7Very low37.9Very low229 Ų229128.4 Ų128.490%0.89880%0.796SS**  trans-127.8137165.4-91.3-75.8000112.9
225V28.9Very low38Very low120 Ų120128.5 Ų128.573%0.72780%0.799SS**  trans-54.4138.6-172.41770000112.5
226S32.2Very low37.9Very low114 Ų114129 Ų12980%0.79780%0.795SS**  trans-92105.5163.2176.10000109.3
227D30.9Very low38.5Very low148 Ų148129.8 Ų129.879%0.79179%0.792SS**  trans-96.6141.3166.7-101.2-48.4000110.9
228Q39.9Very low39Very low176 Ų176128.4 Ų128.482%0.82279%0.786SS**  trans-88.9138-178.3-62.9174.581.400110.7
229N31.2Very low39.8Very low176 Ų176129.3 Ų129.394%0.94179%0.789SS**  trans-170163.8132.9-106.1-63.4000112.7
230G34Very low40.2Very low79 Ų79129.7 Ų129.781%0.81478%0.782SS**  trans-75.2156.4-161.200000117.5
231G30.1Very low40.3Very low76 Ų76134 Ų13478%0.78479%0.79SS**  trans172.1123.9168.900000111.9
232V47.2Very low40.9Very low148 Ų148133.6 Ų133.690%0.89779%0.793SS**  trans-93.4127.4170.1173.20000108.7
233P43.6Very low41.4Very low114 Ų114132.5 Ų132.574%0.7478%0.783SS**  trans-145.3138.6138.434.2-17.7000115.7
234D40.6Very low42Very low127 Ų127138.5 Ų138.568%0.67979%0.79SS**  trans53.5129.7138.6-140.939.8000122.4N236D234-N236 PolarHBondContact O-N 2.99Å
235P46.6Very low42.9Very low117 Ų117139.5 Ų139.576%0.7679%0.792SS**SBendtrans-93.767.6-177.438.5-35.1000113.6
236N45.5Very low43.6Very low126 Ų126141 Ų14167%0.67480%0.796SS**  trans-140.9105.9175.1-79.8-69000113.2D234D234-N236 PolarHBondContact O-N 2.99Å
237P53.6Low44.8Very low118 Ų118146.7 Ų146.777%0.76680%0.8SS**PPolyproline II helixtrans-74.5134.7166.530.5-32.2000110.6
238P48.6Very low45.6Very low112 Ų112150.8 Ų150.873%0.72780%0.804SS**PPolyproline II helixtrans-70.7152.3-18029.3-35.2000112
239P51.8Low46.2Very low115 Ų115147.1 Ų147.175%0.74780%0.798SS**PPolyproline II helixtrans-64.3137176.127.2-34.4000110.9Q241P239-Q241 PolarHBondContact O-N 3.12Å
240P48.7Very low47.6Very low125 Ų125148.2 Ų148.281%0.81280%0.797SS**PPolyproline II helixtrans-63.2136.9-178.325.2-33.8000111.4
241Q47.2Very low48.7Very low160 Ų160149.5 Ų149.575%0.74879%0.793SS**PPolyproline II helixtrans-59.5140.1-174.1-66.8178.6-55.600112P239 H243P239-Q241 PolarHBondContact O-N 3.12Å; Q241-H243 PolarHBondContact O-CD2 2.68Å; Q241-H243 PolarHBondContact O-N 3.16Å
242T50.3Low50.2Low144 Ų144148.9 Ų148.988%0.88379%0.787SS**  trans-73.585.7177.953.70000111R244T242-R244 PolarHBondContact O-N 2.82Å
243H45.5Very low50.5Low160 Ų160148.3 Ų148.374%0.74179%0.786SS**  trans-61.4121.5-176.8-76.1-89.4000112.8Q241Q241-H243 PolarHBondContact O-CD2 2.68Å; Q241-H243 PolarHBondContact O-N 3.16Å
244R50.6Low50.8Low225 Ų225148.1 Ų148.185%0.84980%0.795SS**  trans55.591.7149.6-161.3176.2-167.7169.23116.1T242 L246T242-R244 PolarHBondContact O-N 2.82Å; R244-L246 PolarHBondContact O-N 3.3Å
245R54.1Low51.3Low249 Ų249145.7 Ų145.794%0.9480%0.799SS**  trans-51.897.7161.2-79.4178.4168.9164.8-4110.7R247R245-R247 PolarHBondContact O-N 3.16Å
246L44.3Very low51.3Low153 Ų153144.8 Ų144.880%0.80180%0.796SS**  trans-65.3116.3173.3-17269.7000108.8R244 R248R244-L246 PolarHBondContact O-N 3.3Å; L246-R248 PolarHBondContact O-N 2.94Å
247R55.7Low51.4Low232 Ų232148 Ų14888%0.87580%0.804SS**  trans-66.6123.1172.2-57.4-145.782.7-1624.6107.7R245 S249R245-R247 PolarHBondContact O-N 3.16Å; R247-S249 PolarHBondContact O-N 3.29Å
248R49.1Very low50.9Low235 Ų235149.6 Ų149.689%0.88781%0.806SS**  trans-64.9104.3174.4-67.4-175.1177.5-150-1.5108.6L246L246-R248 PolarHBondContact O-N 2.94Å
249S53Low51.3Low99 Ų99152.6 Ų152.669%0.69281%0.808SS**  trans-61.1133.616537.50000108.8R247 S251R247-S249 PolarHBondContact O-N 3.29Å; S249-S251 PolarHBondContact O-N 2.92Å
250H59.8Low51.2Low199 Ų199152.7 Ų152.792%0.92181%0.808SS**  trans-78.889-177.3-71.6-107000110.2
251S57.1Low50.8Low105 Ų105151.2 Ų151.273%0.73481%0.807SS**  trans-130.466172.963.30000111S249S249-S251 PolarHBondContact O-N 2.92Å
252G60.7Low50.6Low63 Ų63150.8 Ų150.865%0.64981%0.808SS**  trans-76.7164.2161.800000110.9A254G252-A254 PolarHBondContact O-N 3.38Å
253P54.6Low50.3Low137 Ų137155 Ų15589%0.8981%0.807SS**  trans-60.6118.3179.9-2334.2000112.1G255P253-G255 PolarHBondContact O-N 3.14Å
254A48.8Very low50Low110 Ų110154.8 Ų154.891%0.90981%0.81SS**  trans-81.1109.3173.300000109.5G252G252-A254 PolarHBondContact O-N 3.38Å
255G52.6Low49.3Very low75 Ų75149 Ų14977%0.77380%0.804SS**  trans159.330176.800000119.5P253P253-G255 PolarHBondContact O-N 3.14Å
256S45.5Very low48.6Very low99 Ų99144.5 Ų144.569%0.69280%0.799SS**  trans-118.269.3174.550.60000112.6N258S256-N258 PolarHBondContact O-N 3.35Å
257F47.5Very low47.9Very low193 Ų193143 Ų14385%0.84680%0.8SS**  trans-73.663.9174.8-97.5-76.6000112.7K259F257-K259 PolarHBondContact O-N 3.04Å
258N43.1Very low46.9Very low151 Ų151137.1 Ų137.181%0.80779%0.793SS**  trans-69.893.5168.6-75.4-14.1000109.6S256S256-N258 PolarHBondContact O-N 3.35Å
259K57.2Low46.1Very low175 Ų175133 Ų13376%0.76179%0.787SS**  trans-76.7126.1171.6-64.9-178.5-178.9179.60109.6F257 A261F257-K259 PolarHBondContact O-N 3.04Å; K259-A261 PolarHBondContact O-N 2.97Å
260P49.9Very low45.3Very low117 Ų117136.5 Ų136.576%0.7679%0.792SS**  trans-67.9118167.628.1-32.2000109.2I262P260-I262 PolarHBondContact O-N 2.91Å; P260-I262 VanDerWaalsContact O-N 3.14Å
261A39.4Very low44Very low94 Ų94139.4 Ų139.478%0.77780%0.795SS**  trans-73.4102.9173.800000109.6K259 R263K259-A261 PolarHBondContact O-N 2.97Å; A261-R263 PolarHBondContact O-N 3.47Å; A261-R263 VanDerWaalsContact O-N 3.11Å
262I44.8Very low42.9Very low151 Ų151138.7 Ų138.777%0.77480%0.796SS**  trans-66.6110.6173.2-60.8178.2000108P260 I264P260-I262 PolarHBondContact O-N 2.91Å; P260-I262 VanDerWaalsContact O-N 3.14Å; I262-I264 PolarHBondContact O-N 3.04Å
263R44Very low41.8Very low232 Ų232141.5 Ų141.588%0.87581%0.805SS**  trans-72112.9173.3-73.5-171.6-78.2-148.4-2.4109.2A261A261-R263 PolarHBondContact O-N 3.47Å; A261-R263 VanDerWaalsContact O-N 3.11Å
264I38.3Very low41.7Very low156 Ų156140 Ų14080%0.880%0.796SS**  trans-91.9108.9163.3-57.9177.7000106.7I262I262-I264 PolarHBondContact O-N 3.04Å
265S35.1Very low41.2Very low104 Ų104142.1 Ų142.173%0.72779%0.792SS**  trans-117.4126.4174.950.50000109.4
266N41.3Very low40.7Very low155 Ų155143.9 Ų143.983%0.82979%0.792SS**  trans-63.5134.2-167.3-63.52.6000114.5
267C28.1Very low41.1Very low122 Ų122146 Ų14682%0.82480%0.796SS**  trans-172.8136.5154.7-102.50000106.6
268C34.9Very low41.3Very low107 Ų107145.8 Ų145.872%0.72380%0.797SS**  cis-143.6145.110.8-72.60000113
269I33.6Very low41.9Very low148 Ų148145.7 Ų145.776%0.75980%0.797SS**  39.2113.6128.1-57.7177000120.1
270H34.8Very low42Very low174 Ų174146.1 Ų146.181%0.80680%0.799SS**  trans24.5119.4141.8-56.7-99.1000121.9
271R33.3Very low42.1Very low259 Ų259145.6 Ų145.698%0.97780%0.795SS**  -167.8-177.7116.3-105.9174.3-176.8-168.40.8111.4
272A34.5Very low43.1Very low91 Ų91150.2 Ų150.275%0.75280%0.801SS**  trans-137.4-179.2-15800000114.8
273S36.1Very low44Very low121 Ų121148.2 Ų148.285%0.84679%0.791SS**  trans92.9159.3167.981.70000117.6
274P53.3Low44.6Very low106 Ų106141.9 Ų141.969%0.68878%0.779SS**  trans-120.9-175.2-149.544.6-35.1000116.8
275N37.1Very low45.9Very low154 Ų154140.4 Ų140.482%0.82478%0.78SS**  trans118.2159.5159.6-60.9-40.8000115.7
276S42.1Very low47.3Very low112 Ų112145.2 Ų145.278%0.78378%0.782SS**  trans64.2116.9-160.9-130.70000112.1
277D55.2Low48.2Very low145 Ų145143.7 Ų143.778%0.77578%0.778SS**  cis65.1150.616.3-142.23.3000116
278E51.5Low50Low187 Ų187143.4 Ų143.487%0.87478%0.775SS**  trans67.446.3-171-58-160.9143.600117.8
279D56Low51.2Low149 Ų149145.6 Ų145.680%0.79778%0.778SS**  trans-155117.6133.4-173.917.7000111.5
280K58.4Low52.6Low185 Ų185143.5 Ų143.580%0.80477%0.774SS**  trans-147.4120.9166.6-86.5-179.1-177.1157.50109.4
281P53.3Low54.3Low106 Ų106141.2 Ų141.269%0.68877%0.774SS**  trans-64.7138.5169.527.4-33.8000110.2I283P281-I283 PolarHBondContact O-N 3.15Å; P281-I283 VanDerWaalsContact O-N 3.11Å
282E59.8Low55.5Low191 Ų191139.9 Ų139.989%0.89377%0.77SS**  trans-61.7112.6179.2-170.2-179.6164.700110.4P284E282-P284 WeakPolarHBondContact O-CD 3.43Å
283I62.5Low56.7Low109 Ų109141.2 Ų141.256%0.55977%0.771SS**  trans-86.1114.5178.2-55.3178.6000107.6P281P281-I283 PolarHBondContact O-N 3.15Å; P281-I283 VanDerWaalsContact O-N 3.11Å
284P57.8Low57.8Low98 Ų98142.1 Ų142.164%0.63677%0.771SS**  trans-59.5144177.224.7-33.9000110.3E282 R286E282-P284 WeakPolarHBondContact O-CD 3.43Å; P284-R286 PolarHBondContact O-N 3.47Å
285P64.8Low58.1Low126 Ų126145.7 Ų145.782%0.81878%0.775SS**  trans-58.8115.2-168.621.6-33.2000111.3V287P285-V287 PolarHBondContact O-N 3.3Å; P285-V287 VanDerWaalsContact O-N 3.16Å
286R65Low59Low204 Ų204143 Ų14377%0.7777%0.766SS**PPolyproline II helixtrans-64.5116.4178.9-70.5-174.9173.5107.3-0.1109.3P284P284-R286 PolarHBondContact O-N 3.47Å
287V59.7Low59.5Low123 Ų123144.1 Ų144.175%0.74576%0.763SS**PPolyproline II helixtrans-51.9132.5172.8-177.10000109.3P285 I289P285-V287 PolarHBondContact O-N 3.3Å; P285-V287 VanDerWaalsContact O-N 3.16Å; V287-I289 PolarHBondContact O-N 2.93Å; V287-I289 VanDerWaalsContact O-N 3.16Å
288P65.9Low59.3Low117 Ų117147.1 Ų147.176%0.7677%0.765SS**PPolyproline II helixtrans-55.9121178.4-2735.4000111.5P290P288-P290 WeakPolarHBondContact O-CD 3.46Å
289I61.5Low59.4Low153 Ų153149.1 Ų149.179%0.78577%0.765SS**PPolyproline II helixtrans-71.5120.6178.2-57.3174.6000107.7V287V287-I289 PolarHBondContact O-N 2.93Å; V287-I289 VanDerWaalsContact O-N 3.16Å
290P61.4Low59.2Low103 Ų103153.3 Ų153.367%0.66977%0.769SS**PPolyproline II helixtrans-62.9144.8177.126.1-33.7000110.4P288 R292P288-P290 WeakPolarHBondContact O-CD 3.46Å; P290-R292 PolarHBondContact O-N 3.14Å
291P70.3Confident58.6Low126 Ų126155.9 Ų155.982%0.81877%0.774SS**PPolyproline II helixtrans-60129.8-177.824.7-33.6000110.5
292R60.2Low58.5Low232 Ų232156.5 Ų156.588%0.87578%0.781SS**PPolyproline II helixtrans-62.1130.5177.3-75.8177.6-77.9156.1-3.7109.1P290 V294P290-R292 PolarHBondContact O-N 3.14Å; R292-V294 PolarHBondContact O-N 3.13Å
293P59.3Low57.9Low119 Ų119151.3 Ų151.377%0.77377%0.771SS**PPolyproline II helixtrans-60.3135175.425.2-33.4000109.8K295P293-K295 PolarHBondContact O-N 3.05Å
294V59.5Low57Low140 Ų140156 Ų15685%0.84879%0.79SS**PPolyproline II helixtrans-63.8126.1176.9-171.50000107.9R292R292-V294 PolarHBondContact O-N 3.13Å
295K58.3Low56.4Low181 Ų181157.1 Ų157.179%0.78780%0.795SS**PPolyproline II helixtrans-64.1134.8175.1-77.5-175.4173.1-176.70109.1P293 D297P293-K295 PolarHBondContact O-N 3.05Å; K295-D297 PolarHBondContact O-N 3.4Å
296P56.9Low55.5Low96 Ų96157.4 Ų157.462%0.62379%0.794SS**PPolyproline II helixtrans-57.4129.3161.6-21.433.2000109.3Y298P296-Y298 HydrophobicContact CB-CE2 4.4Å; P296-Y298 WeakPolarHBondContact O-CD2 3.41Å; P296-Y298 PolarHBondContact O-N 3.4Å
297D51.5Low54.5Low137 Ų137153.7 Ų153.773%0.73380%0.8SS**  trans-72.197.9177-88.9-50.4000110.6K295 R299K295-D297 PolarHBondContact O-N 3.4Å; D297-R299 PolarHBondContact O-N 2.7Å
298Y50.9Low53.8Low208 Ų208153.3 Ų153.382%0.81680%0.803SS**THydrogen-bonded Turntrans-67.633.3166.8-75-89.5000112.7P296P296-Y298 HydrophobicContact CB-CE2 4.4Å; P296-Y298 WeakPolarHBondContact O-CD2 3.41Å; P296-Y298 PolarHBondContact O-N 3.4Å
299R54.6Low53.3Low228 Ų228153.8 Ų153.886%0.8680%0.804SS**THydrogen-bonded Turntrans-102.98.1174-71.9-77.3-107.7-151.7-6.2112.3D297 W301D297-R299 PolarHBondContact O-N 2.7Å; R299-W301 PolarHBondContact O-N 3.44Å
300R51.7Low52.4Low237 Ų237157.1 Ų157.189%0.89481%0.808SS**  trans-94.369.8167.9-88-176.1161.1-115.4-0.6111.9
301W46.1Very low52.2Low240 Ų240157.3 Ų157.391%0.90981%0.811SS**  trans-111.982.5158.4-81-14.6000109.5R299R299-W301 PolarHBondContact O-N 3.44Å
302S51.5Low51.5Low118 Ų118155.5 Ų155.583%0.82580%0.795SS**SBendtrans-162.2118.6163.1-79.30000110.3
303A46.3Very low51.4Low82 Ų82153.4 Ų153.468%0.67880%0.795SS**  trans38.889.9151.300000117.8V305A303-V305 HydrophobicContact CB-CB 4.24Å; A303-V305 HydrophobicContact CB-CG2 3.79Å; A303-V305 PolarHBondContact O-N 3.5Å
304E44Very low51.6Low209 Ų209155.2 Ų155.298%0.97780%0.798SS**  trans-71.988.2133.5-74.2178-13000107.8
305V45.4Very low51.8Low121 Ų121156 Ų15673%0.73379%0.786SS**  trans-118.9125.3169.61720000107.1A303A303-V305 HydrophobicContact CB-CB 4.24Å; A303-V305 HydrophobicContact CB-CG2 3.79Å; A303-V305 PolarHBondContact O-N 3.5Å
306T44.7Very low52.3Low131 Ų131152.4 Ų152.480%0.80478%0.782SS**  trans-65.2136.6-176.138.50000111.5S308T306-S308 PolarHBondContact O-N 2.84Å; T306-S308 VanDerWaalsContact O-N 3.17Å
307S45.5Very low52.8Low127 Ų127153 Ų15389%0.88879%0.786SS**  trans-62.1113.8172.352.10000110.6
308S44.1Very low53.3Low115 Ų115154.2 Ų154.280%0.80478%0.784SS**  trans-128.1120.5166.4-1710000109.1T306T306-S308 PolarHBondContact O-N 2.84Å; T306-S308 VanDerWaalsContact O-N 3.17Å
309T55.8Low54Low127 Ų127148 Ų14878%0.77977%0.768SS**  trans-76.5123.2-179.448.60000111
310Y43.1Very low54.7Low223 Ų223142 Ų14288%0.87576%0.758SS**  -173.8157.8127.5-120.6-103.2000111.6
311S56.7Low55.4Low106 Ų106136.6 Ų136.674%0.74175%0.754SS**  trans-64.6124.6-172.5165.30000116.2
312D55.7Low56.6Low89 Ų89135 Ų13548%0.47675%0.748SS.*  trans-151.141.3155.4-158.229.9000112.7D314 R315D312-D314 VanDerWaalsContact C-N 3.29Å; D312-D314 PolarHBondContact O-N 2.9Å; D312-R315 VanDerWaalsContact OD1-CD 3.22Å; D312-R315 WeakPolarHBondContact OD1-CD 3.45Å; D312-R315 IonicContact OD1-CZ 3.67Å; D312-R315 IonicContact OD1-NE 3.6Å; D312-R315 IonicContact OD1-NH1 2.79Å; D312-R315 PolarHBondContact OD1-NH1 3.35Å; D312-R315 IonicContact OD2-NH1 2.8Å
313E58.3Low57.3Low187 Ų187137.3 Ų137.387%0.87475%0.745SS**THydrogen-bonded Turntrans-77.36.7-168.8-60.8-60.815200116.3
314D62.9Low58.2Low157 Ų157139.5 Ų139.584%0.8475%0.753SS**THydrogen-bonded Turntrans-129.940.7176.7-166.628.3000112.4D312D312-D314 VanDerWaalsContact C-N 3.29Å; D312-D314 PolarHBondContact O-N 2.9Å
315R63.6Low58.8Low156 Ų156137.3 Ų137.359%0.58975%0.747SS**SBendtrans-130.6119169.8-69.6-170173.9150-7.8110.1D312D312-R315 VanDerWaalsContact OD1-CD 3.22Å; D312-R315 WeakPolarHBondContact OD1-CD 3.45Å; D312-R315 IonicContact OD1-CZ 3.67Å; D312-R315 IonicContact OD1-NE 3.6Å; D312-R315 IonicContact OD1-NH1 2.79Å; D312-R315 PolarHBondContact OD1-NH1 3.35Å; D312-R315 IonicContact OD2-NH1 2.8Å
316P68.6Low59.4Low107 Ų107136.6 Ų136.670%0.69575%0.747SS**  trans-58140.1170.925.2-33.1000108.8K318P316-K318 PolarHBondContact O-N 3.48Å
317P67.5Low59.9Low109 Ų109136.4 Ų136.471%0.70875%0.748SS**  trans-56.8140.8-174.322.3-33.4000110V319P317-V319 PolarHBondContact O-N 3.22Å
318K63.3Low60.3Low162 Ų162135.3 Ų135.370%0.70474%0.741SS**  trans-70.780175.8-87.762.4175.6179.60108.9P316 P320P316-K318 PolarHBondContact O-N 3.48Å; K318-P320 WeakPolarHBondContact O-CD 3.49Å
319V64.6Low61Low78 Ų78137.7 Ų137.747%0.47374%0.744SS.*  trans-58.2125.6164.9-169.20000106.2P317P317-V319 PolarHBondContact O-N 3.22Å
320P69.7Low61.1Low101 Ų101134.5 Ų134.566%0.65673%0.727SS**  trans-51.5144.4171.2-26.134.9000109.7K318 R322K318-P320 WeakPolarHBondContact O-CD 3.49Å; P320-R322 PolarHBondContact O-N 3.06Å
321P67.1Low62.1Low124 Ų124136 Ų13681%0.80573%0.731SS**  trans-54.5114.6177.823.5-33.1000108.1E323P321-E323 PolarHBondContact O-N 3.1Å
322R69.3Low62.1Low207 Ų207135.4 Ų135.478%0.78172%0.723SS**  trans-67.1106175.8-70.4-173.7177.6100.7-1.2106.3P320P320-R322 PolarHBondContact O-N 3.06Å
323E68.3Low62.1Low166 Ų166137.4 Ų137.478%0.77674%0.741SS**  trans-46.2134.9166.7-64.1179.4164.400108.2P321 L325P321-E323 PolarHBondContact O-N 3.1Å; E323-L325 PolarHBondContact O-N 3.13Å
324P63.8Low62Low128 Ų128131.5 Ų131.583%0.83172%0.72SS**  trans-59.3109.6-178.824.4-33000108S326P324-S326 PolarHBondContact O-N 3.19Å
325L56.3Low62.1Low163 Ų163130.4 Ų130.485%0.85372%0.722SS**  trans-54.6116.4-169.9-68.7174.9000109.4E323E323-L325 PolarHBondContact O-N 3.13Å
326S57.7Low62.4Low105 Ų105131.7 Ų131.773%0.73473%0.732SS**  trans-55139.7177.649.30000109.7P324 S328P324-S326 PolarHBondContact O-N 3.19Å; S326-S328 PolarHBondContact O-N 2.87Å
327P56.7Low63.1Low127 Ų127132 Ų13283%0.82574%0.737SS**SBendtrans-6297.5-159.320.4-33000113.2N329P327-N329 PolarHBondContact O-N 2.88Å
328S52.8Low64.2Low105 Ų105133.8 Ų133.873%0.73474%0.74SS**  trans21.777.1167.1-162.20000116.5S326 S330S326-S328 PolarHBondContact O-N 2.87Å; S328-S330 PolarHBondContact O-N 2.86Å
329N59.1Low65.5Low164 Ų164130 Ų13088%0.87773%0.731SS**  trans-7473.3159.4-116.4-43.3000109.3P327 R331P327-N329 PolarHBondContact O-N 2.88Å; N329-R331 PolarHBondContact O-N 3.43Å
330S57.5Low66.8Low60 Ų60132.2 Ų132.242%0.4275%0.75SS.*  trans-60.2106.8-174.5178.30000111.5S328 T332S328-S330 PolarHBondContact O-N 2.86Å; S330-T332 PolarHBondContact O-N 2.88Å; S330-T332 PolarHBondContact OG-O 3.07Å; S330-T332 PolarHBondContact OG-OG1 3.23Å
331R64.4Low68Low254 Ų254131 Ų13196%0.95873%0.733SS**SBendtrans-72.30.6176.3-75.9-175171178.8-2.2114.6N329N329-R331 PolarHBondContact O-N 3.43Å
332T57.5Low69.2Low95 Ų95132.1 Ų132.158%0.58373%0.732SS**SBendtrans-106.3134.5163.452.60000110S330 S334S330-T332 PolarHBondContact O-N 2.88Å; S330-T332 PolarHBondContact OG-O 3.07Å; S330-T332 PolarHBondContact OG-OG1 3.23Å; T332-S334 VanDerWaalsContact C-N 3.31Å; T332-S334 PolarHBondContact O-N 2.73Å
333P55.4Low70.4Confident130 Ų130129.4 Ų129.484%0.84473%0.733SS**  trans-7190172.830.1-33.4000108.9
334S56.8Low71.6Confident63 Ų63124.3 Ų124.344%0.44172%0.724SS.*  trans-62.4139.4174.6-730000109.7T332 K336 S337T332-S334 VanDerWaalsContact C-N 3.31Å; T332-S334 PolarHBondContact O-N 2.73Å; S334-K336 PolarHBondContact O-N 3.4Å; S334-S337 PolarHBondContact O-N 2.8Å
335P63.4Low73.1Confident135 Ų135123.3 Ų123.388%0.87772%0.716SS**SBendtrans-73.429.4-176.132.2-37.9000113.7
336K70.9Confident75.1Confident182 Ų182121.9 Ų121.979%0.79171%0.706SS**  trans-143.343.9-179.1-63.3-172.2178-175.50109.9S334 L338S334-K336 PolarHBondContact O-N 3.4Å; K336-L338 PolarHBondContact O-N 2.8Å
337S82.9Confident76.9Confident114 Ų114119.6 Ų119.680%0.79769%0.689SS**  trans-74.268.1178.859.70000111.5S334S334-S337 PolarHBondContact O-N 2.8Å
338L90.6Very high78.8Confident147 Ų147120.1 Ų120.177%0.7769%0.692SS**  trans-72.1150.7166.7-61.4179000109.6K336K336-L338 PolarHBondContact O-N 2.8Å
339P90.9Very high80.9Confident82 Ų82120.8 Ų120.853%0.53269%0.692SS.*  trans-68.4132.4175.528.9-34.4000111.1Y341P339-Y341 HydrophobicContact CB-CD2 4.38Å; P339-Y341 HydrophobicContact CB-CE1 4.2Å; P339-Y341 HydrophobicContact CB-CE2 3.72Å; P339-Y341 HydrophobicContact CG-CD2 4.35Å; P339-Y341 HydrophobicContact CG-CE2 3.62Å; P339-Y341 PolarHBondContact O-N 3.38Å
340S91.8Very high82.6Confident124 Ų124119 Ų11987%0.86768%0.678SS**  trans-88.6103.5177.2-61.50000110.6
341Y94.8Very high84.4Confident77 Ų77120.7 Ų120.730%0.30269%0.69SS.*  trans-108.4142.5175.1-60.5-51.2000111.8P339 N343 G344 V345 M346 P347P339-Y341 HydrophobicContact CB-CD2 4.38Å; P339-Y341 HydrophobicContact CB-CE1 4.2Å; P339-Y341 HydrophobicContact CB-CE2 3.72Å; P339-Y341 HydrophobicContact CG-CD2 4.35Å; P339-Y341 HydrophobicContact CG-CE2 3.62Å; P339-Y341 PolarHBondContact O-N 3.38Å; Y341-N343 PolarHBondContact O-N 2.87Å; Y341-G344 PolarHBondContact O-N 3.2Å; Y341-V345 WeakPolarHBondContact CB-O 3.12Å; Y341-M346 HydrophobicContact CD2-CB 4.44Å; Y341-M346 HydrophobicContact CE1-CG 4.49Å; Y341-M346 HydrophobicContact CE2-CB 4.13Å; Y341-M346 HydrophobicContact CE2-CG 4.09Å; Y341-P347 HydrophobicContact CE1-CG 4.36Å
342L93.1Very high85.9Confident147 Ų147114 Ų11477%0.7767%0.668SS**G310 helixtrans-62.8125171.2-179.762000109.1G344 V345L342-G344 PolarHBondContact O-N 2.77Å; L342-V345 PolarHBondContact O-N 2.73Å
343N93.6Very high87.6Confident150 Ų150112.4 Ų112.480%0.80267%0.665SS**G310 helixtrans52.420.6-175.9-56.5-8.3000114.4Y341 V345Y341-N343 PolarHBondContact O-N 2.87Å; N343-V345 VanDerWaalsContact C-N 3.26Å; N343-V345 HydrophobicContact CB-CG2 4.46Å; N343-V345 PolarHBondContact O-N 3.33Å
344G93.6Very high89.4Confident58 Ų58112 Ų11260%0.59866%0.663SS**G310 helixtrans76.70.3-175.300000115.7Y341 L342 M346Y341-G344 PolarHBondContact O-N 3.2Å; L342-G344 PolarHBondContact O-N 2.77Å; G344-M346 PolarHBondContact O-N 3.27Å
345V95.9Very high91.2Very high108 Ų108111.3 Ų111.366%0.65565%0.654SS**  trans-78.6115.7-174.3-176.70000111.2Y341 L342 N343Y341-V345 WeakPolarHBondContact CB-O 3.12Å; L342-V345 PolarHBondContact O-N 2.73Å; N343-V345 VanDerWaalsContact C-N 3.26Å; N343-V345 HydrophobicContact CB-CG2 4.46Å; N343-V345 PolarHBondContact O-N 3.33Å
346M96.8Very high92.5Very high132 Ų132109.6 Ų109.665%0.6564%0.643SS**  trans-73.1135.3176.1-171.4-177.972.100111Y341 G344Y341-M346 HydrophobicContact CD2-CB 4.44Å; Y341-M346 HydrophobicContact CE1-CG 4.49Å; Y341-M346 HydrophobicContact CE2-CB 4.13Å; Y341-M346 HydrophobicContact CE2-CG 4.09Å; G344-M346 PolarHBondContact O-N 3.27Å
347P96.3Very high93.7Very high58 Ų58108.7 Ų108.738%0.37764%0.639SS.*  trans-70.6155.2173.330.6-35.7000111.6Y341 T349Y341-P347 HydrophobicContact CE1-CG 4.36Å; P347-T349 PolarHBondContact O-N 2.83Å; P347-T349 VanDerWaalsContact O-N 3.13Å
348P97.1Very high94.2Very high137 Ų137110.4 Ų110.489%0.8963%0.629SS**SBendtrans-60.4-24.4179.7-25.734.9000114.8
349T95.9Very high94.3Very high119 Ų119106.1 Ų106.173%0.7361%0.609SS**  trans-144.5156.4174.961.40000111.1P347P347-T349 PolarHBondContact O-N 2.83Å; P347-T349 VanDerWaalsContact O-N 3.13Å
350Q95.7Very high94.2Very high126 Ų126105.8 Ų105.859%0.58961%0.608SS**  trans-123.9126.6167.2178.4176.3-30.600108.4
351S95.1Very high93.6Very high97 Ų97104 Ų10468%0.67860%0.596SS**  trans-79.3138.3-178.9-172.80000112.1A353S351-A353 WeakPolarHBondContact OG-CB 3.18Å; S351-A353 PolarHBondContact OG-N 3.24Å; S351-A353 VanDerWaalsContact OG-N 3.16Å
352F95.9Very high92.5Very high113 Ų113108.1 Ų108.150%0.49662%0.615SS.*  trans-107.37.5168.6-67.2-92000112.1D355 Y358F352-D355 WeakPolarHBondContact O-CB 3.48Å; F352-D355 PolarHBondContact O-N 3.12Å; F352-Y358 HydrophobicContact CB-CD2 3.69Å; F352-Y358 HydrophobicContact CB-CE2 4.49Å; F352-Y358 HydrophobicContact CB-CG 3.81Å; F352-Y358 HydrophobicContact CD1-CD2 4.19Å; F352-Y358 HydrophobicContact CD1-CE2 4.17Å; F352-Y358 HydrophobicContact CG-CD2 4.1Å; F352-Y358 HydrophobicContact CG-CG 4.18Å
353A93.3Very high91.3Very high62 Ų62103.6 Ų103.651%0.51260%0.599SS.*THydrogen-bonded Turntrans-67.3141.2178.700000111.4S351 V359S351-A353 WeakPolarHBondContact OG-CB 3.18Å; S351-A353 PolarHBondContact OG-N 3.24Å; S351-A353 VanDerWaalsContact OG-N 3.16Å; A353-V359 HydrophobicContact CB-CG2 3.65Å
354P93.2Very high89.7Confident122 Ų122102.2 Ų102.279%0.79259%0.591SS**THydrogen-bonded Turncis-98.1249.139.2-36.7000115.3P356P354-P356 WeakPolarHBondContact O-CD 3.29Å; P354-P356 VanDerWaalsContact O-N 3.17Å
355D94.9Very high88.1Confident47 Ų47106.8 Ų106.825%0.25160%0.597SS.*  trans-62117.5-177-175.3-18.6000111.1F352 K357 Y358 V359F352-D355 WeakPolarHBondContact O-CB 3.48Å; F352-D355 PolarHBondContact O-N 3.12Å; D355-K357 PolarHBondContact O-N 3.28Å; D355-K357 VanDerWaalsContact O-N 3.08Å; D355-K357 WeakPolarHBondContact OD1-CB 3.43Å; D355-K357 VanDerWaalsContact OD1-CG 3.25Å; D355-K357 WeakPolarHBondContact OD1-CG 3.45Å; D355-K357 PolarHBondContact OD1-N 3.08Å; D355-K357 IonicContact OD1-NZ 2.73Å; D355-K357 IonicContact OD2-NZ 2.77Å; D355-K357 PolarHBondContact OD2-NZ 3.3Å; D355-Y358 HydrophobicContact CB-CD2 4.06Å; D355-Y358 PolarHBondContact O-N 3Å; D355-V359 PolarHBondContact O-N 2.98Å
356P91Very high86.3Confident100 Ų100107 Ų10765%0.64959%0.586SS**THydrogen-bonded Turntrans-68.1-6.3-176.529.6-37.2000114.4P354 Y358P354-P356 WeakPolarHBondContact O-CD 3.29Å; P354-P356 VanDerWaalsContact O-N 3.17Å; P356-Y358 VanDerWaalsContact C-N 3.29Å
357K94.5Very high84.5Confident163 Ų163108.3 Ų108.371%0.70959%0.591SS**THydrogen-bonded Turntrans-68.1-30.5167.5-62.7174.8-149.6118.70112.6D355D355-K357 PolarHBondContact O-N 3.28Å; D355-K357 VanDerWaalsContact O-N 3.08Å; D355-K357 WeakPolarHBondContact OD1-CB 3.43Å; D355-K357 VanDerWaalsContact OD1-CG 3.25Å; D355-K357 WeakPolarHBondContact OD1-CG 3.45Å; D355-K357 PolarHBondContact OD1-N 3.08Å; D355-K357 IonicContact OD1-NZ 2.73Å; D355-K357 IonicContact OD2-NZ 2.77Å; D355-K357 PolarHBondContact OD2-NZ 3.3Å
358Y94.2Very high82.5Confident149 Ų149112.2 Ų112.258%0.58461%0.608SS**THydrogen-bonded Turntrans-113.8-28.3-175-54.6-75.4000112F352 D355 P356F352-Y358 HydrophobicContact CB-CD2 3.69Å; F352-Y358 HydrophobicContact CB-CE2 4.49Å; F352-Y358 HydrophobicContact CB-CG 3.81Å; F352-Y358 HydrophobicContact CD1-CD2 4.19Å; F352-Y358 HydrophobicContact CD1-CE2 4.17Å; F352-Y358 HydrophobicContact CG-CD2 4.1Å; F352-Y358 HydrophobicContact CG-CG 4.18Å; D355-Y358 HydrophobicContact CB-CD2 4.06Å; D355-Y358 PolarHBondContact O-N 3Å; P356-Y358 VanDerWaalsContact C-N 3.29Å
359V93.3Very high80.5Confident58 Ų58108.1 Ų108.135%0.35258%0.583SS.*SBendtrans-89.6110.8175.5-178.50000110.6A353 D355 S361A353-V359 HydrophobicContact CB-CG2 3.65Å; D355-V359 PolarHBondContact O-N 2.98Å; V359-S361 PolarHBondContact O-N 3.28Å; V359-S361 VanDerWaalsContact O-N 3.08Å
360S87.7Confident78.4Confident74 Ų74112.4 Ų112.452%0.51760%0.595SS.*  trans-68104.8172.4-179.40000111.2K362 A363S360-K362 PolarHBondContact O-N 3.22Å; S360-A363 WeakPolarHBondContact O-CB 3.38Å; S360-A363 PolarHBondContact O-N 3.13Å
361S79.7Confident76.4Confident87 Ų87109.6 Ų109.661%0.60860%0.6SS**Hα-helixtrans-55.5-27.3176.9-330000112.9V359 A363V359-S361 PolarHBondContact O-N 3.28Å; V359-S361 VanDerWaalsContact O-N 3.08Å; S361-A363 VanDerWaalsContact C-N 3.3Å; S361-A363 PolarHBondContact O-N 3.03Å
362K71.9Confident74.4Confident163 Ų163106.2 Ų106.271%0.70958%0.576SS**Hα-helixtrans-72.3-18177.7-64.4179.4-179.4175.70113.4S360 R366S360-K362 PolarHBondContact O-N 3.22Å; K362-R366 WeakPolarHBondContact O-CG 3.18Å
363A67.1Low72.4Confident53 Ų53104.3 Ų104.344%0.43858%0.581SS.*Hα-helixtrans-74.5-50.6176.200000111.2S360 S361 Q365 R366 Q367S360-A363 WeakPolarHBondContact O-CB 3.38Å; S360-A363 PolarHBondContact O-N 3.13Å; S361-A363 VanDerWaalsContact C-N 3.3Å; S361-A363 PolarHBondContact O-N 3.03Å; A363-Q365 VanDerWaalsContact C-N 3.27Å; A363-Q365 PolarHBondContact O-N 2.76Å; A363-R366 PolarHBondContact O-N 3.28Å; A363-Q367 PolarHBondContact O-N 3.11Å
364L60.4Low70.6Confident120 Ų120107.8 Ų107.863%0.62859%0.591SS**Hα-helixtrans-59.1-37.3179.1-174.765.6000112.4R366 N368L364-R366 VanDerWaalsContact C-N 3.34Å; L364-R366 PolarHBondContact O-N 3.24Å; L364-N368 PolarHBondContact O-ND2 3.14Å
365Q60.4Low69.3Low154 Ų154108.3 Ų108.372%0.7258%0.581SS**Hα-helixtrans-70.9-26.5177.2-166.3170.814.100113.2A363A363-Q365 VanDerWaalsContact C-N 3.27Å; A363-Q365 PolarHBondContact O-N 2.76Å
366R58.6Low68.5Low112 Ų112110.9 Ų110.942%0.42360%0.598SS.*Hα-helixtrans-74.5-40.5180-82.4173.9167.3-141.22.5113K362 A363 L364 N368 S369 S372 K375K362-R366 WeakPolarHBondContact O-CG 3.18Å; A363-R366 PolarHBondContact O-N 3.28Å; L364-R366 VanDerWaalsContact C-N 3.34Å; L364-R366 PolarHBondContact O-N 3.24Å; R366-N368 PolarHBondContact O-N 2.84Å; R366-S369 PolarHBondContact O-N 3.14Å; R366-S369 PolarHBondContact O-OG 3.01Å; R366-S372 PolarHBondContact O-OG 3Å; R366-K375 PolarHBondContact NH1-O 2.76Å
367Q57.9Low68.4Low161 Ų161109.3 Ų109.375%0.75259%0.588SS**Hα-helixtrans-57.6-25.9-179-67.1-173.7-75.900113.3A363 S369A363-Q367 PolarHBondContact O-N 3.11Å; Q367-S369 VanDerWaalsContact C-N 3.31Å; Q367-S369 PolarHBondContact O-N 3.01Å
368N54.6Low68.2Low139 Ų139102 Ų10274%0.74356%0.558SS**THydrogen-bonded Turntrans-91.618.3178.1-61.5-74.5000113.4L364 R366L364-N368 PolarHBondContact O-ND2 3.14Å; R366-N368 PolarHBondContact O-N 2.84Å
369S55.6Low68.2Low52 Ų52100 Ų10036%0.36456%0.556SS.*  trans-132.5110.4179.862.50000111.6R366 Q367 G371 S372R366-S369 PolarHBondContact O-N 3.14Å; R366-S369 PolarHBondContact O-OG 3.01Å; Q367-S369 VanDerWaalsContact C-N 3.31Å; Q367-S369 PolarHBondContact O-N 3.01Å; S369-G371 PolarHBondContact O-N 3.26Å; S369-G371 VanDerWaalsContact O-N 3.11Å; S369-S372 VanDerWaalsContact O-CB 3.31Å; S369-S372 WeakPolarHBondContact O-CB 3.38Å; S369-S372 PolarHBondContact O-N 3.41Å; S369-S372 VanDerWaalsContact O-N 3.11Å; S369-S372 PolarHBondContact O-OG 3.07Å; S369-S372 WeakPolarHBondContact OG-CB 3.26Å
370E51.5Low68.2Low208 Ų20898.9 Ų98.997%0.97255%0.548SS*.THydrogen-bonded Turntrans-61.1-23.1-171.7-63.7176.8117.100113.8S372E370-S372 PolarHBondContact O-N 3.21Å
371G52.8Low68.6Low68 Ų6898.1 Ų98.170%0.70154%0.541SS*.THydrogen-bonded Turntrans-86.713.5176.400000115.9S369S369-G371 PolarHBondContact O-N 3.26Å; S369-G371 VanDerWaalsContact O-N 3.11Å
372S53.1Low69.4Low25 Ų2595.9 Ų95.918%0.17552%0.522CS..  trans-98.2-10.8-170.569.50000116.4R366 S369 E370 N374 K375R366-S372 PolarHBondContact O-OG 3Å; S369-S372 VanDerWaalsContact O-CB 3.31Å; S369-S372 WeakPolarHBondContact O-CB 3.38Å; S369-S372 PolarHBondContact O-N 3.41Å; S369-S372 VanDerWaalsContact O-N 3.11Å; S369-S372 PolarHBondContact O-OG 3.07Å; S369-S372 WeakPolarHBondContact OG-CB 3.26Å; E370-S372 PolarHBondContact O-N 3.21Å; S372-N374 VanDerWaalsContact C-N 3.29Å; S372-N374 PolarHBondContact O-N 2.86Å; S372-K375 WeakPolarHBondContact O-CB 3.37Å; S372-K375 PolarHBondContact O-N 3.47Å
373A54.3Low70.5Confident73 Ų7393 Ų9360%0.60351%0.513SS*.G310 helixtrans-54.3-43.5-179.200000112.6K375 V376A373-K375 PolarHBondContact O-N 3.48Å; A373-V376 PolarHBondContact O-N 3.46Å
374N56.3Low71.9Confident136 Ų13696.1 Ų96.173%0.72752%0.519SS*.G310 helixtrans-70.816.9178.4-56.3-3.7000113.9S372S372-N374 VanDerWaalsContact C-N 3.29Å; S372-N374 PolarHBondContact O-N 2.86Å
375K66.2Low73.5Confident132 Ų13298 Ų9857%0.57453%0.529SS*.G310 helixtrans-128.912.4-179.7-53.5-168.7-178.9-1730113.2R366 S372 A373R366-K375 PolarHBondContact NH1-O 2.76Å; S372-K375 WeakPolarHBondContact O-CB 3.37Å; S372-K375 PolarHBondContact O-N 3.47Å; A373-K375 PolarHBondContact O-N 3.48Å
376V77.4Confident75.1Confident101 Ų10194 Ų9461%0.61253%0.53SS*.SBendtrans-95.2129.6164.1-178.30000107.2A373A373-V376 PolarHBondContact O-N 3.46Å
377P88.6Confident76.8Confident67 Ų6796.5 Ų96.544%0.43554%0.543SS..PPolyproline II helixtrans-67.1143.418030-35.9000110.5I379 L396P377-I379 PolarHBondContact O-N 3.02Å; P377-L396 HydrophobicContact CB-CD1 3.77Å; P377-L396 HydrophobicContact CG-CD1 4.12Å
378C91.1Very high78.7Confident11 Ų1194.1 Ų94.17%0.07453%0.531CS..EExtended strand (participates in β ladder)trans-86116-179179.80000109.8L397 R400C378-L397 HydrophobicContact CB-CB 4.2Å; C378-L397 PolarHBondContact N-O 3.16Å; C378-L397 PolarHBondContact O-N 3.29Å; C378-R400 HydrophobicContact CB-CB 3.99Å
379I93.9Very high80.7Confident106 Ų10691.3 Ų91.354%0.54452%0.518SS..EExtended strand (participates in β ladder)trans-101.8124.7179.2-57.5175.5000108.3P377 Y394 Y395 L396P377-I379 PolarHBondContact O-N 3.02Å; I379-Y394 HydrophobicContact CG2-CD1 3.97Å; I379-Y394 HydrophobicContact CG2-CG 3.95Å; I379-Y395 CarbonylContact C-O 3.6Å; I379-Y395 WeakPolarHBondContact CA-O 3.27Å; I379-L396 HydrophobicContact CD1-CD1 4.43Å; I379-L396 HydrophobicContact CG1-CD1 3.75Å
380L93.7Very high82.7Confident35 Ų3589.8 Ų89.818%0.18351%0.507CS..EExtended strand (participates in β ladder)trans-124.7135.9-178.3-57.5175.4000111.5Y394 Y395 L397 L404L380-Y394 CarbonylContact O-C 3.5Å; L380-Y394 VanDerWaalsContact O-CA 3.26Å; L380-Y394 WeakPolarHBondContact O-CA 3.49Å; L380-Y394 WeakPolarHBondContact O-CB 3.27Å; L380-Y395 PolarHBondContact N-O 3.06Å; L380-Y395 PolarHBondContact O-N 3Å; L380-L397 HydrophobicContact CD1-CD1 3.74Å; L380-L404 HydrophobicContact CD1-CD1 4.11Å; L380-L404 HydrophobicContact CD2-CD1 3.69Å
381P95.8Very high84.8Confident58 Ų5884.1 Ų84.138%0.37749%0.491SS..EExtended strand (participates in β ladder)trans-68.7150.5174.830.8-35.8000111.4I383 Y394P381-I383 HydrophobicContact CB-CD1 4.43Å; P381-I383 HydrophobicContact CB-CG1 4.25Å; P381-I383 HydrophobicContact CG-CD1 3.82Å; P381-I383 HydrophobicContact CG-CG1 4.14Å; P381-Y394 HydrophobicContact CB-CD1 4.3Å; P381-Y394 HydrophobicContact CB-CE1 4.27Å
382I96Very high86.9Confident40 Ų4085.7 Ų85.721%0.20549%0.487CS..  trans-83.6117.6170.9-48.9-179.4000108.2K388 V389 H393 Y395I382-K388 WeakPolarHBondContact O-CA 3.43Å; I382-V389 HydrophobicContact CB-CG2 4.27Å; I382-V389 HydrophobicContact CG2-CG2 3.64Å; I382-V389 PolarHBondContact O-N 2.81Å; I382-H393 HydrophobicContact CD1-CB 3.7Å; I382-Y395 HydrophobicContact CB-CE2 4.43Å; I382-Y395 HydrophobicContact CG1-CD2 4.11Å; I382-Y395 HydrophobicContact CG1-CE2 3.85Å; I382-Y395 HydrophobicContact CG2-CE2 4.27Å
383I95.6Very high89Confident101 Ų10190.3 Ų90.352%0.51851%0.506SS..EExtended strand (participates in β ladder)trans-127.9130.6-175.3-62.7177.9000109.2P381 K387P381-I383 HydrophobicContact CB-CD1 4.43Å; P381-I383 HydrophobicContact CB-CG1 4.25Å; P381-I383 HydrophobicContact CG-CD1 3.82Å; P381-I383 HydrophobicContact CG-CG1 4.14Å; I383-K387 CarbonylContact C-O 3.56Å; I383-K387 VanDerWaalsContact CA-O 3.26Å; I383-K387 WeakPolarHBondContact CA-O 3.41Å; I383-K387 WeakPolarHBondContact CG2-O 3.49Å
384E96.3Very high91.1Very high120 Ų12091.9 Ų91.956%0.56150%0.497SS*.EExtended strand (participates in β ladder)trans-132.2141.1174.6-154.1177.8172.500109G386 K387 V389E384-G386 PolarHBondContact O-N 3.41Å; E384-K387 PolarHBondContact N-O 2.93Å; E384-K387 PolarHBondContact O-N 3.06Å; E384-K387 VanDerWaalsContact O-O 3.05Å; E384-V389 HydrophobicContact CB-CB 4.45Å; E384-V389 HydrophobicContact CB-CG1 3.56Å; E384-V389 HydrophobicContact CB-CG2 4.04Å
385N94.8Very high93Very high158 Ų15892 Ų9285%0.84549%0.488SS*.THydrogen-bonded Turntrans5023.4-174.4-49.6100.6000115.1K387N385-K387 VanDerWaalsContact C-N 3.34Å
386G93.9Very high94.4Very high71 Ų7191.5 Ų91.573%0.73249%0.491SS*.THydrogen-bonded Turntrans82.7-0.2-174.900000115.5E384E384-G386 PolarHBondContact O-N 3.41Å
387K94.2Very high95.1Very high164 Ų16489.3 Ų89.371%0.71348%0.476SS*.EExtended strand (participates in β ladder)trans-105.5146.9175.1-64.4-172.8178.1-173.90111.2I383 E384 N385 V389I383-K387 CarbonylContact C-O 3.56Å; I383-K387 VanDerWaalsContact CA-O 3.26Å; I383-K387 WeakPolarHBondContact CA-O 3.41Å; I383-K387 WeakPolarHBondContact CG2-O 3.49Å; E384-K387 PolarHBondContact N-O 2.93Å; E384-K387 PolarHBondContact O-N 3.06Å; E384-K387 VanDerWaalsContact O-O 3.05Å; N385-K387 VanDerWaalsContact C-N 3.34Å; K387-V389 PolarHBondContact O-N 2.76Å
388K96.3Very high95.1Very high112 Ų11292 Ų9249%0.48749%0.493SS..EExtended strand (participates in β ladder)trans-74.4106.8175.3-174.4-175.2-175.3-174.60109.5I382 S390 Y394I382-K388 WeakPolarHBondContact O-CA 3.43Å; K388-S390 WeakPolarHBondContact CE-O 3.41Å; K388-S390 WeakPolarHBondContact CG-O 3.34Å; K388-Y394 PolarHBondContact NZ-OH 2.98Å
389V97.2Very high95Very high79 Ų7998 Ų9848%0.47952%0.52SS..  trans-87.3-11.5-175.8-68.30000114.3I382 E384 K387I382-V389 HydrophobicContact CB-CG2 4.27Å; I382-V389 HydrophobicContact CG2-CG2 3.64Å; I382-V389 PolarHBondContact O-N 2.81Å; E384-V389 HydrophobicContact CB-CB 4.45Å; E384-V389 HydrophobicContact CB-CG1 3.56Å; E384-V389 HydrophobicContact CB-CG2 4.04Å; K387-V389 PolarHBondContact O-N 2.76Å
390S97.4Very high94.6Very high20 Ų2097 Ų9714%0.1451%0.51CS..  trans-133.3122.3167.8-1640000111.1K388 T392 H393K388-S390 WeakPolarHBondContact CE-O 3.41Å; K388-S390 WeakPolarHBondContact CG-O 3.34Å; S390-T392 PolarHBondContact OG-OG1 3.11Å; S390-H393 WeakPolarHBondContact OG-CB 3.3Å; S390-H393 PolarHBondContact OG-N 3.46Å; S390-H393 VanDerWaalsContact OG-N 3.08Å; S390-H393 PolarHBondContact OG-ND1 3.11Å
391S96.1Very high94.4Very high89 Ų8996.7 Ų96.762%0.62251%0.509SS*.SBendtrans-73.4-31170.8530000112.3Y394S391-Y394 PolarHBondContact O-OH 2.91Å
392T97.3Very high94Very high102 Ų10298.8 Ų98.863%0.62652%0.523SS*.SBendtrans-99.1-32.5-169.748.40000114.3S390S390-T392 PolarHBondContact OG-OG1 3.11Å
393H96.9Very high93.6Very high122 Ų122102.9 Ų102.957%0.56554%0.537SS*.  trans-103.7144.2-175.3-63.171.1000112.2I382 S390I382-H393 HydrophobicContact CD1-CB 3.7Å; S390-H393 WeakPolarHBondContact OG-CB 3.3Å; S390-H393 PolarHBondContact OG-N 3.46Å; S390-H393 VanDerWaalsContact OG-N 3.08Å; S390-H393 PolarHBondContact OG-ND1 3.11Å
394Y97.7Very high93.3Very high105 Ų10599 Ų9941%0.41252%0.517SS..EExtended strand (participates in β ladder)trans-141.9146.9-178-60.9-98.9000109I379 L380 P381 K388 S391I379-Y394 HydrophobicContact CG2-CD1 3.97Å; I379-Y394 HydrophobicContact CG2-CG 3.95Å; L380-Y394 CarbonylContact O-C 3.5Å; L380-Y394 VanDerWaalsContact O-CA 3.26Å; L380-Y394 WeakPolarHBondContact O-CA 3.49Å; L380-Y394 WeakPolarHBondContact O-CB 3.27Å; P381-Y394 HydrophobicContact CB-CD1 4.3Å; P381-Y394 HydrophobicContact CB-CE1 4.27Å; K388-Y394 PolarHBondContact NZ-OH 2.98Å; S391-Y394 PolarHBondContact O-OH 2.91Å
395Y95.7Very high92.8Very high138 Ų13896.8 Ų96.854%0.54151%0.509SS..EExtended strand (participates in β ladder)trans-75131.4168.1-66.1-73.5000109.8I379 L380 I382I379-Y395 CarbonylContact C-O 3.6Å; I379-Y395 WeakPolarHBondContact CA-O 3.27Å; L380-Y395 PolarHBondContact N-O 3.06Å; L380-Y395 PolarHBondContact O-N 3Å; I382-Y395 HydrophobicContact CB-CE2 4.43Å; I382-Y395 HydrophobicContact CG1-CD2 4.11Å; I382-Y395 HydrophobicContact CG1-CE2 3.85Å; I382-Y395 HydrophobicContact CG2-CE2 4.27Å
396L96.1Very high92.5Very high122 Ų12295 Ų9564%0.63949%0.494SS*.EExtended strand (participates in β ladder)trans-110.6106.5176.7-175.470.5000109.2P377 I379P377-L396 HydrophobicContact CB-CD1 3.77Å; P377-L396 HydrophobicContact CG-CD1 4.12Å; I379-L396 HydrophobicContact CD1-CD1 4.43Å; I379-L396 HydrophobicContact CG1-CD1 3.75Å
397L93Very high92.1Very high56 Ų5696.6 Ų96.629%0.29348%0.478SS..EExtended strand (participates in β ladder)trans-102.8137.9-179.4-55180000110.7C378 L380 E399 P401C378-L397 HydrophobicContact CB-CB 4.2Å; C378-L397 PolarHBondContact N-O 3.16Å; C378-L397 PolarHBondContact O-N 3.29Å; L380-L397 HydrophobicContact CD1-CD1 3.74Å; L397-E399 VanDerWaalsContact C-N 3.27Å; L397-E399 WeakPolarHBondContact CB-O 3.48Å; L397-E399 PolarHBondContact O-N 2.92Å; L397-P401 HydrophobicContact CD1-CG 3.6Å
398P88.9Confident91.7Very high123 Ų12392 Ų9280%0.79946%0.459SS*.SBendtrans-63.1-31.8179.5-23.834.2000114.1
399E88Confident91.2Very high136 Ų13692.5 Ų92.564%0.63646%0.462SS*.SBendtrans-130.9153.2179.5-178.5169.1-157.800108.8L397 P401L397-E399 VanDerWaalsContact C-N 3.27Å; L397-E399 WeakPolarHBondContact CB-O 3.48Å; L397-E399 PolarHBondContact O-N 2.92Å; E399-P401 WeakPolarHBondContact O-CD 3.32Å
400R86.8Confident90.6Very high87 Ų8793.6 Ų93.633%0.32846%0.46SS..  trans-80.6121.6176.4178.7170.1165.498.1-6.7109.7C378 P402 L404 D405 E408C378-R400 HydrophobicContact CB-CB 3.99Å; R400-P402 WeakPolarHBondContact O-CD 3.24Å; R400-L404 HydrophobicContact CG-CD1 4.45Å; R400-L404 PolarHBondContact NH2-O 3.17Å; R400-D405 IonicContact CZ-OD1 3.68Å; R400-D405 IonicContact NE-OD1 2.73Å; R400-D405 PolarHBondContact NE-OD1 2.84Å; R400-D405 IonicContact NH2-OD1 3.5Å; R400-D405 PolarHBondContact NH2-OD1 2.8Å; R400-E408 IonicContact NH2-OE2 3.14Å
401P88.8Confident89.9Confident28 Ų2899 Ų9918%0.18248%0.481CS..  trans-60.4126.9177.5-26.535000112.3L397 E399 Y403 L404L397-P401 HydrophobicContact CD1-CG 3.6Å; E399-P401 WeakPolarHBondContact O-CD 3.32Å; P401-Y403 HydrophobicContact CB-CD1 3.5Å; P401-Y403 VanDerWaalsContact CB-CD1 3.5Å; P401-Y403 HydrophobicContact CB-CE1 3.31Å; P401-Y403 HydrophobicContact CB-CG 4.49Å; P401-Y403 HydrophobicContact CG-CE1 4.03Å; P401-Y403 PolarHBondContact O-N 3.45Å; P401-L404 HydrophobicContact CB-CG 4.49Å; P401-L404 HydrophobicContact CG-CD1 4.4Å; P401-L404 WeakPolarHBondContact O-CB 3.49Å; P401-L404 PolarHBondContact O-N 3.41Å
402P87.5Confident89.3Confident102 Ų102100.7 Ų100.766%0.66247%0.474SS*.THydrogen-bonded Turntrans-59.3-18.9-175.9-28.535.6000115.2R400 L404 D405R400-P402 WeakPolarHBondContact O-CD 3.24Å; P402-L404 PolarHBondContact O-N 3.17Å; P402-D405 WeakPolarHBondContact CA-OD2 3.46Å; P402-D405 PolarHBondContact O-N 3Å
403Y87.8Confident88.6Confident126 Ų126101.2 Ų101.249%0.49447%0.47SS..THydrogen-bonded Turntrans-69.8-15.1174.780.6-99.4000113.3P401 K406 Y407P401-Y403 HydrophobicContact CB-CD1 3.5Å; P401-Y403 VanDerWaalsContact CB-CD1 3.5Å; P401-Y403 HydrophobicContact CB-CE1 3.31Å; P401-Y403 HydrophobicContact CB-CG 4.49Å; P401-Y403 HydrophobicContact CG-CE1 4.03Å; P401-Y403 PolarHBondContact O-N 3.45Å; Y403-K406 WeakPolarHBondContact O-CD 3.33Å; Y403-K406 WeakPolarHBondContact O-CE 3.32Å; Y403-K406 VanDerWaalsContact O-CG 3.29Å; Y403-K406 WeakPolarHBondContact O-CG 3.3Å; Y403-Y407 HydrophobicContact CD2-CE2 4.32Å; Y403-Y407 WeakPolarHBondContact O-CD2 3.29Å; Y403-Y407 WeakPolarHBondContact O-CE2 3.45Å
404L88.3Confident87.6Confident18 Ų1898 Ų989%0.09446%0.464CS..THydrogen-bonded Turntrans-81.1-26.5175.8-65.4178000112.5L380 R400 P401 P402 K406 Y407 E408L380-L404 HydrophobicContact CD1-CD1 4.11Å; L380-L404 HydrophobicContact CD2-CD1 3.69Å; R400-L404 HydrophobicContact CG-CD1 4.45Å; R400-L404 PolarHBondContact NH2-O 3.17Å; P401-L404 HydrophobicContact CB-CG 4.49Å; P401-L404 HydrophobicContact CG-CD1 4.4Å; P401-L404 WeakPolarHBondContact O-CB 3.49Å; P401-L404 PolarHBondContact O-N 3.41Å; P402-L404 PolarHBondContact O-N 3.17Å; L404-K406 VanDerWaalsContact C-N 3.31Å; L404-K406 PolarHBondContact O-N 2.88Å; L404-Y407 CarbonylContact O-C 3.56Å; L404-Y407 WeakPolarHBondContact O-CA 3.36Å; L404-Y407 WeakPolarHBondContact O-CB 3.42Å; L404-Y407 PolarHBondContact O-N 3.49Å; L404-E408 PolarHBondContact O-N 3.49Å; L404-E408 VanDerWaalsContact O-N 3.13Å
405D86.3Confident86.5Confident75 Ų7599.5 Ų99.540%0.40148%0.475SS..Hα-helixtrans-67-35.6-176.2-54.7-27.5000111.2R400 P402 Y407 E408R400-D405 IonicContact CZ-OD1 3.68Å; R400-D405 IonicContact NE-OD1 2.73Å; R400-D405 PolarHBondContact NE-OD1 2.84Å; R400-D405 IonicContact NH2-OD1 3.5Å; R400-D405 PolarHBondContact NH2-OD1 2.8Å; P402-D405 WeakPolarHBondContact CA-OD2 3.46Å; P402-D405 PolarHBondContact O-N 3Å; D405-Y407 PolarHBondContact O-N 2.99Å; D405-Y407 VanDerWaalsContact O-N 3.14Å; D405-E408 VanDerWaalsContact O-CB 3.24Å; D405-E408 WeakPolarHBondContact O-CB 3.45Å; D405-E408 PolarHBondContact O-N 2.99Å
406K89Confident85.5Confident121 Ų12198.8 Ų98.853%0.52648%0.477SS..Hα-helixtrans-62.9-18172.484.1-158.9180-179.10113.8Y403 L404Y403-K406 WeakPolarHBondContact O-CD 3.33Å; Y403-K406 WeakPolarHBondContact O-CE 3.32Å; Y403-K406 VanDerWaalsContact O-CG 3.29Å; Y403-K406 WeakPolarHBondContact O-CG 3.3Å; L404-K406 VanDerWaalsContact C-N 3.31Å; L404-K406 PolarHBondContact O-N 2.88Å
407Y85.1Confident83.8Confident104 Ų10497.1 Ų97.141%0.40847%0.471SS..Hα-helixtrans-101.1-9.9175.4-60.8-64.5000113.2Y403 L404 D405 K409 F410 F411Y403-Y407 HydrophobicContact CD2-CE2 4.32Å; Y403-Y407 WeakPolarHBondContact O-CD2 3.29Å; Y403-Y407 WeakPolarHBondContact O-CE2 3.45Å; L404-Y407 CarbonylContact O-C 3.56Å; L404-Y407 WeakPolarHBondContact O-CA 3.36Å; L404-Y407 WeakPolarHBondContact O-CB 3.42Å; L404-Y407 PolarHBondContact O-N 3.49Å; D405-Y407 PolarHBondContact O-N 2.99Å; D405-Y407 VanDerWaalsContact O-N 3.14Å; Y407-K409 PolarHBondContact O-N 2.79Å; Y407-K409 VanDerWaalsContact O-N 3.14Å; Y407-F410 AromaticContact CD1-CD2 3.93Å; Y407-F410 HydrophobicContact CD1-CD2 3.93Å; Y407-F410 AromaticContact CD1-CE2 3.91Å; Y407-F410 HydrophobicContact CD1-CE2 3.91Å; Y407-F410 WeakPolarHBondContact O-CB 3.43Å; Y407-F410 PolarHBondContact O-N 2.92Å; Y407-F411 WeakPolarHBondContact O-CD2 3.34Å; Y407-F411 PolarHBondContact O-N 3.08Å
408E85.5Confident82.1Confident67 Ų6798.7 Ų98.731%0.31348%0.484SS..Hα-helixtrans-54.3-36.8-177.4-169.1-177.2115.100113R400 L404 D405 F410 F411 R412R400-E408 IonicContact NH2-OE2 3.14Å; L404-E408 PolarHBondContact O-N 3.49Å; L404-E408 VanDerWaalsContact O-N 3.13Å; D405-E408 VanDerWaalsContact O-CB 3.24Å; D405-E408 WeakPolarHBondContact O-CB 3.45Å; D405-E408 PolarHBondContact O-N 2.99Å; E408-F410 VanDerWaalsContact C-N 3.28Å; E408-F410 PolarHBondContact O-N 3.08Å; E408-F411 PolarHBondContact O-N 2.88Å; E408-F411 VanDerWaalsContact O-N 3.15Å; E408-R412 PolarHBondContact O-N 3.02Å; E408-R412 IonicContact OE1-CZ 3.47Å; E408-R412 IonicContact OE1-NH1 2.7Å; E408-R412 PolarHBondContact OE1-NH1 3.24Å; E408-R412 IonicContact OE1-NH2 3.4Å; E408-R412 PolarHBondContact OE1-NH2 2.87Å
409K86.6Confident80.4Confident123 Ų12394.9 Ų94.954%0.53546%0.462SS..Hα-helixtrans-53.5-40.9173.857.8173.4-175.2163.70113.4Y407 R412 E413Y407-K409 PolarHBondContact O-N 2.79Å; Y407-K409 VanDerWaalsContact O-N 3.14Å; K409-R412 PolarHBondContact O-N 2.79Å; K409-E413 VanDerWaalsContact O-CB 3.27Å; K409-E413 WeakPolarHBondContact O-CB 3.31Å; K409-E413 PolarHBondContact O-N 3.42Å
410F84.8Confident78.7Confident102 Ų10292.3 Ų92.345%0.44746%0.459SS..Hα-helixtrans-75.1-30-178.8-57.8-63.4000111.9Y407 E408 A414Y407-F410 AromaticContact CD1-CD2 3.93Å; Y407-F410 HydrophobicContact CD1-CD2 3.93Å; Y407-F410 AromaticContact CD1-CE2 3.91Å; Y407-F410 HydrophobicContact CD1-CE2 3.91Å; Y407-F410 WeakPolarHBondContact O-CB 3.43Å; Y407-F410 PolarHBondContact O-N 2.92Å; E408-F410 VanDerWaalsContact C-N 3.28Å; E408-F410 PolarHBondContact O-N 3.08Å; F410-A414 VanDerWaalsContact O-CB 3.27Å; F410-A414 WeakPolarHBondContact O-CB 3.45Å; F410-A414 PolarHBondContact O-N 2.86Å
411F81.8Confident77Confident134 Ų13491.9 Ų91.959%0.58848%0.475SS*.Hα-helixtrans-68.6-43.3173.1-67.4-74.2000111.1Y407 E408 E415Y407-F411 WeakPolarHBondContact O-CD2 3.34Å; Y407-F411 PolarHBondContact O-N 3.08Å; E408-F411 PolarHBondContact O-N 2.88Å; E408-F411 VanDerWaalsContact O-N 3.15Å; F411-E415 WeakPolarHBondContact O-CB 3.44Å; F411-E415 PolarHBondContact O-N 3.18Å
412R83.6Confident75Confident123 Ų12398.9 Ų98.946%0.46451%0.505SS..Hα-helixtrans-62.4-48.7171.4-96.7-164.7-69.1-78.3-2.9112.5E408 K409 A414 E415 E416E408-R412 PolarHBondContact O-N 3.02Å; E408-R412 IonicContact OE1-CZ 3.47Å; E408-R412 IonicContact OE1-NH1 2.7Å; E408-R412 PolarHBondContact OE1-NH1 3.24Å; E408-R412 IonicContact OE1-NH2 3.4Å; E408-R412 PolarHBondContact OE1-NH2 2.87Å; K409-R412 PolarHBondContact O-N 2.79Å; R412-A414 VanDerWaalsContact C-N 3.3Å; R412-A414 PolarHBondContact O-N 3.07Å; R412-E415 PolarHBondContact O-N 2.91Å; R412-E415 VanDerWaalsContact O-N 3.14Å; R412-E416 WeakPolarHBondContact O-CB 3.36Å; R412-E416 WeakPolarHBondContact O-CG 3.34Å; R412-E416 PolarHBondContact O-N 3.45Å
413E82Confident72.8Confident114 Ų114100.3 Ų100.353%0.53351%0.505SS..Hα-helixtrans-58.6-40.2179.3-175.9177.6-174.800112.2K409 T417K409-E413 VanDerWaalsContact O-CB 3.27Å; K409-E413 WeakPolarHBondContact O-CB 3.31Å; K409-E413 PolarHBondContact O-N 3.42Å; E413-T417 VanDerWaalsContact O-CB 3.3Å; E413-T417 WeakPolarHBondContact O-CB 3.42Å; E413-T417 PolarHBondContact O-N 2.75Å; E413-T417 PolarHBondContact O-OG1 2.73Å
414A77.3Confident70.3Confident55 Ų55102.1 Ų102.146%0.45552%0.519SS..Hα-helixtrans-66.2-44.9173.400000112.5F410 R412 T417 T418F410-A414 VanDerWaalsContact O-CB 3.27Å; F410-A414 WeakPolarHBondContact O-CB 3.45Å; F410-A414 PolarHBondContact O-N 2.86Å; R412-A414 VanDerWaalsContact C-N 3.3Å; R412-A414 PolarHBondContact O-N 3.07Å; A414-T417 PolarHBondContact O-N 2.96Å; A414-T418 WeakPolarHBondContact O-CG2 3.25Å; A414-T418 PolarHBondContact O-N 3.11Å; A414-T418 PolarHBondContact O-OG1 3.49Å
415E74.4Confident67.7Low136 Ų136106.2 Ų106.264%0.63655%0.546SS*.Hα-helixtrans-61.9-47.4176.9-170.4170-166.400111F411 R412 T417 T418 A419F411-E415 WeakPolarHBondContact O-CB 3.44Å; F411-E415 PolarHBondContact O-N 3.18Å; R412-E415 PolarHBondContact O-N 2.91Å; R412-E415 VanDerWaalsContact O-N 3.14Å; E415-T417 VanDerWaalsContact C-N 3.32Å; E415-T417 PolarHBondContact O-N 3.3Å; E415-T418 PolarHBondContact O-N 3.45Å; E415-T418 VanDerWaalsContact O-N 3.16Å; E415-T418 PolarHBondContact O-OG1 2.69Å; E415-A419 WeakPolarHBondContact O-CB 3.33Å; E415-A419 PolarHBondContact O-N 2.78Å
416E73.3Confident65.2Low123 Ų123110.4 Ų110.458%0.57557%0.567SS**Hα-helixtrans-60.2-36.8174.7-71.6170-15100112.5R412 S420R412-E416 WeakPolarHBondContact O-CB 3.36Å; R412-E416 WeakPolarHBondContact O-CG 3.34Å; R412-E416 PolarHBondContact O-N 3.45Å; E416-S420 VanDerWaalsContact O-CB 3.3Å; E416-S420 WeakPolarHBondContact O-CB 3.47Å; E416-S420 PolarHBondContact O-N 3.34Å; E416-S420 PolarHBondContact O-OG 3.05Å
417T61Low62.6Low86 Ų86109.8 Ų109.853%0.52858%0.576SS.*Hα-helixtrans-67.3-43.3173.7-58.40000111.4E413 A414 E415 S420 A421E413-T417 VanDerWaalsContact O-CB 3.3Å; E413-T417 WeakPolarHBondContact O-CB 3.42Å; E413-T417 PolarHBondContact O-N 2.75Å; E413-T417 PolarHBondContact O-OG1 2.73Å; A414-T417 PolarHBondContact O-N 2.96Å; E415-T417 VanDerWaalsContact C-N 3.32Å; E415-T417 PolarHBondContact O-N 3.3Å; T417-S420 PolarHBondContact O-OG 3.19Å; T417-A421 WeakPolarHBondContact O-CB 3.38Å; T417-A421 PolarHBondContact O-N 3.5Å; T417-A421 VanDerWaalsContact O-N 3.12Å
418T56.9Low60.5Low90 Ų90109.4 Ų109.455%0.55259%0.594SS**Hα-helixtrans-69.8-34.4175.857.40000113.1A414 E415 Q422A414-T418 WeakPolarHBondContact O-CG2 3.25Å; A414-T418 PolarHBondContact O-N 3.11Å; A414-T418 PolarHBondContact O-OG1 3.49Å; E415-T418 PolarHBondContact O-N 3.45Å; E415-T418 VanDerWaalsContact O-N 3.16Å; E415-T418 PolarHBondContact O-OG1 2.69Å; T418-Q422 PolarHBondContact O-N 3Å
419A54.6Low57.8Low43 Ų43113.3 Ų113.336%0.35562%0.617SS.*Hα-helixtrans-72.7-41.9177.700000112E415 A421 Q422 I423E415-A419 WeakPolarHBondContact O-CB 3.33Å; E415-A419 PolarHBondContact O-N 2.78Å; A419-A421 VanDerWaalsContact C-N 3.28Å; A419-A421 PolarHBondContact O-N 3.19Å; A419-Q422 CarbonylContact O-C 3.57Å; A419-Q422 PolarHBondContact O-N 3.34Å; A419-Q422 VanDerWaalsContact O-N 3.07Å; A419-I423 WeakPolarHBondContact O-CG1 3.22Å; A419-I423 PolarHBondContact O-N 3.32Å
420S51.8Low55.2Low81 Ų81113.8 Ų113.857%0.56663%0.634SS**Hα-helixtrans-67.1-28.4174.354.40000112.7E416 T417 Q422E416-S420 VanDerWaalsContact O-CB 3.3Å; E416-S420 WeakPolarHBondContact O-CB 3.47Å; E416-S420 PolarHBondContact O-N 3.34Å; E416-S420 PolarHBondContact O-OG 3.05Å; T417-S420 PolarHBondContact O-OG 3.19Å; S420-Q422 VanDerWaalsContact C-N 3.33Å
421A50.8Low52.5Low79 Ų79112.4 Ų112.465%0.65365%0.649SS**Hα-helixtrans-69.6-25.216900000113.8T417 A419T417-A421 WeakPolarHBondContact O-CB 3.38Å; T417-A421 PolarHBondContact O-N 3.5Å; T417-A421 VanDerWaalsContact O-N 3.12Å; A419-A421 VanDerWaalsContact C-N 3.28Å; A419-A421 PolarHBondContact O-N 3.19Å
422Q46.4Very low50.3Low175 Ų175114 Ų11482%0.81866%0.662SS**Hα-helixtrans-96.5-16.9176.6-71.2-166.7-7.700114.4T418 A419 S420T418-Q422 PolarHBondContact O-N 3Å; A419-Q422 CarbonylContact O-C 3.57Å; A419-Q422 PolarHBondContact O-N 3.34Å; A419-Q422 VanDerWaalsContact O-N 3.07Å; S420-Q422 VanDerWaalsContact C-N 3.33Å
423I42.4Very low47.8Very low131 Ų131113.8 Ų113.867%0.67268%0.68SS**  trans-108.464.4173.7-48.4174.9000109.5A419 P425A419-I423 WeakPolarHBondContact O-CG1 3.22Å; A419-I423 PolarHBondContact O-N 3.32Å; I423-P425 WeakPolarHBondContact O-CD 3.34Å
424Q34.2Very low45.5Very low165 Ų165114.3 Ų114.377%0.77170%0.696SS**  trans-99.8104.5156.3-170.5175.688.100108.3L426Q424-L426 PolarHBondContact O-N 3.39Å
425P34.9Very low43.2Very low103 Ų103116.2 Ų116.267%0.66971%0.711SS**  trans-62.4125.2170.8-18.231.6000108.9I423 P427I423-P425 WeakPolarHBondContact O-CD 3.34Å; P425-P427 VanDerWaalsContact O-CD 3.29Å; P425-P427 WeakPolarHBondContact O-CD 3.43Å; P425-P427 VanDerWaalsContact O-N 3.13Å
426L32.5Very low41.2Very low163 Ų163115.7 Ų115.785%0.85372%0.718SS**  trans-55.9115.6174.2-119.7160.2000108.8Q424 A428Q424-L426 PolarHBondContact O-N 3.39Å; L426-A428 PolarHBondContact O-N 3.16Å; L426-A428 VanDerWaalsContact O-N 3.07Å
427P34.3Very low39.2Very low108 Ų108119 Ų11970%0.70173%0.733SS**  trans-69.3111178.827.3-32.7000108.6P425 D429P425-P427 VanDerWaalsContact O-CD 3.29Å; P425-P427 WeakPolarHBondContact O-CD 3.43Å; P425-P427 VanDerWaalsContact O-N 3.13Å; P427-D429 PolarHBondContact O-N 3.29Å; P427-D429 VanDerWaalsContact O-N 3.08Å
428A40.6Very low38.4Very low96 Ų96122.9 Ų122.979%0.79374%0.743SS**  trans-73.598.117300000109.4L426L426-A428 PolarHBondContact O-N 3.16Å; L426-A428 VanDerWaalsContact O-N 3.07Å
429D29.9Very low38Very low150 Ų150123.4 Ų123.480%0.80275%0.747SS**  trans-158.2120.9151.5-108.7-31.4000112.2P427P427-D429 PolarHBondContact O-N 3.29Å; P427-D429 VanDerWaalsContact O-N 3.08Å
430C31.1Very low37Very low132 Ų132127.4 Ų127.489%0.89276%0.763SS**  trans-143.270164.8-89.10000107.5I432C430-I432 PolarHBondContact O-N 3.16Å
431G29.3Very low36.2Very low74 Ų74129.4 Ų129.476%0.76378%0.777SS**PPolyproline II helixtrans-66.8127.9-18000000112.2
432I34.3Very low35.7Very low168 Ų168135.3 Ų135.386%0.86279%0.788SS**PPolyproline II helixtrans-95.7135.4163.1-65177.9000107.9C430C430-I432 PolarHBondContact O-N 3.16Å
433S32.1Very low35Very low118 Ų118133.9 Ų133.983%0.82579%0.791SS**PPolyproline II helixtrans-77142.2-169.851.50000114.2
434S32.6Very low35Very low124 Ų124136.8 Ų136.887%0.86780%0.799SS**  trans-140137.5147.160.80000108.7
435A30.7Very low35Very low95 Ų95135.6 Ų135.679%0.78580%0.803SS**  trans-107.3155.7-176.300000110.8
436T32Very low35.2Very low125 Ų125137.2 Ų137.277%0.76781%0.806SS**  trans-164.9122.9149.1-78.20000111.1
437E31.4Very low35.5Very low192 Ų192137.6 Ų137.690%0.89781%0.808SS**  trans62.8175.2155.1-70.5-175.8118.500123.3
438K44.3Very low35.5Very low169 Ų169135.8 Ų135.874%0.73581%0.809SS**  trans-138.2-171.2-154.7-124.4-169.5168.6-121.70107D440K438-D440 IonicContact NZ-OD2 3.2Å; K438-D440 PolarHBondContact NZ-OD2 3.17Å
439P47.1Very low35.1Very low100 Ų100135 Ų13565%0.64981%0.811SS**  cis-133.7168.9-7.429-5.8000117.1
440D33.7Very low35.7Very low127 Ų127136.8 Ų136.868%0.67981%0.813SS**  trans22.5130.8140.8-59.3-80.5000122K438K438-D440 IonicContact NZ-OD2 3.2Å; K438-D440 PolarHBondContact NZ-OD2 3.17Å
441S35.7Very low35.8Very low123 Ų123135.8 Ų135.886%0.8680%0.803SS**  -158.4140.8120.848.70000113.4
442K40Very low36.6Very low203 Ų203140.7 Ų140.788%0.88380%0.803SS**  trans-100.3154.1162.8-65.8174.2179.6172.20108.4
443T32.7Very low37Very low145 Ų145144 Ų14489%0.8981%0.805SS**  trans-169154.9131.2-80.20000110.2
444K40.8Very low37.7Very low192 Ų192147.8 Ų147.884%0.83581%0.807SS**  trans-120.3132.5-177.5164.5-165.3173.1-173.20108.9
445V36.1Very low38Very low140 Ų140150 Ų15085%0.84880%0.803SS**  trans-149.5153.1160.2132.60000109.1
446D38Very low38.6Very low138 Ų138152.6 Ų152.674%0.73880%0.803SS**  trans-125.5149.8-173.9171.833.6000109.7
447L39Very low39.1Very low170 Ų170152.3 Ų152.389%0.8981%0.806SS**  trans-162.6105.1169-114.4156.2000112.3
448G33.4Very low39.6Very low71 Ų71153 Ų15373%0.73280%0.802SS**  trans-55.2159.7-168.900000119.9
449G33.7Very low39.6Very low80 Ų80150.9 Ų150.983%0.82580%0.803SS**  trans-146.6111.6177.200000113.5
450H41.6Very low39.5Very low186 Ų186151.2 Ų151.286%0.86180%0.803SS**  trans-65.5160172.4-78-88.3000113
451V34.4Very low39.9Very low112 Ų112150.2 Ų150.268%0.67981%0.806SS**  cis-175172.3-15.964.50000109.9
452K44.5Very low40.9Very low176 Ų176153.9 Ų153.977%0.76583%0.827SS**  trans75.894.9164-60-80.5178.7176.20119.4
453R43.3Very low40.9Very low237 Ų237151.5 Ų151.589%0.89482%0.824SS**  trans-50.9142.6144.3172.6-170.5-73.9154.9-6.6111.6
454K46.3Very low41.4Very low198 Ų198151.8 Ų151.886%0.86182%0.821SS**  trans-134.7168.5161.4-80.9-166.9175.3-176.70110.8
455H38.5Very low41.4Very low171 Ų171149.6 Ų149.679%0.79282%0.82SS**  trans-119.7173.8-159-152.2-100.2000113.3
456L44.9Very low41.7Very low150 Ų150150.1 Ų150.179%0.78582%0.818SS**  trans-54.6152.9177.7-78.671.1000113.9
457S42.1Very low41.9Very low119 Ų119150.9 Ų150.983%0.83282%0.823SS**  trans-139.3154.6141600000110.7
458Y40.8Very low42.1Very low205 Ų205149.6 Ų149.680%0.80482%0.819SS**  trans-124130.1-173.9173.1-81.8000107.6V460Y458-V460 HydrophobicContact CE1-CG2 3.79Å
459V45.5Very low42.8Very low125 Ų125155.2 Ų155.276%0.75883%0.825SS**  trans-139.3127178.1-177.70000110
460V44.9Very low43.5Very low108 Ų108161 Ų16166%0.65583%0.825SS**  trans-109.2138167.61700000107.6Y458Y458-V460 HydrophobicContact CE1-CG2 3.79Å
461S42.5Very low43.6Very low105 Ų105158.9 Ų158.973%0.73482%0.822SS**  trans-168.4155.4167.8-71.70000110.7
462P55.7Low44.5Very low201 Ų201163.2 Ų163.2100%1.30584%0.835SS**  cis-111.90-21.736.1-23.6000113.1

Retrieved 462 of 462 residues in 348.6 ms (Link to these results)