A0A5K4FBI0_SCHMA Loading...

Phosphatase and actin regulator, putative

AlphaFold DB , UniProt , Accession A0A5K4FBI0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 596 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
1M42.9Very low38.3Very low244 Ų244145.9 Ų145.9100%1.20282%0.817SS**  01340-76.2169.915800107.7
2A44.6Very low38.3Very low102 Ų102152.3 Ų152.384%0.84382%0.819SS**  trans54.588.2-175.800000115.2
3A45Very low38Very low84 Ų84152.1 Ų152.169%0.69483%0.825SS**  76.49796.400000112.7
4H35.8Very low38Very low180 Ų180147.3 Ų147.383%0.83381%0.809SS**  58.3130.477.8-66-79.2000112.5
5T38.9Very low38.1Very low114 Ų114147.8 Ų147.870%0.69981%0.81SS**  cis-159.4158.112.7-1.70000112.3
6I38.2Very low38.5Very low150 Ų150145.5 Ų145.577%0.76980%0.795SS**  trans-75.8141.6166.5-64.7160.6000109.6
7F38.3Very low39.2Very low179 Ų179140.4 Ų140.479%0.78577%0.773SS**  trans-136.5107.3154.2-96.3-83.5000110.4
8H34.6Very low40Very low183 Ų183139.4 Ų139.485%0.84777%0.772SS**  trans-95.1133.6146.5-84.942.1000106.7
9S37.7Very low40.5Very low101 Ų101138.1 Ų138.171%0.70676%0.757SS**  trans-163.7125.2157.455.10000110
10D35.6Very low41Very low163 Ų163135.5 Ų135.587%0.87274%0.739SS**  trans-58.2176.2167.9-71.5-68.5000113.3
11S29.8Very low41.5Very low105 Ų105137 Ų13773%0.73474%0.739SS**  trans89.597171.2-161.50000116.4
12R37.9Very low41.8Very low223 Ų223135.2 Ų135.284%0.84272%0.719SS**  -158.493.9105.5-99.5164.5-153.4-140.94.2111.4S14R12-S14 VanDerWaalsContact C-N 3.26Å; R12-S14 PolarHBondContact O-N 3.15Å
13V34.3Very low42.1Very low149 Ų149132.8 Ų132.890%0.90369%0.691SS**  trans-70.691.2152.5178.30000106.3
14S38.3Very low42.3Very low85 Ų85132.2 Ų132.259%0.59469%0.686SS**  trans-123.386.6178.9590000111R12 I16R12-S14 VanDerWaalsContact C-N 3.26Å; R12-S14 PolarHBondContact O-N 3.15Å; S14-I16 PolarHBondContact O-N 3.13Å
15N40.3Very low43Very low155 Ų155128.7 Ų128.783%0.82967%0.67SS**  trans35.264.6144-58.3-18.7000116.3S17N15-S17 PolarHBondContact O-N 3.19Å
16I44.1Very low43.8Very low111 Ų111126.2 Ų126.257%0.56965%0.651SS**  trans-59.4112.2158.8-103.3170000107S14 K21S14-I16 PolarHBondContact O-N 3.13Å; I16-K21 HydrophobicContact CG2-CD 4.45Å; I16-K21 HydrophobicContact CG2-CG 4Å
17S50.7Low44.2Very low59 Ų59126.9 Ų126.941%0.41365%0.649SS.*  trans-55.7143.1179.8175.70000109.6N15 K19 Q20N15-S17 PolarHBondContact O-N 3.19Å; S17-K19 PolarHBondContact O-N 2.96Å; S17-K19 PolarHBondContact OG-N 2.77Å; S17-Q20 PolarHBondContact O-N 3.1Å
18T52.7Low44.4Very low123 Ų123125.3 Ų125.376%0.75565%0.648SS**THydrogen-bonded Turntrans-56.2-15.1176.840.50000113.2
19K48.9Very low45Very low113 Ų113121.2 Ų121.249%0.49164%0.64SS.*THydrogen-bonded Turntrans-66.3-50.5167.1-75.6-179.7138.6-144.30114.3S17 K21 R22 E572S17-K19 PolarHBondContact O-N 2.96Å; S17-K19 PolarHBondContact OG-N 2.77Å; K19-K21 VanDerWaalsContact C-N 3.34Å; K19-K21 PolarHBondContact O-N 3.45Å; K19-R22 WeakPolarHBondContact O-CB 3.5Å; K19-R22 PolarHBondContact O-N 3.08Å; K19-E572 VanDerWaalsContact CD-OE1 3.23Å; K19-E572 WeakPolarHBondContact CD-OE1 3.45Å; K19-E572 WeakPolarHBondContact CE-OE1 3.29Å; K19-E572 IonicContact NZ-OE1 2.71Å; K19-E572 PolarHBondContact NZ-OE1 2.92Å; K19-E572 IonicContact NZ-OE2 2.76Å; K19-E572 PolarHBondContact NZ-OE2 3.47Å; K19-E572 VanDerWaalsContact NZ-OE2 3.14Å
20Q52.1Low45.6Very low87 Ų87122.4 Ų122.441%0.40765%0.645SS.*Hα-helixtrans-67-32.5-173.6-83.9170.1-19.700112.6S17 R22 L23 E580S17-Q20 PolarHBondContact O-N 3.1Å; Q20-R22 PolarHBondContact O-N 3.43Å; Q20-L23 PolarHBondContact O-N 3.28Å; Q20-E580 PolarHBondContact NE2-OE1 2.93Å
21K50.9Low45.7Very low167 Ų167124.5 Ų124.573%0.72665%0.647SS**Hα-helixtrans-64.3-21.7171.9-88.9-176.8175179.80114.3I16 K19I16-K21 HydrophobicContact CG2-CD 4.45Å; I16-K21 HydrophobicContact CG2-CG 4Å; K19-K21 VanDerWaalsContact C-N 3.34Å; K19-K21 PolarHBondContact O-N 3.45Å
22R48.1Very low46Very low206 Ų206130.3 Ų130.378%0.77765%0.653SS**Hα-helixtrans-81-23.7179.2-83.7-179.4158.9175-5.4114.1K19 Q20K19-R22 WeakPolarHBondContact O-CB 3.5Å; K19-R22 PolarHBondContact O-N 3.08Å; Q20-R22 PolarHBondContact O-N 3.43Å
23L52.4Low45.9Very low52 Ų52131.3 Ų131.327%0.27266%0.657SS.*Hα-helixtrans-85.1-32.2-176.7-75.7166.8000113.5Q20 H25 M26Q20-L23 PolarHBondContact O-N 3.28Å; L23-H25 PolarHBondContact O-N 3.46Å; L23-M26 HydrophobicContact CD2-CE 4.47Å; L23-M26 PolarHBondContact O-N 3.08Å
24A48.2Very low45.8Very low71 Ų71132.6 Ų132.659%0.58765%0.65SS**G310 helixtrans-62-26.5-178.500000114.1M26A24-M26 VanDerWaalsContact C-N 3.35Å; A24-M26 PolarHBondContact O-N 3.23Å
25H52.1Low45.9Very low106 Ų106136.2 Ų136.249%0.49166%0.663SS.*G310 helixtrans-73.1-18-177.9166.4-104.8000114.4L23 W558L23-H25 PolarHBondContact O-N 3.46Å; H25-W558 AromaticContact CE1-CE3 3.42Å; H25-W558 VanDerWaalsContact CE1-CE3 3.42Å; H25-W558 AromaticContact CE1-CZ3 3.26Å; H25-W558 WeakPolarHBondContact CE1-CZ3 3.43Å; H25-W558 AromaticContact ND1-CE3 3.76Å; H25-W558 AromaticContact ND1-CZ3 3.76Å; H25-W558 AromaticContact NE2-CZ3 3.63Å
26M54.1Low45.5Very low62 Ų62136.7 Ų136.731%0.30566%0.66SS.*G310 helixtrans-91.8-12.3-173.5-82.2-169-91.900116L23 A24 W558L23-M26 HydrophobicContact CD2-CE 4.47Å; L23-M26 PolarHBondContact O-N 3.08Å; A24-M26 VanDerWaalsContact C-N 3.35Å; A24-M26 PolarHBondContact O-N 3.23Å; M26-W558 HydrophobicContact CG-CB 4.08Å; M26-W558 HydrophobicContact CG-CD2 4.29Å; M26-W558 HydrophobicContact CG-CE3 3.86Å; M26-W558 HydrophobicContact CG-CG 4.43Å; M26-W558 HydrophobicContact SD-CB 3.66Å; M26-W558 HydrophobicContact SD-CG 4.49Å
27F47.9Very low45.4Very low164 Ų164139 Ų13972%0.71967%0.673SS**SBendtrans-111.3-0.2-166.4-77.5-79000116.6
28L41.3Very low44.7Very low147 Ų147139.5 Ų139.577%0.7769%0.687SS**  trans-101.293.5175.4-80.676.9000111.2
29S48.5Very low44.2Very low97 Ų97143.8 Ų143.868%0.67870%0.696SS**  trans-134.9103.5169-79.10000110.7
30P49.4Very low43.5Very low125 Ų125148.5 Ų148.581%0.81272%0.716SS**PPolyproline II helixtrans-73.8143.9180-19.233.4000113.6
31F37.2Very low42.7Very low207 Ų207156.1 Ų156.191%0.90874%0.741SS**PPolyproline II helixtrans-56.1136.8176.3-83.7-105.6000113.1
32R35.7Very low41.9Very low228 Ų228153 Ų15386%0.8674%0.741SS**PPolyproline II helixtrans-76.2130.5164.2-65.3-173.5-175-153.63.7110.1
33R37.7Very low41.2Very low244 Ų244150.3 Ų150.392%0.92174%0.742SS**  trans-116127.6150-79-168.5176.6-156.1-0.4108.9
34F30.7Very low40.4Very low176 Ų176156.8 Ų156.877%0.77277%0.768SS**  trans-65.6142.1167.7-90.5-103.1000109.7
35N40.7Very low40Very low160 Ų160161.9 Ų161.986%0.85678%0.779SS**  trans-142.7114.4154.8-94-23.8000107.9
36H33.1Very low39.5Very low166 Ų166163.9 Ų163.977%0.76979%0.792SS**  trans-68.3126.7160.6-95-93.3000108.2
37N41Very low38.6Very low159 Ų159166.3 Ų166.385%0.8581%0.813SS**  trans163.6132.8130.7-82.5-22.7000112.5
38G35.5Very low38.2Very low69 Ų69163.7 Ų163.771%0.71182%0.815SS**  trans8894.2137.500000119.7
39K42.8Very low38Very low213 Ų213161.6 Ų161.693%0.92681%0.812SS**  trans58.5111.5136.5-60.3-178.3178-176.50118.7
40K34Very low37.2Very low212 Ų212165.7 Ų165.792%0.92282%0.821SS**  trans-60.5141.4161.8-72.3-178.3175.3-179.40111.4
41R35.7Very low36.8Very low247 Ų247168 Ų16893%0.93283%0.826SS**  trans-120.3131.9144.3-85.2-177.6166.8154.7-4.1107.4
42S33.6Very low36.9Very low103 Ų103161.7 Ų161.772%0.7281%0.811SS**  trans-83.8141.5162.848.10000109
43D34Very low36.9Very low149 Ų149158 Ų15880%0.79781%0.809SS**  trans-179.8151.9133.9-89-16.2000111.1
44K35.6Very low36.8Very low187 Ų187151.4 Ų151.481%0.81380%0.8SS**  trans84.4105.5167.7-48.1-172.7-175.7-175.20119
45H39.9Very low37.1Very low179 Ų179149.2 Ų149.283%0.82981%0.805SS**  -119.5124.9121.9-93.1-100.8000105.6
46L40.7Very low36.6Very low147 Ų147152 Ų15277%0.7780%0.803SS**  82135.663.7-84.3159.1000113.1
47P35.8Very low36.7Very low113 Ų113153.7 Ų153.773%0.73481%0.809SS**  trans-107.7153.7-163.340.9-34.3000115.2
48S39.3Very low36.6Very low110 Ų110152.3 Ų152.377%0.76980%0.802SS**  trans-152.8116161.6-64.30000106.4
49S37.1Very low36.4Very low102 Ų102156.1 Ų156.171%0.71381%0.805SS**  70.211170.572.30000113.9
50E32.7Very low36.1Very low184 Ų184152.8 Ų152.886%0.8680%0.798SS**  trans62107.7153.8-59.3176.7-174.300118.7
51L39.9Very low36.3Very low173 Ų173148 Ų14891%0.90679%0.786SS**  -168.3137.8105.1-100.4163.1000113.4
52A38.4Very low36.2Very low74 Ų74143.9 Ų143.961%0.61278%0.783SS**  trans-4.1157.8164.100000123.9
53D37.3Very low36.2Very low152 Ų152143 Ų14381%0.81379%0.79SS**  trans69.897.8154.1-56-24.6000118.6
54S34.4Very low36.2Very low104 Ų104139.2 Ų139.273%0.72779%0.786SS**  77.297.568.3-174.30000113.5
55C36.9Very low36.2Very low130 Ų130138 Ų13888%0.87879%0.787SS**  -156.3140.2116.7-95.50000111
56R31.6Very low35.9Very low218 Ų218136.9 Ų136.982%0.82378%0.782SS**  trans-74154.5171.5-63.9172.6163.9116.9-5.7110
57F35.5Very low35.5Very low202 Ų202135 Ų13589%0.88678%0.776SS**  -159.1156.7116.5-115.7-76.8000111.1
58D37.6Very low35.5Very low130 Ų130136 Ų13670%0.69578%0.78SS**  trans-89.6166.3-153.7-63.2-75.7000116.7
59L32.6Very low35.1Very low150 Ų150135.5 Ų135.579%0.78578%0.777SS**  trans-60.5137.3169.5-60.7153000111.5
60N34.9Very low35.1Very low143 Ų143136.7 Ų136.777%0.76578%0.78SS**  170.2156.2106.8-93.8-41.9000116.8
61T38Very low35.1Very low110 Ų110132.7 Ų132.768%0.67577%0.772SS**  trans67.4106.5146.9480000122.6
62N33.8Very low35Very low162 Ų162130.4 Ų130.487%0.86677%0.765SS**  54.1123.8116.7-56.8-16.5000122.1
63G35Very low34.6Very low85 Ų85135.8 Ų135.888%0.87678%0.775SS**  trans122.4130.7164.700000111.9
64G32.9Very low34.7Very low68 Ų68133.9 Ų133.970%0.70177%0.771SS**  cis120.9116.32.200000111.3
65L35.6Very low34.4Very low161 Ų161135.7 Ų135.784%0.84377%0.773SS**  trans69.1150.1-176.8-7679.1000114.3
66E33.9Very low34.4Very low156 Ų156135.1 Ų135.173%0.72977%0.77SS**  cis-157.8173.4-2.2-131.2-171.7152.100111.7
67V33.1Very low34.5Very low107 Ų107133.6 Ų133.665%0.64877%0.772SS**  trans8.8149.1162.8-112.40000120.3
68V35.4Very low34.4Very low135 Ų135129.1 Ų129.182%0.81877%0.766SS**  -154.614655.9-177.10000112
69S30.2Very low34Very low99 Ų99129 Ų12969%0.69277%0.774SS**  trans-66.3172.2173.7-35.70000114.7
70V37.9Very low34.1Very low128 Ų128127 Ų12778%0.77677%0.773SS**  172.2113.6123.1153.90000111.7
71S31.9Very low34.5Very low99 Ų99125.6 Ų125.669%0.69277%0.771SS**  trans33.4129.7148.374.40000123
72T37.7Very low34.3Very low126 Ų126128.2 Ų128.277%0.77378%0.776SS**  15911899.3-72.70000112.4
73F30Very low34.4Very low187 Ų187126.6 Ų126.682%0.8278%0.777SS**  trans-78.4162.8164.6-87.8-80.6000110
74P38.9Very low34.3Very low111 Ų111128.5 Ų128.572%0.72177%0.767SS**  cis-152.9162.248.941.5-19.7000120.6
75N29.9Very low34.3Very low142 Ų142136.1 Ų136.176%0.75978%0.776SS**  trans27.7117.4139.1-52.7-9.6000120.5
76S36.4Very low34.2Very low118 Ų118136 Ų13683%0.82577%0.772SS**  -153.3133.811643.10000112.9
77E32.6Very low34.3Very low187 Ų187134.1 Ų134.187%0.87477%0.773SS**  trans-30.6152158.6-62.5157.3135.500114.7
78S34Very low34.6Very low107 Ų107137.5 Ų137.575%0.74878%0.782SS**  cis-164.1157.438.443.70000114.8
79C29.1Very low34.5Very low127 Ų127140.9 Ų140.986%0.85879%0.785SS**  trans51.7110.4149.5-64.80000122.6
80S35Very low34.7Very low110 Ų110141.9 Ų141.977%0.76979%0.791SS**  trans-84.4-155.4144.7-43.40000109.3
81P43.1Very low34.7Very low112 Ų112141.6 Ų141.673%0.72780%0.795SS**  cis-141-165.6-11.725.22.5000115.1
82E33.4Very low35.1Very low166 Ų166144.2 Ų144.278%0.77680%0.801SS**  trans84.9115.5152.5-53-150.413400121.8
83S36.4Very low35.1Very low127 Ų127143.4 Ų143.489%0.88880%0.797SS**  -142.1136.811360.60000109.8
84N33.1Very low35.5Very low126 Ų126142.5 Ų142.567%0.67480%0.799SS**  trans-121130.9-168.7-167.2-11.7000109.2
85Y33Very low35.7Very low228 Ų228142.8 Ų142.889%0.89480%0.799SS**  trans-127.7112.2-179.5-130.1-85.2000111
86Q32.9Very low36Very low159 Ų159143.6 Ų143.674%0.74380%0.798SS**  trans-75.2146.6179.1-73.7-85.2-3500112.5
87P36.2Very low36.2Very low115 Ų115145.8 Ų145.875%0.74780%0.8SS**  trans-110.8115.9153.132.6-22.8000112.4
88E39Very low36.6Very low179 Ų179143.3 Ų143.384%0.83679%0.788SS**  trans-15.8136.1159.9-68.6-81.7115.300118
89K33.3Very low36.6Very low206 Ų206143.7 Ų143.790%0.89679%0.791SS**  trans-66.6134.7171.9-65.3170.6-179.7171.80111.5
90C35.5Very low37.1Very low119 Ų119144.6 Ų144.680%0.80478%0.782SS**  trans-133.7139161.2-85.60000110.1N92C90-N92 PolarHBondContact O-N 3.25Å
91S37.5Very low37.3Very low123 Ų123145.7 Ų145.786%0.8678%0.783SS**PPolyproline II helixtrans-69.6126.2-169.9-50.40000113
92N40Very low37Very low154 Ų154147.2 Ų147.282%0.82479%0.786SS**PPolyproline II helixtrans-77132.1168.6-71.1-22.9000110.4C90C90-N92 PolarHBondContact O-N 3.25Å
93P38.3Very low37.4Very low108 Ų108144.1 Ų144.170%0.70178%0.78SS**PPolyproline II helixtrans-73.1139.7166.831.2-32.5000109.9V95P93-V95 PolarHBondContact O-N 3.2Å; P93-V95 VanDerWaalsContact O-N 3.16Å
94I37.3Very low37.4Very low168 Ų168141.9 Ų141.986%0.86278%0.777SS**  trans-68.9110.8175.7-64167.8000108.5
95V43.7Very low37.5Very low117 Ų117146.1 Ų146.171%0.70979%0.785SS**  trans-96.4116.5167.3-173.80000107.5P93 L97P93-V95 PolarHBondContact O-N 3.2Å; P93-V95 VanDerWaalsContact O-N 3.16Å; V95-L97 PolarHBondContact O-N 3.3Å
96H37.3Very low37.5Very low159 Ų159140.9 Ų140.974%0.73678%0.782SS**  trans-73.2114175.9-153.762.1000108.2
97L39.6Very low37.9Very low165 Ų165139.5 Ų139.586%0.86478%0.784SS**  trans-102.690.9178.5-151.178000108.8V95 S99V95-L97 PolarHBondContact O-N 3.3Å; L97-S99 PolarHBondContact O-N 3.29Å
98E40.5Very low37.7Very low135 Ų135138.8 Ų138.863%0.63178%0.782SS**  trans-68123.4173-77.6177122.600110.3H100E98-H100 VanDerWaalsContact C-N 3.31Å; E98-H100 PolarHBondContact O-N 3.4Å
99S34.3Very low37.7Very low115 Ų115136 Ų13680%0.80478%0.777SS**  trans-76.577.9176.758.10000111.1L97 V101L97-S99 PolarHBondContact O-N 3.29Å; S99-V101 PolarHBondContact O-N 3.18Å
100H40.5Very low37.9Very low145 Ų145132.3 Ų132.367%0.67177%0.772SS**  trans-78.198.4171.2-81.5-70.5000111.4E98 N102E98-H100 VanDerWaalsContact C-N 3.31Å; E98-H100 PolarHBondContact O-N 3.4Å; H100-N102 PolarHBondContact O-N 3.43Å
101V37.9Very low37.9Very low133 Ų133136 Ų13681%0.80678%0.777SS**  trans-62.8113162.71780000108.3S99S99-V101 PolarHBondContact O-N 3.18Å
102N37.9Very low38.2Very low145 Ų145135.2 Ų135.278%0.77577%0.772SS**  trans-119.8120.3170.2-108.5-34.9000108.8H100 G104H100-N102 PolarHBondContact O-N 3.43Å; N102-G104 PolarHBondContact O-N 3.46Å
103P41.8Very low38.1Very low100 Ų100136.4 Ų136.465%0.64977%0.773SS**  trans-75.3117.6179.629.6-32.4000110.4Y105P103-Y105 PolarHBondContact O-N 2.99Å
104G35.1Very low38Very low81 Ų81141 Ų14184%0.83578%0.782SS**  trans-72.8107.217600000112.1N102N102-G104 PolarHBondContact O-N 3.46Å
105Y35.9Very low38Very low214 Ų214138 Ų13884%0.83977%0.771SS**  trans-90109.1158.6-83.6-86.9000109.1P103P103-Y105 PolarHBondContact O-N 2.99Å
106S32.9Very low37.5Very low119 Ų119140.5 Ų140.583%0.83278%0.776SS**  trans-112.9103.3166.6-170.60000108.2
107T41.2Very low37.6Very low129 Ų129139.8 Ų139.879%0.79178%0.783SS**  trans-100.3105.7165.547.50000108.2
108S32.7Very low37.5Very low100 Ų100142.8 Ų142.870%0.69978%0.782SS**  trans-63.8159.8158.947.20000110.5
109V39.4Very low37.4Very low121 Ų121143.7 Ų143.773%0.73379%0.792SS**  158.7134.1125162.40000110.7
110T36.8Very low37.7Very low129 Ų129143.8 Ų143.879%0.79179%0.79SS**  trans54104.3168.851.50000119.5
111Q35Very low37.6Very low195 Ų195144.7 Ų144.791%0.91180%0.796SS**  trans-101.2110.8147.2-170.217331.100107.5
112S44.1Very low37.7Very low108 Ų108143 Ų14376%0.75579%0.786SS**  trans-99.1139.2169.247.20000109.9
113H38.6Very low37.7Very low179 Ų179144 Ų14483%0.82979%0.786SS**  trans-70.2136.3175.3-73.3-115.9000110.6
114F35.2Very low37.6Very low204 Ų204147.1 Ų147.190%0.89580%0.797SS**  trans-150.5151.1137.5-134.8-92.6000111.1
115T37.4Very low37.4Very low104 Ų104150.9 Ų150.964%0.63880%0.797SS**  trans-101.1151-165.743.70000113.3
116E34.1Very low37.6Very low171 Ų171146.8 Ų146.880%0.79980%0.795SS**  trans60.8116.8138.6-168.6170-153.800119.8
117T38.3Very low37.6Very low144 Ų144151.2 Ų151.288%0.88380%0.795SS**  -173.9160.3115.922.50000112.6
118R37.9Very low37.6Very low227 Ų227151.1 Ų151.186%0.85779%0.794SS**  trans-81.1155-173.6-64.5165.8161.7140.5-8.4113.3
119N38Very low37.9Very low155 Ų155149.8 Ų149.883%0.82980%0.796SS**  179.3140112.6-88.7-19.7000113.4
120P41.3Very low37.7Very low117 Ų117147.6 Ų147.676%0.7680%0.798SS**  trans-110.2155.6169.739-30.4000113.6
121M39Very low37.8Very low163 Ų163150.1 Ų150.180%0.80380%0.8SS**  trans-149.2131157.6-95.9-166.969.100107.9
122T39.1Very low37.7Very low98 Ų98147.4 Ų147.460%0.60179%0.792SS**  66.4124.670-52.10000111.1
123E38.8Very low37.4Very low166 Ų166148.3 Ų148.378%0.77679%0.794SS**  cis-169.9161.2-4-109.9166.5-164.400105.5
124L39Very low37.2Very low166 Ų166148.2 Ų148.287%0.86979%0.793SS**  166.6126.9126.3-90.1167000113.2
125N31.2Very low37.3Very low160 Ų160147 Ų14786%0.85680%0.795SS**  trans-115.8142.6170.3-89.6-35.2000109.8
126T39.5Very low37.1Very low128 Ų128146.1 Ų146.179%0.78580%0.799SS**  trans-169.5109.8153.9-660000105.3
127Y34Very low37.3Very low212 Ų212143.4 Ų143.483%0.83180%0.798SS**  81.2153.461.6-165-100.7000114.4
128V40.9Very low37.2Very low127 Ų127141.6 Ų141.677%0.7779%0.792SS**  trans73.5129.9-170.7-162.80000113.6
129G37.7Very low37.1Very low72 Ų72136.2 Ų136.274%0.74278%0.784SS**  cis174.6143.9-5.300000108.3
130G35.2Very low37.1Very low75 Ų75135.9 Ų135.977%0.77378%0.782SS**  trans-118.1161.1-174.300000113.9
131Q40Very low36.9Very low181 Ų181139.5 Ų139.585%0.84679%0.789SS**  trans-149.8138.6152-67.9-158.828.100110.6
132N32.9Very low36.8Very low139 Ų139141.7 Ų141.774%0.74379%0.788SS**  trans8.5149.1137-44.3-27.9000117.7
133T37.5Very low36.8Very low127 Ų127143.2 Ų143.278%0.77979%0.792SS**  cis-16517834.3-25.50000110.9
134E33.8Very low36.7Very low176 Ų176143 Ų14382%0.82279%0.793SS**  trans-48.7151.7175.1-54.7166.814600115.6
135L37.8Very low36.8Very low180 Ų180141.3 Ų141.394%0.94279%0.79SS**  -174.4155.5125.3-99.5165.4000111.7
136A33.8Very low37.3Very low85 Ų85143.1 Ų143.170%0.70279%0.793SS**  trans-96.7178.6-172.400000113.7
137S38.3Very low37.3Very low114 Ų114141 Ų14180%0.79778%0.783SS**  trans88.2108.5157.8-53.60000118.9
138S35.7Very low38Very low106 Ų106135.6 Ų135.674%0.74178%0.775SS**  53.7139.7118.9-160.60000121.6
139T36.1Very low38.7Very low114 Ų114136.8 Ų136.870%0.69977%0.772SS**  trans71105.8157.2-54.30000116.7
140N37.4Very low39Very low148 Ų148140.7 Ų140.779%0.79177%0.769SS**  trans-158.5103.1131.6-104.2-56.7000111.4R142N140-R142 PolarHBondContact O-N 3.4Å
141Q37.8Very low39.7Very low193 Ų193142.8 Ų142.890%0.90276%0.761SS**  trans-72.9111.3151.3-66.5175.96.800107.2
142R37.1Very low40.4Very low208 Ų208141.6 Ų141.679%0.78575%0.753SS**  trans-155116.9160.4-150.6158.6179.7153.10.6115.3N140N140-R142 PolarHBondContact O-N 3.4Å
143L38.1Very low41.6Very low131 Ų131142.3 Ų142.369%0.68675%0.75SS**  trans55.2110.9148.7-62.4175000117.7
144M36.2Very low42.4Very low162 Ų162140.5 Ų140.580%0.79874%0.735SS**  99.416163.3-86.6-70.3172.200112.5
145T41.3Very low43.6Very low130 Ų130136.9 Ų136.980%0.79872%0.721SS**  trans63.488.9171.265.30000118
146Q42.5Very low44.6Very low198 Ų198138 Ų13893%0.92571%0.713SS**SBend-143.8133.4123.7-71.5-154.411.500111.7
147S38.7Very low45.8Very low82 Ų82138.4 Ų138.457%0.57370%0.702SS**  trans55.7104.1166.5-159.50000121.4Q149S147-Q149 PolarHBondContact O-N 3.44Å; S147-Q149 VanDerWaalsContact O-N 3.14Å
148P49.2Very low46.7Very low100 Ų100140.1 Ų140.165%0.64970%0.696SS**THydrogen-bonded Turntrans-701.3170.4-19.333.1000116.5
149Q55.5Low48Very low151 Ų151143 Ų14371%0.70670%0.695SS**Hα-helixtrans-72.9-35.9-173.4-71.1-82.4-3.700112.8S147S147-Q149 PolarHBondContact O-N 3.44Å; S147-Q149 VanDerWaalsContact O-N 3.14Å
150F44.9Very low48.7Very low155 Ų155144.9 Ų144.968%0.6869%0.69SS**Hα-helixtrans-73.6-38.9-170.9-152.6-100.7000113.2K152 K153 L154F150-K152 VanDerWaalsContact C-N 3.34Å; F150-K152 PolarHBondContact O-N 3.15Å; F150-K153 PolarHBondContact O-N 3.31Å; F150-L154 HydrophobicContact CD1-CD1 4.13Å; F150-L154 HydrophobicContact CE1-CD1 4.1Å; F150-L154 PolarHBondContact O-N 3.4Å
151L49.5Very low49.6Very low119 Ų119143.8 Ų143.862%0.62368%0.683SS**Hα-helixtrans-67.6-29.5-179.2-83.5160.4000113.6K153 N155L151-K153 VanDerWaalsContact C-N 3.31Å; L151-K153 PolarHBondContact O-N 3.05Å; L151-N155 WeakPolarHBondContact O-CB 3.4Å; L151-N155 PolarHBondContact O-N 3.42Å; L151-N155 VanDerWaalsContact O-N 3.09Å
152K55.5Low50.5Low156 Ų156139.1 Ų139.168%0.67867%0.668SS**Hα-helixtrans-68-31.4174.5-65.7-174.1-178.8-179.70112.1F150 R156F150-K152 VanDerWaalsContact C-N 3.34Å; F150-K152 PolarHBondContact O-N 3.15Å; K152-R156 PolarHBondContact O-N 3.37Å; K152-R156 VanDerWaalsContact O-N 3.1Å
153K57.4Low51.5Low154 Ų154132.9 Ų132.967%0.6766%0.656SS**Hα-helixtrans-73.4-43.5179.6-143.3169.5-174177.40111.5F150 L151 R156 I157F150-K153 PolarHBondContact O-N 3.31Å; L151-K153 VanDerWaalsContact C-N 3.31Å; L151-K153 PolarHBondContact O-N 3.05Å; K153-R156 PolarHBondContact O-N 3.29Å; K153-I157 WeakPolarHBondContact O-CG1 3.39Å; K153-I157 PolarHBondContact O-N 2.93Å; K153-I157 VanDerWaalsContact O-N 3.09Å
154L54.7Low52.1Low88 Ų88132.8 Ų132.846%0.46165%0.652SS.*Hα-helixtrans-64.4-39.4173.6-79.9166.8000112.8F150 R156 I157 K158F150-L154 HydrophobicContact CD1-CD1 4.13Å; F150-L154 HydrophobicContact CE1-CD1 4.1Å; F150-L154 PolarHBondContact O-N 3.4Å; L154-R156 VanDerWaalsContact C-N 3.33Å; L154-R156 PolarHBondContact O-N 3.14Å; L154-I157 PolarHBondContact O-N 3.23Å; L154-K158 PolarHBondContact O-N 3.33Å
155N57.4Low52.5Low100 Ų100132.2 Ų132.254%0.53565%0.647SS.*Hα-helixtrans-69-29.8175.6-75.7-16.6000112.9L151 K159L151-N155 WeakPolarHBondContact O-CB 3.4Å; L151-N155 PolarHBondContact O-N 3.42Å; L151-N155 VanDerWaalsContact O-N 3.09Å; N155-K159 WeakPolarHBondContact O-CB 3.41Å; N155-K159 PolarHBondContact O-N 3.36Å
156R59.7Low52.4Low203 Ų203131.4 Ų131.477%0.76664%0.641SS**Hα-helixtrans-69.9-39.7173.3-148.4173.9-164.4169.23.6111.9K152 K153 L154 K159 Y160K152-R156 PolarHBondContact O-N 3.37Å; K152-R156 VanDerWaalsContact O-N 3.1Å; K153-R156 PolarHBondContact O-N 3.29Å; L154-R156 VanDerWaalsContact C-N 3.33Å; L154-R156 PolarHBondContact O-N 3.14Å; R156-K159 PolarHBondContact O-N 3.47Å; R156-Y160 PolarHBondContact O-N 2.95Å
157I59.4Low52.3Low95 Ų95128.2 Ų128.249%0.48764%0.636SS.*Hα-helixtrans-68-43.8175.2-66.7167.2000111K153 L154 K159 Y160 I161K153-I157 WeakPolarHBondContact O-CG1 3.39Å; K153-I157 PolarHBondContact O-N 2.93Å; K153-I157 VanDerWaalsContact O-N 3.09Å; L154-I157 PolarHBondContact O-N 3.23Å; I157-K159 VanDerWaalsContact C-N 3.33Å; I157-K159 PolarHBondContact O-N 3.14Å; I157-Y160 PolarHBondContact O-N 3.06Å; I157-I161 HydrophobicContact CG2-CD1 3.88Å; I157-I161 WeakPolarHBondContact O-CG1 3.42Å; I157-I161 PolarHBondContact O-N 2.97Å
158K57Low52.2Low150 Ų150133.4 Ų133.465%0.65264%0.644SS**Hα-helixtrans-57.2-45.4171.2-84.9-171.8172.1-176.80111.5L154 Y160 I161 T162L154-K158 PolarHBondContact O-N 3.33Å; K158-Y160 VanDerWaalsContact C-N 3.29Å; K158-Y160 PolarHBondContact O-N 3.17Å; K158-I161 PolarHBondContact O-N 3.25Å; K158-T162 PolarHBondContact O-N 3.5Å; K158-T162 PolarHBondContact O-OG1 3.27Å
159K62.4Low52.2Low166 Ų166134.3 Ų134.372%0.72265%0.65SS**Hα-helixtrans-62.7-33.9178.7-156.9170.8-171.7178.90112.9N155 R156 I157 S163N155-K159 WeakPolarHBondContact O-CB 3.41Å; N155-K159 PolarHBondContact O-N 3.36Å; R156-K159 PolarHBondContact O-N 3.47Å; I157-K159 VanDerWaalsContact C-N 3.33Å; I157-K159 PolarHBondContact O-N 3.14Å; K159-S163 WeakPolarHBondContact O-CB 3.39Å; K159-S163 PolarHBondContact O-N 3.43Å; K159-S163 PolarHBondContact O-OG 3.37Å
160Y51.3Low51.6Low154 Ų154136 Ų13660%0.60466%0.658SS**Hα-helixtrans-71.4-37.7175.3-129.8-93.8000112.9R156 I157 K158 T162 S163 H164R156-Y160 PolarHBondContact O-N 2.95Å; I157-Y160 PolarHBondContact O-N 3.06Å; K158-Y160 VanDerWaalsContact C-N 3.29Å; K158-Y160 PolarHBondContact O-N 3.17Å; Y160-T162 VanDerWaalsContact C-N 3.34Å; Y160-S163 WeakPolarHBondContact CA-OG 3.47Å; Y160-S163 PolarHBondContact O-N 3.41Å; Y160-S163 PolarHBondContact O-OG 2.8Å; Y160-H164 AromaticContact CD1-CD2 3.54Å; Y160-H164 AromaticContact CD1-NE2 3.75Å; Y160-H164 AromaticContact CE1-CD2 3.6Å; Y160-H164 AromaticContact CE1-NE2 3.27Å; Y160-H164 VanDerWaalsContact CE1-NE2 3.27Å; Y160-H164 WeakPolarHBondContact CE1-NE2 3.38Å; Y160-H164 PolarHBondContact O-CD2 3.43Å; Y160-H164 PolarHBondContact O-N 3.44Å
161I55.6Low51.2Low124 Ų124136.4 Ų136.464%0.63667%0.666SS**Hα-helixtrans-71.7-31175.7-65.1168000110.9I157 K158I157-I161 HydrophobicContact CG2-CD1 3.88Å; I157-I161 WeakPolarHBondContact O-CG1 3.42Å; I157-I161 PolarHBondContact O-N 2.97Å; K158-I161 PolarHBondContact O-N 3.25Å
162T57.2Low51.3Low96 Ų96136.4 Ų136.459%0.58967%0.672SS**Hα-helixtrans-77.3-28.9172.8-43.60000113.1K158 Y160K158-T162 PolarHBondContact O-N 3.5Å; K158-T162 PolarHBondContact O-OG1 3.27Å; Y160-T162 VanDerWaalsContact C-N 3.34Å
163S57.2Low51.3Low77 Ų77135 Ų13554%0.53868%0.678SS.*Hα-helixtrans-81.5-15.2178.4650000114.6K159 Y160K159-S163 WeakPolarHBondContact O-CB 3.39Å; K159-S163 PolarHBondContact O-N 3.43Å; K159-S163 PolarHBondContact O-OG 3.37Å; Y160-S163 WeakPolarHBondContact CA-OG 3.47Å; Y160-S163 PolarHBondContact O-N 3.41Å; Y160-S163 PolarHBondContact O-OG 2.8Å
164H50.8Low50.8Low128 Ų128133 Ų13359%0.59368%0.679SS**THydrogen-bonded Turntrans-102.433.4174.7-75.6-70.3000113Y160 V166Y160-H164 AromaticContact CD1-CD2 3.54Å; Y160-H164 AromaticContact CD1-NE2 3.75Å; Y160-H164 AromaticContact CE1-CD2 3.6Å; Y160-H164 AromaticContact CE1-NE2 3.27Å; Y160-H164 VanDerWaalsContact CE1-NE2 3.27Å; Y160-H164 WeakPolarHBondContact CE1-NE2 3.38Å; Y160-H164 PolarHBondContact O-CD2 3.43Å; Y160-H164 PolarHBondContact O-N 3.44Å; H164-V166 PolarHBondContact O-N 3.07Å
165Q44.8Very low50.3Low151 Ų151132.7 Ų132.771%0.70668%0.684SS**  trans-62.7125157-71.7-165.3-9.200108.6T167Q165-T167 PolarHBondContact O-N 3.38Å
166V40.6Very low50Low112 Ų112135.8 Ų135.868%0.67970%0.695SS**  trans-65107.7173.4175.20000107.6H164 Y168H164-V166 PolarHBondContact O-N 3.07Å; V166-Y168 WeakPolarHBondContact O-CD2 3.24Å; V166-Y168 PolarHBondContact O-N 3.37Å
167T39.3Very low49.6Very low132 Ų132132.9 Ų132.981%0.8170%0.695SS**  trans-65.7101.1175.9-56.50000109.4Q165Q165-T167 PolarHBondContact O-N 3.38Å
168Y37.7Very low49.2Very low190 Ų190132.7 Ų132.775%0.74570%0.698SS**PPolyproline II helixtrans-65.7146.1162.2-70.3-89.1000109.4V166 Q170V166-Y168 WeakPolarHBondContact O-CD2 3.24Å; V166-Y168 PolarHBondContact O-N 3.37Å; Y168-Q170 PolarHBondContact O-N 3.26Å
169P48.1Very low48.6Very low119 Ų119131.5 Ų131.577%0.77370%0.698SS**PPolyproline II helixtrans-58.3123.5177.3-21.232.2000110.4L171P169-L171 PolarHBondContact O-N 3.01Å
170Q43.3Very low48.1Very low186 Ų186127.4 Ų127.487%0.86969%0.687SS**PPolyproline II helixtrans-68.1119.8168.1-85.3-147.2-8.900109.1Y168Y168-Q170 PolarHBondContact O-N 3.26Å
171L36.9Very low48.1Very low164 Ų164129.5 Ų129.586%0.85969%0.694SS**PPolyproline II helixtrans-66.4134.5163-70.2168.6000108.7P169P169-L171 PolarHBondContact O-N 3.01Å
172T51.6Low47.6Very low120 Ų120128.3 Ų128.374%0.73669%0.692SS**PPolyproline II helixtrans-58.6141.7-178.744.20000111.5V174T172-V174 PolarHBondContact O-N 2.83Å; T172-V174 VanDerWaalsContact O-N 3.08Å
173P54.6Low47.3Very low126 Ų126126.8 Ų126.882%0.81869%0.685SS**  trans-68.3111179.227.4-33.3000110.3
174V46.8Very low46.9Very low113 Ų113129.5 Ų129.569%0.68569%0.689SS**  trans-63.8137.2167.6177.50000108.7T172 V178T172-V174 PolarHBondContact O-N 2.83Å; T172-V174 VanDerWaalsContact O-N 3.08Å; V174-V178 HydrophobicContact CG1-CG2 4.16Å
175S45.3Very low46.9Very low80 Ų80130.1 Ų130.156%0.55970%0.696SS**  trans-55.5140.5-172.557.20000113.3N177 V178S175-N177 PolarHBondContact O-N 3.34Å; S175-V178 PolarHBondContact O-N 3.36Å
176Q49.7Very low47.1Very low166 Ų166127.7 Ų127.778%0.77670%0.695SS**G310 helixtrans-57.2-20.1-174.6-74.1173-47.500114.3V178 L179Q176-V178 PolarHBondContact O-N 2.99Å; Q176-V178 VanDerWaalsContact O-N 3.13Å; Q176-L179 PolarHBondContact O-N 2.93Å; Q176-L179 VanDerWaalsContact O-N 3.15Å
177N52.6Low47.6Very low141 Ų141128.7 Ų128.775%0.75470%0.697SS**G310 helixtrans-64.1-13178.1-72.9-14000114.9S175S175-N177 PolarHBondContact O-N 3.34Å
178V50.4Low48.2Very low91 Ų91130 Ų13055%0.55269%0.694SS**G310 helixtrans-87.4-25.5175.5-175.40000112.3V174 S175 Q176V174-V178 HydrophobicContact CG1-CG2 4.16Å; S175-V178 PolarHBondContact O-N 3.36Å; Q176-V178 PolarHBondContact O-N 2.99Å; Q176-V178 VanDerWaalsContact O-N 3.13Å
179L44.9Very low48.4Very low126 Ų126131.6 Ų131.666%0.6670%0.698SS**THydrogen-bonded Turntrans-78.2-31.7-176.4-92.4156.5000113.4Q176 R181 V182 S183Q176-L179 PolarHBondContact O-N 2.93Å; Q176-L179 VanDerWaalsContact O-N 3.15Å; L179-R181 VanDerWaalsContact C-N 3.29Å; L179-R181 PolarHBondContact O-N 2.95Å; L179-V182 PolarHBondContact O-N 2.94Å; L179-V182 VanDerWaalsContact O-N 3.1Å; L179-S183 PolarHBondContact O-N 3.21Å
180T52.1Low48.1Very low79 Ų79132.8 Ų132.849%0.48570%0.704SS.*Hα-helixtrans-63.1-31.8-176.7-370000113.3V182 S183T180-V182 VanDerWaalsContact C-N 3.33Å; T180-V182 PolarHBondContact O-N 3.1Å; T180-S183 WeakPolarHBondContact CA-OG 3.44Å; T180-S183 PolarHBondContact O-OG 2.66Å
181R49.6Very low48.2Very low198 Ų198130.4 Ų130.475%0.74770%0.696SS**Hα-helixtrans-76-16.4177-75.2-168174.2-179.40.2114.5L179L179-R181 VanDerWaalsContact C-N 3.29Å; L179-R181 PolarHBondContact O-N 2.95Å
182V45.8Very low48.3Very low100 Ų100129.3 Ų129.361%0.60669%0.691SS**Hα-helixtrans-85.5-29.5176-173.80000110.8L179 T180L179-V182 PolarHBondContact O-N 2.94Å; L179-V182 VanDerWaalsContact O-N 3.1Å; T180-V182 VanDerWaalsContact C-N 3.33Å; T180-V182 PolarHBondContact O-N 3.1Å
183S50.3Low47.9Very low63 Ų63134.1 Ų134.144%0.44170%0.701SS.*Hα-helixtrans-69.4-28.8173.237.20000114.3L179 T180L179-S183 PolarHBondContact O-N 3.21Å; T180-S183 WeakPolarHBondContact CA-OG 3.44Å; T180-S183 PolarHBondContact O-OG 2.66Å
184E50.6Low47.5Very low134 Ų134132.6 Ų132.663%0.62669%0.694SS**Hα-helixtrans-74.7-31.5-178.8-71.4175.6157.300113
185I50.4Low47.4Very low142 Ų142136.6 Ų136.673%0.72870%0.702SS**Hα-helixtrans-77.8-25.2179.7-59.9175000111.6N187I185-N187 VanDerWaalsContact C-N 3.33Å; I185-N187 PolarHBondContact O-N 3.41Å
186S49.3Very low47.3Very low99 Ų99140.8 Ų140.869%0.69272%0.716SS**THydrogen-bonded Turntrans-76.8-13.6-177.8-167.80000114.8
187N50.2Low46.7Very low134 Ų134140.8 Ų140.872%0.71772%0.722SS**THydrogen-bonded Turntrans-97.3-1.3-175.5-73.5-25.4000114.2I185I185-N187 VanDerWaalsContact C-N 3.33Å; I185-N187 PolarHBondContact O-N 3.41Å
188Q51.1Low45.9Very low160 Ų160138.3 Ų138.375%0.74872%0.721SS**SBendtrans-117.162.2-174.8-157.869.534.200112.8
189R43.7Very low45.3Very low222 Ų222140.5 Ų140.584%0.83873%0.734SS**  trans-168.470.3160.1-105.9159.5-153-155.26.2112.7I191R189-I191 HydrophobicContact CG-CD1 4.11Å; R189-I191 HydrophobicContact CG-CG1 4.41Å; R189-I191 PolarHBondContact O-N 3.36Å
190T40.1Very low44.8Very low145 Ų145139.9 Ų139.989%0.8974%0.739SS**  trans-66.3108.8155.8-18.20000107.8
191I46.9Very low43.9Very low135 Ų135146.5 Ų146.569%0.69276%0.757SS**  trans-128.8132.7170.9-61.4-178.8000107.7R189R189-I191 HydrophobicContact CG-CD1 4.11Å; R189-I191 HydrophobicContact CG-CG1 4.41Å; R189-I191 PolarHBondContact O-N 3.36Å
192D38.1Very low43.3Very low141 Ų141142.5 Ų142.575%0.75475%0.75SS**  trans-64.1132.3-163.5-68-55.4000115.1S194D192-S194 PolarHBondContact O-N 3.06Å; D192-S194 VanDerWaalsContact O-N 3.08Å
193K42.6Very low42.8Very low221 Ų221144.7 Ų144.796%0.96175%0.752SS**SBendtrans-8236.7177.6-68.1-177.5174.3177.30113.8
194S46.3Very low42.2Very low94 Ų94151.4 Ų151.466%0.65777%0.767SS**  trans-114.33.4-169.160.40000116.2D192D192-S194 PolarHBondContact O-N 3.06Å; D192-S194 VanDerWaalsContact O-N 3.08Å
195K46.1Very low41.5Very low197 Ų197151 Ų15186%0.85777%0.774SS**  trans-134.760-178.8-69.3-176.1179.3174.70114.5
196I41.7Very low41Very low168 Ų168150.4 Ų150.486%0.86278%0.777SS**  trans-132.389.3160.4-56-179.2000108.5
197N37.3Very low40.4Very low167 Ų167155.7 Ų155.789%0.89379%0.787SS**  trans-158.6145.4163.5-105.6-29000110
198A37.3Very low40Very low89 Ų89155.3 Ų155.374%0.73679%0.79SS**  trans77.2147.1174.400000119.1
199V37.2Very low39.3Very low137 Ų137153.6 Ų153.683%0.8380%0.796SS**  trans69.8111.3167.9-158.90000114.4
200C34.1Very low39.2Very low113 Ų113148.3 Ų148.376%0.76479%0.792SS**  -158.5136.853.5-152.80000113.5
201Y33.7Very low39.1Very low218 Ų218146.4 Ų146.486%0.85579%0.792SS**  trans-106.8155.6160.2-103.9-83.7000109.5
202N37Very low38.8Very low114 Ų114143.7 Ų143.761%0.6179%0.789SS**  trans83.4110166.1-74.3-72.6000120.4
203K35.5Very low38.5Very low146 Ų146143.1 Ų143.164%0.63580%0.795SS**  91.4117.8119.6-74.4171.8-176.6126.80120.7
204R38Very low38.3Very low204 Ų204139.6 Ų139.677%0.7779%0.786SS**  88.6111.5126-76.5-179.2-165.6165.21.4120.1
205T35.4Very low37.8Very low125 Ų125141.2 Ų141.277%0.76779%0.792SS**  50.9108.5127.362.30000119.7
206V38.9Very low37.3Very low129 Ų129139.8 Ų139.878%0.78279%0.79SS**  trans-140.7135.3136.5179.30000108.4T208V206-T208 HydrophobicContact CG1-CG2 3.97Å
207K37.5Very low37Very low210 Ų210138 Ų13891%0.91379%0.787SS**  trans-94.5125.9160.6-78.8-178174.8-177.30107.6
208T41.3Very low37.2Very low127 Ų127135.2 Ų135.278%0.77978%0.776SS**  trans-142.9126.716242.20000109.8V206V206-T208 HydrophobicContact CG1-CG2 3.97Å
209S36.9Very low37.3Very low124 Ų124136.7 Ų136.787%0.86778%0.778SS**  trans-68.8123.4166.5480000110.7
210S41Very low37.5Very low110 Ų110137.5 Ų137.577%0.76978%0.776SS**  trans-167.9137.2150.3-172.70000109A212S210-A212 PolarHBondContact O-N 3.09Å
211A38.1Very low38.1Very low106 Ų106137.5 Ų137.588%0.87678%0.777SS**  trans-76.4116.117200000109.5
212A41.4Very low38.5Very low77 Ų77136.8 Ų136.864%0.63678%0.779SS**  trans-141116.616800000109S210 N214S210-A212 PolarHBondContact O-N 3.09Å; A212-N214 PolarHBondContact O-N 3.09Å
213C32.2Very low38.7Very low129 Ų129136.1 Ų136.187%0.87278%0.783SS**  trans-65.9111.3179.2-57.70000110.3
214N38.4Very low38.8Very low147 Ų147136.4 Ų136.479%0.78679%0.791SS**  trans-108.4101.8169.8-82.3-38.8000110A212 M216A212-N214 PolarHBondContact O-N 3.09Å; N214-M216 PolarHBondContact O-N 3.36Å
215V35.8Very low38.7Very low128 Ų128134 Ų13478%0.77679%0.793SS**  trans-70.2111.1172.7177.40000108.9V217V215-V217 HydrophobicContact CG1-CG2 3.83Å
216M34.2Very low38.6Very low167 Ų167138.6 Ų138.682%0.82380%0.798SS**  trans-98102.1168.3-83.2-93-74.600109.1N214N214-M216 PolarHBondContact O-N 3.36Å
217V35.1Very low38.3Very low130 Ų130139.8 Ų139.879%0.78880%0.799SS**  trans-83.2114.2172.2-177.30000109.1V215V215-V217 HydrophobicContact CG1-CG2 3.83Å
218V41.5Very low38.3Very low110 Ų110137.5 Ų137.567%0.66780%0.795SS**  trans-107.5128.7168.6-1790000108.2
219P41.2Very low37.8Very low120 Ų120134.1 Ų134.178%0.77979%0.786SS**PPolyproline II helixtrans-72.4142.6-177.928.6-34.1000112.5
220I40.6Very low37.6Very low153 Ų153136.4 Ų136.479%0.78578%0.783SS**PPolyproline II helixtrans-81.1133.3-168.5-64161000112
221S45.6Very low37.3Very low113 Ų113138 Ų13879%0.7978%0.782SS**PPolyproline II helixtrans-90.1142.1157.657.20000110.4S223S221-S223 PolarHBondContact O-N 3.04Å
222K43.7Very low37.6Very low204 Ų204138.6 Ų138.689%0.88777%0.774SS**SBendtrans-77.4113.9-163.2-59.8169.5-180175.50113.9
223S39.7Very low37.5Very low100 Ų100140.3 Ų140.370%0.69977%0.772SS**  175.1154126.8520000111S221S221-S223 PolarHBondContact O-N 3.04Å
224D39Very low37.8Very low151 Ų151140.8 Ų140.881%0.80777%0.766SS**  trans70.770.5168.7-53.2-12.7000117.7
225L35.9Very low37.9Very low155 Ų155142 Ų14281%0.81277%0.768SS**  trans-93.6106.3154.4-89.1165000109.9
226Y31.8Very low38Very low221 Ų221141.5 Ų141.587%0.86777%0.765SS**  trans-100.3100.4155.2-94.6-83.9000108.9I228Y226-I228 PolarHBondContact O-N 3.28Å
227L33.6Very low38Very low154 Ų154140.7 Ų140.781%0.80676%0.764SS**  trans-8897.4171-157.679.1000108.2G229L227-G229 PolarHBondContact O-N 3.37Å
228I36.4Very low38.1Very low161 Ų161139.7 Ų139.783%0.82676%0.76SS**  trans-79.4104.4161.9-64.7-178.8000106.2Y226Y226-I228 PolarHBondContact O-N 3.28Å
229G31.3Very low38Very low57 Ų57144.1 Ų144.159%0.58877%0.77SS**  trans-71.6135.317700000111.3L227L227-G229 PolarHBondContact O-N 3.37Å
230H33.3Very low37.7Very low172 Ų172143.6 Ų143.680%0.79677%0.77SS**  trans-12290.3152.1-141.7-65.3000107.5V232H230-V232 WeakPolarHBondContact ND1-CG2 3.43Å; H230-V232 PolarHBondContact O-N 3.48Å
231L34.3Very low37.5Very low144 Ų144141.7 Ų141.775%0.75477%0.765SS**  trans-72.4120.9163.2-121.578.3000106.8
232V45Very low37Very low118 Ų118146 Ų14672%0.71577%0.769SS**  trans-121.9100.2158.4-176.20000105.7H230H230-V232 WeakPolarHBondContact ND1-CG2 3.43Å; H230-V232 PolarHBondContact O-N 3.48Å
233N39.4Very low36.8Very low112 Ų112140.9 Ų140.960%0.59976%0.757SS**  trans-91.1168.1169.6-70-6000109.4
234N38.8Very low36.5Very low139 Ų139140.7 Ų140.774%0.74376%0.756SS**  trans84.595.8174-47.4-2.4000111.8
235E38.7Very low36.4Very low174 Ų174141 Ų14181%0.81376%0.757SS**  72.5101.285-73.9-169.7157.300111.5
236T39Very low36.6Very low117 Ų117139 Ų13972%0.71876%0.757SS**  86.396.489.4-57.10000111.6
237D33.8Very low37Very low150 Ų150134.5 Ų134.580%0.80275%0.752SS**  trans-175.6128.2135-105.8-23.4000112.2
238P37.2Very low37.3Very low109 Ų109135.1 Ų135.171%0.70875%0.751SS**  trans-116.6117.9168.735.1-23.8000112.9
239K39.2Very low37.3Very low202 Ų202134 Ų13488%0.87875%0.747SS**  trans-170.8147.7163.5-89.7130.4-175.1179.10106.8
240S36Very low37.4Very low110 Ų110137.8 Ų137.877%0.76975%0.752SS**  cis-153.3148.81.750.20000112.2
241V35.6Very low37.6Very low112 Ų112137.8 Ų137.868%0.67975%0.752SS**  trans-35.7140.2157.7170.80000114.6
242F34.4Very low37.5Very low203 Ų203140 Ų14089%0.8975%0.752SS**  -163.4149.6117.4-94.4-71.7000111.4
243P39.3Very low37.1Very low97 Ų97141.5 Ų141.563%0.6376%0.756SS**  trans-124.7-162-160.744.8-31000115
244S35.1Very low36.8Very low96 Ų96140.7 Ų140.767%0.67176%0.759SS**  trans70.9135.7172.816.40000114.5
245D36.2Very low36.9Very low157 Ų157139.4 Ų139.484%0.8476%0.758SS**  cis-146.5-179.64.2-92.5-38.8000109
246S39.6Very low36.6Very low114 Ų114136.7 Ų136.780%0.79775%0.753SS**  cis-152.2-162.726.768.70000115.4
247T39.9Very low36.5Very low126 Ų126137 Ų13777%0.77376%0.76SS**  trans-96.2162.7-162.5-25.70000116.3
248E40.3Very low36.4Very low168 Ų168137.1 Ų137.179%0.78576%0.761SS**  trans117.8130.9155.5-67.2-164.5-163.700114.7
249N37.4Very low36.1Very low137 Ų137140.5 Ų140.573%0.73377%0.772SS**  cis-148.4146.8-4.8-124.2-43.8000109.7
250I33.8Very low35.6Very low137 Ų137141.1 Ų141.170%0.70377%0.77SS**  trans-114134.9-174.3-66.3172.8000110Y252I250-Y252 HydrophobicContact CG2-CD2 3.53Å; I250-Y252 HydrophobicContact CG2-CE2 4.02Å
251H37.4Very low35.6Very low171 Ų171143.8 Ų143.879%0.79277%0.774SS**  trans-133.2103.7152-158.9-22.2000109.1D253H251-D253 IonicContact CE1-OD2 2.65Å
252Y31.7Very low35.5Very low192 Ų192142.7 Ų142.775%0.75377%0.771SS**  trans-78.2147.1159.5-85.9-91.5000108.5I250I250-Y252 HydrophobicContact CG2-CD2 3.53Å; I250-Y252 HydrophobicContact CG2-CE2 4.02Å
253D37.5Very low35.8Very low148 Ų148139.2 Ų139.279%0.79177%0.769SS**  trans-148.8141.4134.3-108-35.5000111.4H251H251-D253 IonicContact CE1-OD2 2.65Å
254S33.1Very low35.8Very low95 Ų95142.2 Ų142.266%0.66478%0.78SS**  trans-151.7135.3176.3177.20000105.7
255P39.7Very low35.8Very low112 Ų112146.5 Ų146.573%0.72779%0.786SS**  -147.7142.4109.433-15.8000116
256V32.7Very low35.8Very low117 Ų117147.8 Ų147.871%0.70979%0.79SS**  24.3117.1128.4-172.20000117.7
257S37.5Very low35.9Very low123 Ų123151.7 Ų151.786%0.8679%0.792SS**  trans-154.2115.2144.1-83.40000111.4
258N29.9Very low36.2Very low154 Ų154152 Ų15282%0.82480%0.796SS**  trans-72.3130.7171.4-70.4-64.7000110.2
259L32.8Very low36.1Very low180 Ų180148.4 Ų148.494%0.94279%0.79SS**  trans-143.1146.7149.1-95.8-178.9000111.8
260Y28.9Very low36.2Very low214 Ų214147.7 Ų147.784%0.83979%0.793SS**  trans-121.9108.8-154.6-161.9-82.7000108.9
261I34.7Very low36.6Very low167 Ų167148.5 Ų148.586%0.85680%0.798SS**  trans-131.7130.2176.5-57.4-175.9000111.1
262S34Very low36.7Very low88 Ų88145.9 Ų145.962%0.61580%0.797SS**  trans-79.2149.8-168.7-66.50000114.3N264S262-N264 PolarHBondContact O-N 2.98Å
263P40.9Very low37.3Very low130 Ų130145.9 Ų145.984%0.84481%0.806SS**  trans-76.7109.916531.5-31000109.8
264N38.2Very low37.3Very low161 Ų161146.2 Ų146.286%0.86181%0.807SS**  trans-78.8147.2178.9-122.6-24000112.2S262S262-N264 PolarHBondContact O-N 2.98Å
265K35.1Very low37.2Very low185 Ų185146.4 Ų146.480%0.80481%0.807SS**  trans-77.6141.6-168.9-54.3157.5-176164.50111.7
266M37.4Very low37.1Very low185 Ų185149.3 Ų149.391%0.91181%0.813SS**  trans-149.3133.5136.6-97-55.6141.400110.5
267K40.9Very low37.2Very low196 Ų196148 Ų14885%0.85281%0.809SS**  trans-123.3141.3172.8-76.7-177.8172.4-172.90108.6
268P46.3Very low37.1Very low131 Ų131154 Ų15485%0.85181%0.813SS**PPolyproline II helixtrans-81.3131.2154.7-7.826.3000109.9
269S38.8Very low37.4Very low94 Ų94152.2 Ų152.266%0.65781%0.813SS**PPolyproline II helixtrans-91.5140175.149.60000112.1
270P39.8Very low37.7Very low122 Ų122152.2 Ų152.279%0.79281%0.813SS**PPolyproline II helixtrans-89.9117.8163.332.9-27.2000110.4
271N40.3Very low38Very low153 Ų153148.4 Ų148.482%0.81881%0.807SS**PPolyproline II helixtrans-103.7118.6170.7-79.7-7.7000110.1
272P40.2Very low38.2Very low117 Ų117149.1 Ų149.176%0.7680%0.804SS**PPolyproline II helixtrans-100141162.935.2-27.8000110.8
273M44.8Very low38.2Very low192 Ų192150.5 Ų150.595%0.94681%0.812SS**  trans-143.4145.5155.8-102.5-157.772.600111.9
274L37.8Very low37.9Very low155 Ų155149 Ų14981%0.81280%0.804SS**  trans-100.7151.9-171-97.1155.4000111.6
275C29.7Very low37.7Very low99 Ų99150.5 Ų150.567%0.66981%0.807SS**  trans53.7120.2140.4-157.40000119.3
276M37.6Very low37.7Very low172 Ų172147.2 Ų147.285%0.84781%0.807SS**  -167.1158.9103.9-82-118.980.900109.8
277S34.5Very low37.7Very low91 Ų91143.3 Ų143.364%0.63680%0.797SS**  trans-105.7152.7-166.434.70000113.4
278R37.2Very low37.4Very low248 Ų248142.3 Ų142.394%0.93680%0.796SS**  176.6145125.7-95.2161.9-170.6-147.11.2112.7
279S35.7Very low36.8Very low117 Ų117140.9 Ų140.982%0.81879%0.789SS**  trans-81.4158.4178.9-36.90000112.4
280L37.9Very low36.6Very low179 Ų179145.9 Ų145.994%0.93780%0.799SS**  trans-155.5155.2138.3-111.5156.2000110.8
281D36.4Very low36.3Very low134 Ų134146.7 Ų146.772%0.71780%0.796SS**  trans-116.1158.3-157.3-122.5-31.4000111.7
282K38.2Very low36Very low182 Ų182148 Ų14879%0.79180%0.796SS**  trans79.1161.6150.8-72.6176.7179-1760122.9
283C33.5Very low35.6Very low118 Ų118145.8 Ų145.880%0.79778%0.784SS**  trans75.3116.9175.8-64.30000115.7
284S35.4Very low35Very low97 Ų97145.8 Ų145.868%0.67878%0.779SS**  cis114.1117.420.264.50000111.1
285E33.8Very low35Very low194 Ų194146.9 Ų146.991%0.90778%0.78SS**  trans38.6117.6153-61.4179.8128.800120.7
286S35.4Very low35.1Very low116 Ų116149.7 Ų149.781%0.81178%0.783SS**  -172.3117.1114.262.10000114.4
287S36.5Very low35.2Very low102 Ų102148.7 Ų148.771%0.71379%0.786SS**  trans18.3129138.4-630000123.6
288Q36Very low35.1Very low175 Ų175150.7 Ų150.782%0.81879%0.79SS**  84.5119.7125.6-68.4176.931.500122.8
289S32.6Very low34.9Very low102 Ų102146.3 Ų146.371%0.71379%0.785SS**  trans57122.4137.564.70000121.6
290F34.7Very low34.5Very low198 Ų198150.5 Ų150.587%0.86879%0.789SS**  -151.9147.1117.3-134.3-100.5000111.2
291I33.4Very low34.5Very low139 Ų139147.6 Ų147.671%0.71378%0.781SS**  trans-111.4135.8170.8-69.1175.5000107.3
292H33.7Very low34.2Very low181 Ų181152.5 Ų152.584%0.83879%0.789SS**  trans-148.9151.6147.1-135.3-91.6000111.8
293S32.2Very low33.8Very low70 Ų70149.1 Ų149.149%0.4979%0.788SS.*  trans-117172.9-164.2-62.40000113.3
294F32.8Very low33.7Very low192 Ų192148.4 Ų148.484%0.84279%0.785SS**  trans79.3145.2168.7-50.8-70.7000114.3
295Q37Very low33.4Very low179 Ų179151.7 Ų151.784%0.83679%0.789SS**  cis-148.1164.438.3-170.7165.7-12.800114.6
296E33.1Very low33.2Very low158 Ų158149.3 Ų149.374%0.73878%0.783SS**  trans-73.2155.5-177.4-58.8144.4128.700114.4
297V38.3Very low33.2Very low151 Ų151149.2 Ų149.292%0.91578%0.78SS**  -151.5140.5127.4-129.10000111.7
298D32.4Very low32.9Very low132 Ų132151.1 Ų151.171%0.70679%0.787SS**  trans-78.9155.1178-63.2-74.7000114.3
299N34.6Very low32.7Very low156 Ų156149.7 Ų149.783%0.83479%0.79SS**  170.8127118.4-91.6-55.7000112.6
300F27.3Very low32.9Very low206 Ų206153.6 Ų153.690%0.90480%0.797SS**  trans-156.1123.5164-116.2-75.8000110.7
301P37.1Very low32.8Very low118 Ų118149.6 Ų149.677%0.76679%0.789SS**  trans-97.1155.4171.434.1-30000114
302R29.4Very low32.7Very low237 Ų237148.4 Ų148.489%0.89479%0.792SS**  trans-52.9169.1160.7-64171.3-176.6-145.3-3111.3
303S31Very low32.6Very low110 Ų110145.5 Ų145.577%0.76979%0.787SS**  cis-168.2174.817.10.30000107.8
304S30.7Very low32.6Very low103 Ų103149.2 Ų149.272%0.7281%0.807SS**  cis-167.2165.2-6.841.90000110.7
305E29.4Very low32.5Very low166 Ų166147.6 Ų147.678%0.77681%0.806SS**  trans13.5110.5147.9-58.5179.3-172.200120.6
306N28.8Very low32.3Very low145 Ų145144.5 Ų144.578%0.77580%0.799SS**  162.4159.298.2-87.1-40.8000113.2
307P35.2Very low32.3Very low114 Ų114143.1 Ų143.174%0.7480%0.797SS**  trans-110.5142-17138.3-28.5000115
308T31.4Very low32.1Very low141 Ų141140.5 Ų140.587%0.86578%0.784SS**  trans-150.8139.6159.132.80000110.3
309T31.3Very low32.3Very low146 Ų146142.1 Ų142.190%0.89679%0.793SS**  trans-138.1121.4169.435.40000110.3
310E37.3Very low32.4Very low184 Ų184144.4 Ų144.486%0.8680%0.795SS**  trans-117.6164.2165.5-73.1-178.5-168.300107.3
311T32.5Very low32.9Very low113 Ų113141.3 Ų141.369%0.69379%0.793SS**  cis-170.9173.2-22.6-79.60000105.2
312C30.6Very low32.8Very low115 Ų115140 Ų14078%0.77779%0.793SS**  trans74.7141.2172-69.40000117.2
313V31.3Very low33.1Very low119 Ų119132.4 Ų132.472%0.72179%0.788SS**  cis163.8134.6-20.7136.60000104
314T33.8Very low33.3Very low148 Ų148132.9 Ų132.991%0.90879%0.79SS**  trans-169.9156.2143.210.30000110.6
315L30.2Very low33.4Very low158 Ų158137.3 Ų137.383%0.82780%0.799SS**  trans-95.6166.5-158.8-78.9153.2000115.4
316T32.7Very low34.1Very low114 Ų114135.8 Ų135.870%0.69980%0.802SS**  trans-32.1166.8155.721.40000116.3
317D33.9Very low34.3Very low130 Ų130136.7 Ų136.770%0.69581%0.806SS**  cis-158.2132.335.4-133.911.9000110.5
318C32.8Very low34.4Very low95 Ų95135 Ų13564%0.64281%0.81SS**  76135.694.599.30000118
319N37.7Very low34.5Very low167 Ų167135.8 Ų135.889%0.89381%0.807SS**  trans-175.9111.3155.1-110.4-56.8000108.8
320K35.9Very low34.8Very low203 Ų203139.7 Ų139.788%0.88381%0.807SS**  trans-147.899.3176.5-148179.8-172.9-174.40112.2
321V38.9Very low34.6Very low142 Ų142135.2 Ų135.286%0.86180%0.796SS**  trans24.4115153.7-170.70000117.6
322A34.4Very low35Very low91 Ų91134.2 Ų134.275%0.75279%0.794SS**  trans-72.5146.3170.900000113.4
323G35.5Very low35.4Very low77 Ų77136.3 Ų136.379%0.79480%0.797SS**  trans-122.6133.1155.500000107.8
324C35.4Very low35.6Very low120 Ų120135.6 Ų135.681%0.81180%0.797SS**  trans-99.8115.5-167.9-53.80000111.6
325E32.5Very low35.9Very low195 Ų195135.3 Ų135.391%0.91180%0.795SS**  trans-106137.3156.9-68.9-179.8151.500107.7
326T43.1Very low36.2Very low135 Ų135136.5 Ų136.583%0.82879%0.794SS**  trans-118.5104.2-178.654.10000110.3
327D33.9Very low36.3Very low163 Ų163139 Ų13987%0.87280%0.801SS**  trans-75.8136.6168.8-79.1-43.3000111.5
328G37.5Very low36.2Very low80 Ų80137.7 Ų137.783%0.82580%0.798SS**  trans-117.497.3172.100000110.7
329I33.5Very low36.4Very low157 Ų157138.5 Ų138.581%0.80580%0.8SS**  trans-81.2123.4176.4-61.2168.1000109.6
330Y36.7Very low36.2Very low228 Ų228139.6 Ų139.689%0.89480%0.797SS**  trans-154.8160.3133.8-135.3-99000113.2
331S33.9Very low36.4Very low90 Ų90135.2 Ų135.263%0.62979%0.792SS**  trans-107.2164.2-154.8-178.30000114.7
332S40.3Very low36.3Very low91 Ų91133.8 Ų133.864%0.63679%0.786SS**  trans109.6118.9139.8-57.80000120.1
333N40.5Very low36.3Very low159 Ų159134.9 Ų134.985%0.8579%0.788SS**  trans9291.8136.7-59.1-8.4000121.5
334S33.6Very low36.6Very low104 Ų104137 Ų13773%0.72779%0.788SS**  trans-31.6137.8149.71470000117.6
335V40.6Very low36.3Very low142 Ų142137.7 Ų137.786%0.86179%0.789SS**  -143.3142.7125175.90000109.3
336K36.5Very low36.6Very low183 Ų183137.1 Ų137.180%0.79679%0.791SS**  trans-89.3157.1177.3-65.7172.8177.21760112
337I35Very low36Very low166 Ų166135 Ų13585%0.85178%0.781SS**  -164.4134.7123.5-95147.9000111.4
338T32.9Very low35.8Very low103 Ų103133.1 Ų133.163%0.63278%0.776SS**  trans-50.8161.9174.1-30.80000112.8F340T338-F340 HydrophobicContact CG2-CD2 4.46Å; T338-F340 HydrophobicContact CG2-CE2 4.47Å
339T35.9Very low36Very low113 Ų113135.1 Ų135.169%0.69378%0.777SS**  177.5123.665.8-46.90000112.6
340F33.7Very low36Very low190 Ų190137.1 Ų137.183%0.83378%0.78SS**  trans52.6157.5146.3-68.4-118.7000120.8T338T338-F340 HydrophobicContact CG2-CD2 4.46Å; T338-F340 HydrophobicContact CG2-CE2 4.47Å
341S39.1Very low36.1Very low110 Ų110134.3 Ų134.377%0.76978%0.779SS**  cis-152.6173.713.644.50000112.4
342P36.9Very low36Very low112 Ų112135.3 Ų135.373%0.72778%0.781SS**  trans-122174.8-165.842.5-31.2000117.8
343S36Very low35.9Very low114 Ų114138.7 Ų138.780%0.79779%0.787SS**  trans75.2161.8156.4-69.10000117.7
344P41.2Very low35.7Very low123 Ų123138.1 Ų138.180%0.79978%0.782SS**  cis-137.817922.643.1-24.2000118.7
345T29.3Very low35.6Very low134 Ų134137.9 Ų137.982%0.82278%0.78SS**  trans-78.6157.2170.642.70000113.1
346L38.6Very low35.2Very low182 Ų182136 Ų13695%0.95377%0.774SS**  trans-134.1152.1164.6-146.380000112.1
347S29.5Very low35.1Very low91 Ų91133.3 Ų133.364%0.63677%0.773SS**  trans-115.5151.9-161.8178.40000112.9
348T31.3Very low35.1Very low123 Ų123130.4 Ų130.476%0.75577%0.767SS**  trans47.6125.7149.149.80000121.1
349S40.5Very low34.9Very low123 Ų123131.1 Ų131.186%0.8678%0.776SS**  -165.3144.9112.3210000112.5
350K34.1Very low35Very low198 Ų198131.7 Ų131.786%0.86178%0.782SS**  trans-86.1140172.1-69.5172.9177.4173.10109.5
351I38.7Very low34.9Very low169 Ų169127.5 Ų127.587%0.86778%0.777SS**  trans-130.7102.5154.1-59.2-179.1000108.1
352T31.4Very low34.7Very low111 Ų111128.6 Ų128.668%0.68178%0.781SS**  trans-91.3137.3158.8-58.10000106.6
353H38Very low34.7Very low162 Ų162129.7 Ų129.775%0.7579%0.786SS**  trans-174.7123.1145.3-100.6-56.4000112
354I37.6Very low34.7Very low147 Ų147131.4 Ų131.475%0.75479%0.786SS**  trans33.6145.6143.452.8168.7000121.4
355S32Very low34.6Very low99 Ų99132.9 Ų132.969%0.69279%0.787SS**  cis-175.7156.2-15.9-99.40000108.4
356S30.3Very low35.4Very low103 Ų103131.7 Ų131.772%0.7278%0.78SS**  trans47.1124.4153600000119.7
357T34.6Very low35.7Very low127 Ų127132.3 Ų132.378%0.77978%0.775SS**  -177.6146.482.430.20000113.1
358S35.8Very low36.1Very low105 Ų105132.3 Ų132.373%0.73478%0.78SS**  trans32.1123.2151.259.40000122.8
359S29.7Very low36.4Very low117 Ų117131 Ų13182%0.81878%0.781SS**  trans-60.5155.8147.2-39.80000111.4
360P37.4Very low36.4Very low125 Ų125133.7 Ų133.781%0.81278%0.781SS**  -148.6179.491.938.4-20.5000116.1
361S31.3Very low36.6Very low103 Ų103130 Ų13072%0.7278%0.775SS**  trans-65.3157.1-175-47.10000115.9
362P34.9Very low36.2Very low132 Ų132129.4 Ų129.486%0.85777%0.772SS**  trans-74.1140.5172.531.5-34.7000112
363T37Very low36.4Very low135 Ų135129.4 Ų129.483%0.82877%0.774SS**  trans-124.6148.5165.143.40000110.2
364N36.2Very low36.1Very low150 Ų150127.9 Ų127.980%0.80278%0.776SS**  trans-73.2156.2-168.5-30.4-84000113
365D39.5Very low36.2Very low155 Ų155127.3 Ų127.383%0.82977%0.773SS**  trans-177.1153.3136.6-93.3-31.9000109
366T45.5Very low36.1Very low109 Ų109128.3 Ų128.367%0.66978%0.78SS**  cis-158.8154.3-21.2-118.10000110.3
367K44.4Very low36.7Very low195 Ų195131.7 Ų131.785%0.84879%0.785SS**  trans2.8132.7166-55.7169.9178.9175.40122
368A38.6Very low36.9Very low91 Ų91132 Ų13275%0.75279%0.787SS**  -179.8128.5109.200000108.1
369A38.2Very low36.7Very low94 Ų94133.8 Ų133.878%0.77779%0.787SS**  47.5125.48200000112.5
370E39.5Very low37.1Very low180 Ų180137.2 Ų137.284%0.84179%0.787SS**  cis-164.8172.324.5-152.4168.7-165.800112.2
371T37.8Very low37.1Very low121 Ų121140.1 Ų140.174%0.74278%0.783SS**  trans77.3120.9156.9-50.70000120.3
372I30.7Very low37.6Very low156 Ų156139.5 Ų139.580%0.878%0.779SS**  trans-89.7141.9172.3-62.4162.5000109.7
373P36.6Very low38.1Very low112 Ų112141.6 Ų141.673%0.72778%0.777SS**  trans-129.9135.3137.635-25.3000113.5I375P373-I375 PolarHBondContact O-N 3.34Å
374T30.1Very low38.4Very low129 Ų129142 Ų14279%0.79177%0.773SS**  trans-55.9121.5169.8-550000112.1
375I39.3Very low38.9Very low135 Ų135140.4 Ų140.469%0.69277%0.774SS**  trans-151.3133.9156.4-92.4128000109.5P373 Q377P373-I375 PolarHBondContact O-N 3.34Å; I375-Q377 HydrophobicContact CG2-CG 4.26Å; I375-Q377 PolarHBondContact O-N 3.21Å
376S31.7Very low39.2Very low120 Ų120138.4 Ų138.484%0.83977%0.772SS**  trans-69.5119.5-179.6-48.10000112
377Q43.1Very low39.1Very low175 Ų175143 Ų14382%0.81878%0.777SS**  trans-138.5147.4167-68.9-166.54.400112.6I375I375-Q377 HydrophobicContact CG2-CG 4.26Å; I375-Q377 PolarHBondContact O-N 3.21Å
378T36.9Very low39Very low134 Ų134138.5 Ų138.582%0.82278%0.776SS**  trans-71.4140.3-171.936.90000113.3K380T378-K380 PolarHBondContact O-N 3.42Å; T378-K380 VanDerWaalsContact O-N 3.15Å
379L32.4Very low39.5Very low142 Ų142141.3 Ų141.374%0.74377%0.769SS**  trans-69.4107.5178.8-68174.4000111.5Y381L379-Y381 HydrophobicContact CB-CD2 4.34Å; L379-Y381 HydrophobicContact CB-CE2 4.01Å; L379-Y381 PolarHBondContact O-N 3.21Å
380K37.2Very low40.3Very low188 Ų188142.6 Ų142.682%0.81777%0.769SS**  trans-79.2105.5165.2-72.4-174.8177-179.80110T378 S382T378-K380 PolarHBondContact O-N 3.42Å; T378-K380 VanDerWaalsContact O-N 3.15Å; K380-S382 PolarHBondContact O-N 3.01Å
381Y38.8Very low40.6Very low186 Ų186137.4 Ų137.473%0.72974%0.744SS**  trans-76.881.7175.1-74.9-94.4000111.7L379 L384L379-Y381 HydrophobicContact CB-CD2 4.34Å; L379-Y381 HydrophobicContact CB-CE2 4.01Å; L379-Y381 PolarHBondContact O-N 3.21Å; Y381-L384 HydrophobicContact CD1-CD1 4.23Å
382S40.5Very low40.9Very low90 Ų90134 Ų13463%0.62973%0.732SS**  trans-112.40.8-179.156.20000115.9K380K380-S382 PolarHBondContact O-N 3.01Å
383H46.6Very low41.8Very low176 Ų176136.3 Ų136.382%0.81574%0.737SS**SBendtrans-109.47.4-171.7-89.5-81.6000116.7
384L43.6Very low42.4Very low144 Ų144138.6 Ų138.675%0.75474%0.743SS**  trans-92.47.6-178.5-72.3167000114.8Y381 S386Y381-L384 HydrophobicContact CD1-CD1 4.23Å; L384-S386 VanDerWaalsContact C-N 3.31Å; L384-S386 PolarHBondContact O-N 3.37Å; L384-S386 VanDerWaalsContact O-N 3.16Å
385S46.6Very low43.1Very low117 Ų117135.9 Ų135.982%0.81873%0.728SS**THydrogen-bonded Turntrans-74.4-1.9-165.2-169.60000116.9
386S45.1Very low43.1Very low113 Ų113137.7 Ų137.779%0.7973%0.726SS**THydrogen-bonded Turntrans-12022.2-166.953.30000115.5L384 A388L384-S386 VanDerWaalsContact C-N 3.31Å; L384-S386 PolarHBondContact O-N 3.37Å; L384-S386 VanDerWaalsContact O-N 3.16Å; S386-A388 PolarHBondContact O-N 3.31Å
387R43.4Very low43.6Very low205 Ų205139 Ų13977%0.77472%0.717SS**  trans-82.5102.7175.4-159172.4-163.3164.84.3111.3Y389R387-Y389 WeakPolarHBondContact O-CD2 3.36Å; R387-Y389 PolarHBondContact O-N 3.36Å
388A43.2Very low43.7Very low100 Ų100133.3 Ų133.383%0.82669%0.694SS**  trans-65.2121.5173.600000110.9S386S386-A388 PolarHBondContact O-N 3.31Å
389Y47.6Very low44Very low151 Ų151135.7 Ų135.759%0.59269%0.694SS**  trans-89.6154.3173.7-84.7-95000110.9R387 F391R387-Y389 WeakPolarHBondContact O-CD2 3.36Å; R387-Y389 PolarHBondContact O-N 3.36Å; Y389-F391 PolarHBondContact O-N 3.38Å
390P55.3Low44.6Very low121 Ų121136.3 Ų136.379%0.78669%0.687SS**SBendtrans-80.56.5-171.934.1-38000114.4
391F46.8Very low45Very low71 Ų71133.2 Ų133.231%0.31168%0.68SS.*SBendtrans-86.8142.7168.1-53.1-84000107.5Y389 C395 K457 I459Y389-F391 PolarHBondContact O-N 3.38Å; F391-C395 HydrophobicContact CB-CB 3.49Å; F391-C395 VanDerWaalsContact CB-CB 3.49Å; F391-K457 HydrophobicContact CE1-CD 4.2Å; F391-I459 HydrophobicContact CZ-CD1 4.39Å
392G42.5Very low45.7Very low49 Ų49126.8 Ų126.851%0.50566%0.662SS.*  trans-54.8168.2-17000000114.1D394 C395G392-D394 PolarHBondContact O-N 3.13Å; G392-C395 PolarHBondContact O-N 3.01Å
393K50.3Low46.2Very low205 Ų205126.3 Ų126.389%0.89166%0.663SS**THydrogen-bonded Turntrans-53.9-20.2-173.7-68.2178.4179.4175.60114.4
394D48.9Very low46.5Very low159 Ų159121 Ų12185%0.8564%0.641SS**THydrogen-bonded Turntrans-82.5-24.3179.2-40.7-51.1000112.6G392 R396G392-D394 PolarHBondContact O-N 3.13Å; D394-R396 PolarHBondContact O-N 2.84Å
395C44.7Very low47Very low72 Ų72116.7 Ų116.749%0.48662%0.623SS.*  trans-84.452.9171.3-64.60000111.3F391 G392 F397F391-C395 HydrophobicContact CB-CB 3.49Å; F391-C395 VanDerWaalsContact CB-CB 3.49Å; G392-C395 PolarHBondContact O-N 3.01Å; C395-F397 VanDerWaalsContact C-N 3.3Å; C395-F397 PolarHBondContact O-N 3.17Å
396R40.1Very low47.6Very low173 Ų173116.2 Ų116.265%0.65361%0.611SS**  trans-70.489.2174.2-153.6-171.3175.4155.8-1.9108.4D394 V398D394-R396 PolarHBondContact O-N 2.84Å; R396-V398 HydrophobicContact CB-CG2 4.09Å; R396-V398 HydrophobicContact CG-CB 4.43Å; R396-V398 HydrophobicContact CG-CG1 4.08Å; R396-V398 HydrophobicContact CG-CG2 3.69Å; R396-V398 WeakPolarHBondContact O-CG2 3.32Å; R396-V398 PolarHBondContact O-N 3.44Å
397F42.6Very low48.2Very low148 Ų148117 Ų11765%0.64960%0.602SS**  trans-69.854.7163.8-102.9-80.2000110.4C395 F444C395-F397 VanDerWaalsContact C-N 3.3Å; C395-F397 PolarHBondContact O-N 3.17Å; F397-F444 HydrophobicContact CE1-CE1 4.48Å; F397-F444 HydrophobicContact CZ-CE1 4.32Å
398V44.2Very low49Very low55 Ų55109.9 Ų109.933%0.33358%0.578SS.*  trans-73.2120.5154.4-88.10000105.6R396 Y400R396-V398 HydrophobicContact CB-CG2 4.09Å; R396-V398 HydrophobicContact CG-CB 4.43Å; R396-V398 HydrophobicContact CG-CG1 4.08Å; R396-V398 HydrophobicContact CG-CG2 3.69Å; R396-V398 WeakPolarHBondContact O-CG2 3.32Å; R396-V398 PolarHBondContact O-N 3.44Å; V398-Y400 HydrophobicContact CB-CD2 4.03Å; V398-Y400 HydrophobicContact CB-CE2 4.18Å; V398-Y400 HydrophobicContact CB-CG 4.21Å; V398-Y400 HydrophobicContact CG2-CD2 3.29Å; V398-Y400 HydrophobicContact CG2-CE2 3.29Å; V398-Y400 HydrophobicContact CG2-CG 3.98Å; V398-Y400 PolarHBondContact O-N 2.99Å
399F43.6Very low50Low185 Ų185110 Ų11081%0.81156%0.564SS**  trans-61.774.5140.2-62.7-90.1000106.7N401F399-N401 VanDerWaalsContact C-N 3.3Å; F399-N401 PolarHBondContact O-N 3.42Å
400Y44.3Very low50.8Low154 Ų154105.5 Ų105.560%0.60456%0.559SS**  trans-59.2114.8138.8-72.3-53.2000102.8V398 S402V398-Y400 HydrophobicContact CB-CD2 4.03Å; V398-Y400 HydrophobicContact CB-CE2 4.18Å; V398-Y400 HydrophobicContact CB-CG 4.21Å; V398-Y400 HydrophobicContact CG2-CD2 3.29Å; V398-Y400 HydrophobicContact CG2-CE2 3.29Å; V398-Y400 HydrophobicContact CG2-CG 3.98Å; V398-Y400 PolarHBondContact O-N 2.99Å; Y400-S402 PolarHBondContact O-N 2.71Å
401N46.2Very low51.3Low124 Ų124103.5 Ų103.566%0.66354%0.536SS*.  trans-53.596.4144.9-63.7-2.2000103.1F399 A403F399-N401 VanDerWaalsContact C-N 3.3Å; F399-N401 PolarHBondContact O-N 3.42Å; N401-A403 PolarHBondContact O-N 3.45Å
402S52.6Low52.2Low51 Ų51106.1 Ų106.136%0.35755%0.553SS.*  trans-54.9141.2171.3-161.50000104.6Y400 D404 S405Y400-S402 PolarHBondContact O-N 2.71Å; S402-D404 PolarHBondContact O-N 3.26Å; S402-D404 PolarHBondContact OG-OD2 3.36Å; S402-S405 WeakPolarHBondContact O-CB 3.45Å; S402-S405 PolarHBondContact O-N 2.88Å
403A51.6Low53.3Low80 Ų80111 Ų11166%0.66157%0.567SS**THydrogen-bonded Turntrans-57.4-14.2179.800000112.4N401 S405N401-A403 PolarHBondContact O-N 3.45Å; A403-S405 VanDerWaalsContact C-N 3.33Å; A403-S405 PolarHBondContact O-N 2.95Å
404D53.3Low54.1Low64 Ų64105.5 Ų105.534%0.34255%0.554SS.*THydrogen-bonded Turntrans-64.3-22.3167.8-51.7-75.2000115.6S402 E407 E408 K436S402-D404 PolarHBondContact O-N 3.26Å; S402-D404 PolarHBondContact OG-OD2 3.36Å; D404-E407 PolarHBondContact O-N 3.4Å; D404-E408 PolarHBondContact O-N 3.02Å; D404-K436 IonicContact OD1-NZ 3.95Å; D404-K436 PolarHBondContact OD1-NZ 3.03Å
405S55.1Low55.2Low54 Ų54101.7 Ų101.738%0.37855%0.545SS..Hα-helixtrans-70.2-38.8-180-165.20000111.5S402 A403 E407 E408 D409S402-S405 WeakPolarHBondContact O-CB 3.45Å; S402-S405 PolarHBondContact O-N 2.88Å; A403-S405 VanDerWaalsContact C-N 3.33Å; A403-S405 PolarHBondContact O-N 2.95Å; S405-E407 PolarHBondContact O-N 3.06Å; S405-E408 PolarHBondContact O-N 2.88Å; S405-D409 PolarHBondContact O-N 2.98Å
406D57.6Low56.4Low107 Ų107104.1 Ų104.157%0.57256%0.56SS**Hα-helixtrans-68.2-21.8178.1-57.1-34.2000111.2A410D406-A410 VanDerWaalsContact O-CB 3.24Å; D406-A410 WeakPolarHBondContact O-CB 3.47Å; D406-A410 PolarHBondContact O-N 3.23Å; D406-A410 VanDerWaalsContact O-N 3.17Å
407E58.5Low57.8Low128 Ų12897.6 Ų97.660%0.59854%0.541SS*.Hα-helixtrans-79.9-35.5176.5-64.2-106.2140.300113D404 S405 A410 Y411D404-E407 PolarHBondContact O-N 3.4Å; S405-E407 PolarHBondContact O-N 3.06Å; E407-A410 PolarHBondContact O-N 2.92Å; E407-Y411 PolarHBondContact O-N 3.27Å; E407-Y411 VanDerWaalsContact O-N 3.07Å
408E60Low59.3Low56 Ų5699.4 Ų99.426%0.26255%0.551SS.*Hα-helixtrans-66.2-42.5174.6-72-155.2163.800110.9D404 S405 Y411 N412 M433 R437D404-E408 PolarHBondContact O-N 3.02Å; S405-E408 PolarHBondContact O-N 2.88Å; E408-Y411 PolarHBondContact O-N 2.99Å; E408-N412 PolarHBondContact O-N 3.31Å; E408-N412 PolarHBondContact O-ND2 3.4Å; E408-M433 HydrophobicContact CB-SD 4.44Å; E408-M433 HydrophobicContact CG-CG 3.84Å; E408-M433 HydrophobicContact CG-SD 3.91Å; E408-R437 IonicContact OE1-CZ 3.71Å; E408-R437 IonicContact OE1-NH1 3.94Å; E408-R437 PolarHBondContact OE1-NH1 2.96Å; E408-R437 IonicContact OE2-CZ 3.55Å; E408-R437 IonicContact OE2-NH1 2.66Å; E408-R437 PolarHBondContact OE2-NH1 3.18Å
409D63.4Low61.2Low102 Ų102100.9 Ų100.955%0.54556%0.56SS.*Hα-helixtrans-67.9-38.6176.8-74.2-27.7000111.7S405 Y411 N412 L413S405-D409 PolarHBondContact O-N 2.98Å; D409-Y411 VanDerWaalsContact C-N 3.33Å; D409-Y411 PolarHBondContact O-N 3.38Å; D409-N412 PolarHBondContact O-N 3.35Å; D409-L413 PolarHBondContact O-N 2.89Å
410A64.8Low63.3Low57 Ų5798.1 Ų98.147%0.47155%0.554SS.*Hα-helixtrans-63.5-33.7175.300000113.4D406 E407 L413 S414D406-A410 VanDerWaalsContact O-CB 3.24Å; D406-A410 WeakPolarHBondContact O-CB 3.47Å; D406-A410 PolarHBondContact O-N 3.23Å; D406-A410 VanDerWaalsContact O-N 3.17Å; E407-A410 PolarHBondContact O-N 2.92Å; A410-L413 PolarHBondContact O-N 3.2Å; A410-S414 PolarHBondContact O-N 3.48Å
411Y65.6Low65.4Low80 Ų8095.8 Ų95.831%0.31456%0.555SS.*Hα-helixtrans-64.3-42175.2-177-92.7000111.8E407 E408 D409 L413 S414 H430 M433E407-Y411 PolarHBondContact O-N 3.27Å; E407-Y411 VanDerWaalsContact O-N 3.07Å; E408-Y411 PolarHBondContact O-N 2.99Å; D409-Y411 VanDerWaalsContact C-N 3.33Å; D409-Y411 PolarHBondContact O-N 3.38Å; Y411-L413 VanDerWaalsContact C-N 3.27Å; Y411-L413 PolarHBondContact O-N 2.91Å; Y411-S414 WeakPolarHBondContact O-CB 3.5Å; Y411-S414 PolarHBondContact O-N 3Å; Y411-H430 AromaticContact CE1-CD2 3.53Å; Y411-H430 HydrophobicContact CE2-CB 3.93Å; Y411-H430 AromaticContact CZ-CD2 3.6Å; Y411-H430 AromaticContact CZ-CG 3.96Å; Y411-H430 WeakPolarHBondContact OH-CB 3.36Å; Y411-M433 HydrophobicContact CG-SD 4.46Å
412N65.8Low67.1Low126 Ų12692.4 Ų92.467%0.67454%0.541SS*.Hα-helixtrans-71-18.9-179.6-71.5-72.6000113.9E408 D409E408-N412 PolarHBondContact O-N 3.31Å; E408-N412 PolarHBondContact O-ND2 3.4Å; D409-N412 PolarHBondContact O-N 3.35Å
413L67.3Low68.7Low150 Ų15094.3 Ų94.379%0.78555%0.547SS*.THydrogen-bonded Turntrans-96.2-1.1177.7-70.6164.5000113.6D409 A410 Y411D409-L413 PolarHBondContact O-N 2.89Å; A410-L413 PolarHBondContact O-N 3.2Å; Y411-L413 VanDerWaalsContact C-N 3.27Å; Y411-L413 PolarHBondContact O-N 2.91Å
414S67Low70.4Confident90 Ų9095.6 Ų95.663%0.62954%0.542SS*.PPolyproline II helixtrans-76.2135.5-174.7-167.80000112.8A410 Y411A410-S414 PolarHBondContact O-N 3.48Å; Y411-S414 WeakPolarHBondContact O-CB 3.5Å; Y411-S414 PolarHBondContact O-N 3Å
415A71Confident72.1Confident79 Ų7999.7 Ų99.765%0.65356%0.557SS**PPolyproline II helixtrans-68.2145.1179.400000112S417A415-S417 PolarHBondContact O-N 3.01Å; A415-S417 VanDerWaalsContact O-N 3.14Å
416P69.6Low73.5Confident123 Ų12398.6 Ų98.680%0.79955%0.551SS**PPolyproline II helixtrans-57.3119.5-179.4-24.734000112.4Q418P416-Q418 PolarHBondContact O-N 3.46Å
417S70Confident74.9Confident37 Ų37103.3 Ų103.326%0.25956%0.561SS.*PPolyproline II helixtrans-77.3123.4-176660000112A415 L423A415-S417 PolarHBondContact O-N 3.01Å; A415-S417 VanDerWaalsContact O-N 3.14Å; S417-L423 WeakPolarHBondContact O-CD2 3.37Å; S417-L423 WeakPolarHBondContact O-CG 3.38Å; S417-L423 VanDerWaalsContact OG-CD2 3.32Å; S417-L423 WeakPolarHBondContact OG-CD2 3.48Å; S417-L423 WeakPolarHBondContact OG-CG 3.41Å; S417-L423 PolarHBondContact OG-N 3.47Å
418Q74.2Confident76.4Confident185 Ų185101.3 Ų101.386%0.86455%0.551SS**  trans-89.3-26.8-174.6-59.8179.811.900113.8P416P416-Q418 PolarHBondContact O-N 3.46Å
419T84.5Confident77.7Confident86 Ų86101.6 Ų101.653%0.52856%0.557SS.*SBendtrans-84137.8-179.2-42.10000111.2T421 S422 L423T419-T421 VanDerWaalsContact C-N 3.28Å; T419-T421 PolarHBondContact O-N 3.18Å; T419-S422 WeakPolarHBondContact O-CA 3.47Å; T419-S422 WeakPolarHBondContact O-CB 3.27Å; T419-S422 PolarHBondContact O-N 3.1Å; T419-L423 PolarHBondContact O-N 2.91Å
420L86.4Confident78.7Confident128 Ų128100 Ų10067%0.6755%0.546SS*.Hα-helixtrans-49.8-45.2177.1179.362.7000113S422 L423 I424L420-S422 VanDerWaalsContact C-N 3.29Å; L420-S422 PolarHBondContact O-N 3.2Å; L420-L423 PolarHBondContact O-N 3.04Å; L420-I424 HydrophobicContact CD1-CD1 4.3Å; L420-I424 HydrophobicContact CG-CD1 4.09Å; L420-I424 WeakPolarHBondContact O-CG1 3.36Å; L420-I424 PolarHBondContact O-N 2.88Å
421T88.2Confident80Confident104 Ų104103.3 Ų103.364%0.63855%0.55SS*.Hα-helixtrans-58.5-40.3176.9-44.10000112.4T419 I424 K425T419-T421 VanDerWaalsContact C-N 3.28Å; T419-T421 PolarHBondContact O-N 3.18Å; T421-I424 PolarHBondContact O-N 3.27Å; T421-K425 PolarHBondContact O-N 3.47Å
422S83.9Confident81.1Confident53 Ų53102.9 Ų102.937%0.37155%0.553SS.*Hα-helixtrans-73.8-34.9-179.5-55.30000111.8T419 L420 K425 A426T419-S422 WeakPolarHBondContact O-CA 3.47Å; T419-S422 WeakPolarHBondContact O-CB 3.27Å; T419-S422 PolarHBondContact O-N 3.1Å; L420-S422 VanDerWaalsContact C-N 3.29Å; L420-S422 PolarHBondContact O-N 3.2Å; S422-K425 PolarHBondContact O-N 3.16Å; S422-A426 WeakPolarHBondContact O-CB 3.31Å; S422-A426 PolarHBondContact O-N 3.17Å
423L84.4Confident82.2Confident91 Ų9198.5 Ų98.548%0.47653%0.529SS..Hα-helixtrans-63.9-42.3170.9-74.3164.8000111.9S417 T419 L420 K425 A426 R427S417-L423 WeakPolarHBondContact O-CD2 3.37Å; S417-L423 WeakPolarHBondContact O-CG 3.38Å; S417-L423 VanDerWaalsContact OG-CD2 3.32Å; S417-L423 WeakPolarHBondContact OG-CD2 3.48Å; S417-L423 WeakPolarHBondContact OG-CG 3.41Å; S417-L423 PolarHBondContact OG-N 3.47Å; T419-L423 PolarHBondContact O-N 2.91Å; L420-L423 PolarHBondContact O-N 3.04Å; L423-K425 VanDerWaalsContact C-N 3.34Å; L423-A426 PolarHBondContact O-N 2.9Å; L423-R427 WeakPolarHBondContact O-CB 3.42Å; L423-R427 PolarHBondContact O-N 2.92Å
424I88.9Confident83.2Confident107 Ų10798.5 Ų98.555%0.54952%0.518SS..Hα-helixtrans-61.5-45.1174.4-67.5164.8000110L420 T421 R427 Q428L420-I424 HydrophobicContact CD1-CD1 4.3Å; L420-I424 HydrophobicContact CG-CD1 4.09Å; L420-I424 WeakPolarHBondContact O-CG1 3.36Å; L420-I424 PolarHBondContact O-N 2.88Å; T421-I424 PolarHBondContact O-N 3.27Å; I424-R427 PolarHBondContact O-N 3.36Å; I424-Q428 WeakPolarHBondContact O-CB 3.42Å; I424-Q428 PolarHBondContact O-N 3.16Å
425K87.3Confident84.4Confident151 Ų15197.3 Ų97.366%0.65751%0.508SS*.Hα-helixtrans-63.1-45.3176.9-168.2177.2-178.8-177.10112.1T421 S422 L423 R427 Q428 T429T421-K425 PolarHBondContact O-N 3.47Å; S422-K425 PolarHBondContact O-N 3.16Å; L423-K425 VanDerWaalsContact C-N 3.34Å; K425-R427 VanDerWaalsContact C-N 3.33Å; K425-R427 PolarHBondContact O-N 3.19Å; K425-Q428 PolarHBondContact O-N 3.1Å; K425-Q428 VanDerWaalsContact O-N 3.17Å; K425-T429 HydrophobicContact CG-CG2 4.44Å; K425-T429 WeakPolarHBondContact O-CG2 3.49Å; K425-T429 PolarHBondContact O-N 3.4Å; K425-T429 PolarHBondContact O-OG1 2.86Å; K425-T429 VanDerWaalsContact O-OG1 3.13Å
426A84.6Confident85.3Confident31 Ų3198 Ų9826%0.25650%0.496SS..Hα-helixtrans-61.1-40.6176.900000112.2S422 L423 T429 H430S422-A426 WeakPolarHBondContact O-CB 3.31Å; S422-A426 PolarHBondContact O-N 3.17Å; L423-A426 PolarHBondContact O-N 2.9Å; A426-T429 WeakPolarHBondContact CA-OG1 3.48Å; A426-T429 PolarHBondContact O-OG1 2.79Å; A426-H430 VanDerWaalsContact O-CB 3.25Å; A426-H430 WeakPolarHBondContact O-CB 3.32Å; A426-H430 PolarHBondContact O-N 3.49Å
427R87.4Confident86.3Confident206 Ų20697.6 Ų97.678%0.77748%0.478SS*.Hα-helixtrans-65.5-37.5174.7-173.1175.5-177.3168.51.6112.3L423 I424 K425 K431L423-R427 WeakPolarHBondContact O-CB 3.42Å; L423-R427 PolarHBondContact O-N 2.92Å; I424-R427 PolarHBondContact O-N 3.36Å; K425-R427 VanDerWaalsContact C-N 3.33Å; K425-R427 PolarHBondContact O-N 3.19Å; R427-K431 WeakPolarHBondContact O-CB 3.25Å; R427-K431 PolarHBondContact O-N 2.86Å
428Q89.5Confident87.4Confident86 Ų8697.9 Ų97.940%0.40248%0.483SS..Hα-helixtrans-72.2-47.6177.3-174.557.140.800111.6I424 K425 H430 K431 D432I424-Q428 WeakPolarHBondContact O-CB 3.42Å; I424-Q428 PolarHBondContact O-N 3.16Å; K425-Q428 PolarHBondContact O-N 3.1Å; K425-Q428 VanDerWaalsContact O-N 3.17Å; Q428-H430 VanDerWaalsContact C-N 3.27Å; Q428-H430 PolarHBondContact O-N 2.8Å; Q428-K431 CarbonylContact O-C 3.58Å; Q428-K431 WeakPolarHBondContact O-CA 3.48Å; Q428-K431 WeakPolarHBondContact O-CB 3.47Å; Q428-K431 PolarHBondContact O-N 3.33Å; Q428-D432 VanDerWaalsContact NE2-CG 3.29Å; Q428-D432 PolarHBondContact NE2-OD1 3.29Å; Q428-D432 PolarHBondContact NE2-OD2 3.26Å; Q428-D432 PolarHBondContact O-N 2.82Å
429T87.2Confident88.3Confident61 Ų6193 Ų9337%0.37446%0.463SS..Hα-helixtrans-59.9-38.217651.90000112K425 A426 D432 M433K425-T429 HydrophobicContact CG-CG2 4.44Å; K425-T429 WeakPolarHBondContact O-CG2 3.49Å; K425-T429 PolarHBondContact O-N 3.4Å; K425-T429 PolarHBondContact O-OG1 2.86Å; K425-T429 VanDerWaalsContact O-OG1 3.13Å; A426-T429 WeakPolarHBondContact CA-OG1 3.48Å; A426-T429 PolarHBondContact O-OG1 2.79Å; T429-D432 PolarHBondContact O-N 3.21Å; T429-M433 VanDerWaalsContact O-CB 3.31Å; T429-M433 WeakPolarHBondContact O-CB 3.39Å; T429-M433 PolarHBondContact O-N 3.44Å
430H85.7Confident88.4Confident69 Ų6992.9 Ų92.932%0.31946%0.456SS..Hα-helixtrans-60.7-50171.3-173.7-114.1000111.1Y411 A426 Q428 D432 M433 W434Y411-H430 AromaticContact CE1-CD2 3.53Å; Y411-H430 HydrophobicContact CE2-CB 3.93Å; Y411-H430 AromaticContact CZ-CD2 3.6Å; Y411-H430 AromaticContact CZ-CG 3.96Å; Y411-H430 WeakPolarHBondContact OH-CB 3.36Å; A426-H430 VanDerWaalsContact O-CB 3.25Å; A426-H430 WeakPolarHBondContact O-CB 3.32Å; A426-H430 PolarHBondContact O-N 3.49Å; Q428-H430 VanDerWaalsContact C-N 3.27Å; Q428-H430 PolarHBondContact O-N 2.8Å; H430-D432 VanDerWaalsContact C-N 3.3Å; H430-D432 PolarHBondContact O-N 2.79Å; H430-M433 WeakPolarHBondContact O-CB 3.37Å; H430-M433 PolarHBondContact O-N 2.81Å; H430-W434 AromaticContact CD2-CD1 3.82Å; H430-W434 AromaticContact CD2-NE1 3.64Å; H430-W434 AromaticContact CE1-CD1 3.51Å; H430-W434 AromaticContact CE1-NE1 3.1Å; H430-W434 PolarHBondContact CE1-NE1 3.28Å; H430-W434 AromaticContact CG-CD1 3.93Å; H430-W434 AromaticContact ND1-CD1 3.73Å; H430-W434 AromaticContact ND1-NE1 3.8Å; H430-W434 AromaticContact NE2-CD1 3.56Å; H430-W434 AromaticContact NE2-NE1 2.95Å; H430-W434 PolarHBondContact NE2-NE1 3.4Å; H430-W434 PolarHBondContact O-N 2.89Å
431K90.7Very high88.7Confident126 Ų12690.8 Ų90.855%0.54845%0.445SS..Hα-helixtrans-56.2-45176.2-175.1-173.9175.1-170.60111.7R427 Q428 W434 T435R427-K431 WeakPolarHBondContact O-CB 3.25Å; R427-K431 PolarHBondContact O-N 2.86Å; Q428-K431 CarbonylContact O-C 3.58Å; Q428-K431 WeakPolarHBondContact O-CA 3.48Å; Q428-K431 WeakPolarHBondContact O-CB 3.47Å; Q428-K431 PolarHBondContact O-N 3.33Å; K431-W434 PolarHBondContact O-N 3.19Å; K431-T435 PolarHBondContact O-N 2.74Å; K431-T435 PolarHBondContact O-OG1 3.22Å
432D89.9Confident89Confident71 Ų7190.1 Ų90.138%0.3844%0.437SS..Hα-helixtrans-66.3-39.5-179.8-62.4-29.9000111.8Q428 T429 H430 T435 K436Q428-D432 VanDerWaalsContact NE2-CG 3.29Å; Q428-D432 PolarHBondContact NE2-OD1 3.29Å; Q428-D432 PolarHBondContact NE2-OD2 3.26Å; Q428-D432 PolarHBondContact O-N 2.82Å; T429-D432 PolarHBondContact O-N 3.21Å; H430-D432 VanDerWaalsContact C-N 3.3Å; H430-D432 PolarHBondContact O-N 2.79Å; D432-T435 PolarHBondContact O-N 3.38Å; D432-K436 WeakPolarHBondContact O-CG 3.41Å; D432-K436 PolarHBondContact O-N 3.47Å
433M87.8Confident89.4Confident35 Ų3595 Ų9517%0.17245%0.448CS..Hα-helixtrans-59.1-48.5171.2179.3-163.877.500111.3E408 Y411 T429 H430 T435 K436 R437E408-M433 HydrophobicContact CB-SD 4.44Å; E408-M433 HydrophobicContact CG-CG 3.84Å; E408-M433 HydrophobicContact CG-SD 3.91Å; Y411-M433 HydrophobicContact CG-SD 4.46Å; T429-M433 VanDerWaalsContact O-CB 3.31Å; T429-M433 WeakPolarHBondContact O-CB 3.39Å; T429-M433 PolarHBondContact O-N 3.44Å; H430-M433 WeakPolarHBondContact O-CB 3.37Å; H430-M433 PolarHBondContact O-N 2.81Å; M433-T435 VanDerWaalsContact C-N 3.29Å; M433-T435 PolarHBondContact O-N 2.83Å; M433-K436 PolarHBondContact O-N 3.1Å; M433-R437 WeakPolarHBondContact O-CB 3.34Å; M433-R437 PolarHBondContact O-N 2.92Å
434W89.8Confident89.7Confident149 Ų14996.1 Ų96.156%0.56445%0.449SS*.Hα-helixtrans-61-37.1175.2-82.691.5000112.4H430 K431 A438H430-W434 AromaticContact CD2-CD1 3.82Å; H430-W434 AromaticContact CD2-NE1 3.64Å; H430-W434 AromaticContact CE1-CD1 3.51Å; H430-W434 AromaticContact CE1-NE1 3.1Å; H430-W434 PolarHBondContact CE1-NE1 3.28Å; H430-W434 AromaticContact CG-CD1 3.93Å; H430-W434 AromaticContact ND1-CD1 3.73Å; H430-W434 AromaticContact ND1-NE1 3.8Å; H430-W434 AromaticContact NE2-CD1 3.56Å; H430-W434 AromaticContact NE2-NE1 2.95Å; H430-W434 PolarHBondContact NE2-NE1 3.4Å; H430-W434 PolarHBondContact O-N 2.89Å; K431-W434 PolarHBondContact O-N 3.19Å; W434-A438 WeakPolarHBondContact O-CB 3.21Å; W434-A438 PolarHBondContact O-N 3.31Å
435T91.6Very high89.9Confident66 Ų6695.8 Ų95.841%0.40545%0.448SS..Hα-helixtrans-67.2-49.3174.4-56.30000111.7K431 D432 M433 R437 A438 D439K431-T435 PolarHBondContact O-N 2.74Å; K431-T435 PolarHBondContact O-OG1 3.22Å; D432-T435 PolarHBondContact O-N 3.38Å; M433-T435 VanDerWaalsContact C-N 3.29Å; M433-T435 PolarHBondContact O-N 2.83Å; T435-R437 VanDerWaalsContact C-N 3.26Å; T435-R437 PolarHBondContact O-N 3.22Å; T435-A438 WeakPolarHBondContact O-CB 3.36Å; T435-A438 PolarHBondContact O-N 3.14Å; T435-A438 VanDerWaalsContact O-N 3.1Å; T435-D439 PolarHBondContact O-N 3.03Å
436K90.4Very high90.2Very high94 Ų9492.9 Ų92.941%0.40945%0.452SS..Hα-helixtrans-53.4-43.9173.2-76.5-177.6172.3-162.80111.9D404 D432 M433 D439 H440D404-K436 IonicContact OD1-NZ 3.95Å; D404-K436 PolarHBondContact OD1-NZ 3.03Å; D432-K436 WeakPolarHBondContact O-CG 3.41Å; D432-K436 PolarHBondContact O-N 3.47Å; M433-K436 PolarHBondContact O-N 3.1Å; K436-D439 PolarHBondContact O-N 2.98Å; K436-H440 VanDerWaalsContact O-CB 3.28Å; K436-H440 WeakPolarHBondContact O-CB 3.28Å; K436-H440 PolarHBondContact O-N 2.88Å
437R89.3Confident90.5Very high113 Ų11396.6 Ų96.643%0.42648%0.475SS..Hα-helixtrans-64.2-42.5178.4-170.4-177.6-172.788.8-1.5111.8E408 M433 T435 H440 I441E408-R437 IonicContact OE1-CZ 3.71Å; E408-R437 IonicContact OE1-NH1 3.94Å; E408-R437 PolarHBondContact OE1-NH1 2.96Å; E408-R437 IonicContact OE2-CZ 3.55Å; E408-R437 IonicContact OE2-NH1 2.66Å; E408-R437 PolarHBondContact OE2-NH1 3.18Å; M433-R437 WeakPolarHBondContact O-CB 3.34Å; M433-R437 PolarHBondContact O-N 2.92Å; T435-R437 VanDerWaalsContact C-N 3.26Å; T435-R437 PolarHBondContact O-N 3.22Å; R437-H440 PolarHBondContact O-N 2.85Å; R437-I441 HydrophobicContact CG-CD1 4.31Å; R437-I441 WeakPolarHBondContact O-CG1 3.43Å; R437-I441 PolarHBondContact O-N 3.27Å
438A94Very high90.8Very high43 Ų4395.5 Ų95.536%0.35547%0.471SS..Hα-helixtrans-62.6-47.1173.800000111.6W434 T435 H440 I441 N442W434-A438 WeakPolarHBondContact O-CB 3.21Å; W434-A438 PolarHBondContact O-N 3.31Å; T435-A438 WeakPolarHBondContact O-CB 3.36Å; T435-A438 PolarHBondContact O-N 3.14Å; T435-A438 VanDerWaalsContact O-N 3.1Å; A438-H440 VanDerWaalsContact C-N 3.32Å; A438-H440 PolarHBondContact O-N 2.83Å; A438-I441 PolarHBondContact O-N 3.09Å; A438-N442 WeakPolarHBondContact O-CB 3.45Å; A438-N442 PolarHBondContact O-N 3.43Å; A438-N442 PolarHBondContact O-ND2 3.27Å
439D91.9Very high91.1Very high84 Ų8493.8 Ų93.845%0.44947%0.467SS..Hα-helixtrans-64.9-34178.3-67.3-24.2000112.7T435 K436 R443T435-D439 PolarHBondContact O-N 3.03Å; K436-D439 PolarHBondContact O-N 2.98Å; D439-R443 WeakPolarHBondContact O-CG 3.46Å; D439-R443 PolarHBondContact O-N 3.35Å; D439-R443 PolarHBondContact O-NE 2.96Å
440H88Confident91.3Very high83 Ų8393.9 Ų93.938%0.38447%0.469SS..Hα-helixtrans-64-49.2171.6-175.4-116.6000111.6K436 R437 A438 N442 R443 F444K436-H440 VanDerWaalsContact O-CB 3.28Å; K436-H440 WeakPolarHBondContact O-CB 3.28Å; K436-H440 PolarHBondContact O-N 2.88Å; R437-H440 PolarHBondContact O-N 2.85Å; A438-H440 VanDerWaalsContact C-N 3.32Å; A438-H440 PolarHBondContact O-N 2.83Å; H440-N442 PolarHBondContact O-N 3.2Å; H440-R443 PolarHBondContact O-N 3.19Å; H440-F444 AromaticContact CD2-CE2 3.99Å; H440-F444 AromaticContact CE1-CE2 3.67Å; H440-F444 AromaticContact NE2-CE2 3.54Å; H440-F444 VanDerWaalsContact O-CD2 3.3Å; H440-F444 WeakPolarHBondContact O-CD2 3.36Å; H440-F444 PolarHBondContact O-N 2.98Å
441I93.1Very high91.7Very high83 Ų8397.2 Ų97.243%0.42648%0.479SS..Hα-helixtrans-62.5-43.6176.7-69.1167.1000111R437 A438 R443 F444 L445R437-I441 HydrophobicContact CG-CD1 4.31Å; R437-I441 WeakPolarHBondContact O-CG1 3.43Å; R437-I441 PolarHBondContact O-N 3.27Å; A438-I441 PolarHBondContact O-N 3.09Å; I441-R443 VanDerWaalsContact C-N 3.29Å; I441-R443 PolarHBondContact O-N 2.84Å; I441-F444 PolarHBondContact O-N 3.3Å; I441-F444 VanDerWaalsContact O-N 3.07Å; I441-L445 HydrophobicContact CG2-CD1 3.81Å; I441-L445 HydrophobicContact CG2-CG 4.13Å; I441-L445 WeakPolarHBondContact O-CG 3.33Å; I441-L445 PolarHBondContact O-N 3.38Å
442N94.6Very high91.9Very high90 Ų9096 Ų9648%0.48148%0.475SS..Hα-helixtrans-58.5-37.8179-74.4-26.4000112.4A438 H440 L445 A446A438-N442 WeakPolarHBondContact O-CB 3.45Å; A438-N442 PolarHBondContact O-N 3.43Å; A438-N442 PolarHBondContact O-ND2 3.27Å; H440-N442 PolarHBondContact O-N 3.2Å; N442-L445 PolarHBondContact O-N 3.3Å; N442-A446 WeakPolarHBondContact O-CB 3.46Å; N442-A446 PolarHBondContact O-N 3.29Å
443R90.5Very high92.2Very high157 Ų15796 Ų9659%0.59248%0.475SS*.Hα-helixtrans-61.4-43.4173.3-76.1-180-74.5168.9-3.9112.7D439 H440 I441 C447D439-R443 WeakPolarHBondContact O-CG 3.46Å; D439-R443 PolarHBondContact O-N 3.35Å; D439-R443 PolarHBondContact O-NE 2.96Å; H440-R443 PolarHBondContact O-N 3.19Å; I441-R443 VanDerWaalsContact C-N 3.29Å; I441-R443 PolarHBondContact O-N 2.84Å; R443-C447 PolarHBondContact O-N 3.36Å
444F91.7Very high92.6Very high114 Ų11495.8 Ų95.850%0.548%0.475SS..Hα-helixtrans-69.3-34.7176.2-74.8-74.2000113.2F397 H440 I441 C447 R448F397-F444 HydrophobicContact CE1-CE1 4.48Å; F397-F444 HydrophobicContact CZ-CE1 4.32Å; H440-F444 AromaticContact CD2-CE2 3.99Å; H440-F444 AromaticContact CE1-CE2 3.67Å; H440-F444 AromaticContact NE2-CE2 3.54Å; H440-F444 VanDerWaalsContact O-CD2 3.3Å; H440-F444 WeakPolarHBondContact O-CD2 3.36Å; H440-F444 PolarHBondContact O-N 2.98Å; I441-F444 PolarHBondContact O-N 3.3Å; I441-F444 VanDerWaalsContact O-N 3.07Å; F444-C447 PolarHBondContact O-N 3.14Å; F444-R448 PolarHBondContact O-N 3.46Å
445L93.5Very high92.8Very high100 Ų10090.3 Ų90.352%0.52446%0.456SS..Hα-helixtrans-68.9-38.6176.1-67.3178000111.9I441 N442 C447 R448I441-L445 HydrophobicContact CG2-CD1 3.81Å; I441-L445 HydrophobicContact CG2-CG 4.13Å; I441-L445 WeakPolarHBondContact O-CG 3.33Å; I441-L445 PolarHBondContact O-N 3.38Å; N442-L445 PolarHBondContact O-N 3.3Å; L445-C447 VanDerWaalsContact C-N 3.32Å; L445-C447 PolarHBondContact O-N 3.34Å; L445-R448 VanDerWaalsContact O-CB 3.26Å; L445-R448 WeakPolarHBondContact O-CB 3.34Å; L445-R448 PolarHBondContact O-N 2.86Å
446A92.5Very high93Very high90 Ų9091.6 Ų91.674%0.74447%0.467SS*.Hα-helixtrans-64.2-33.7175.300000113.1N442N442-A446 WeakPolarHBondContact O-CB 3.46Å; N442-A446 PolarHBondContact O-N 3.29Å
447C91.6Very high93.2Very high109 Ų10991.9 Ų91.974%0.73647%0.469SS*.THydrogen-bonded Turntrans-95.415.1176.7-62.40000114R443 F444 L445 P449R443-C447 PolarHBondContact O-N 3.36Å; F444-C447 PolarHBondContact O-N 3.14Å; L445-C447 VanDerWaalsContact C-N 3.32Å; L445-C447 PolarHBondContact O-N 3.34Å; C447-P449 WeakPolarHBondContact O-CD 3.45Å
448R93.9Very high93.4Very high183 Ų18392.8 Ų92.869%0.69148%0.482SS*.PPolyproline II helixtrans-70122.8-179.4-174.8-179.6-179.8-179.31.6110.6F444 L445F444-R448 PolarHBondContact O-N 3.46Å; L445-R448 VanDerWaalsContact O-CB 3.26Å; L445-R448 WeakPolarHBondContact O-CB 3.34Å; L445-R448 PolarHBondContact O-N 2.86Å
449P94.5Very high93.5Very high50 Ų5095.4 Ų95.433%0.32549%0.489SS..PPolyproline II helixtrans-60147.5173.4-21.933.3000111.6C447 D453 L454C447-P449 WeakPolarHBondContact O-CD 3.45Å; P449-D453 HydrophobicContact CB-CB 4.14Å; P449-L454 HydrophobicContact CB-CD2 4.07Å; P449-L454 HydrophobicContact CB-CG 4.25Å; P449-L454 HydrophobicContact CG-CD2 4.34Å
450C93.4Very high93.5Very high62 Ų6294.2 Ų94.242%0.41948%0.482SS..PPolyproline II helixtrans-65.3163174.670.40000111E452 D453 L454C450-E452 PolarHBondContact O-N 2.71Å; C450-D453 WeakPolarHBondContact O-CB 3.45Å; C450-D453 PolarHBondContact O-N 2.79Å; C450-D453 PolarHBondContact SG-N 3.36Å; C450-L454 WeakPolarHBondContact O-CG 3.4Å; C450-L454 PolarHBondContact O-N 3.44Å
451R94.1Very high93.7Very high139 Ų13993.8 Ų93.853%0.52549%0.487SS..Hα-helixtrans-63.3-33.5-178.6177.8176.7171.6-81.60.2111.3L454 I455R451-L454 PolarHBondContact O-N 3.3Å; R451-I455 HydrophobicContact CG-CD1 4.1Å; R451-I455 WeakPolarHBondContact O-CG1 3.45Å; R451-I455 PolarHBondContact O-N 3.34Å
452E94.7Very high93.6Very high102 Ų10293.8 Ų93.848%0.47749%0.494SS..Hα-helixtrans-72.6-34.4-176.9-68.254.8-118.500111.1C450 I455 S456C450-E452 PolarHBondContact O-N 2.71Å; E452-I455 PolarHBondContact O-N 3.18Å; E452-S456 WeakPolarHBondContact O-CB 3.17Å; E452-S456 PolarHBondContact O-N 3.5Å; E452-S456 PolarHBondContact O-OG 2.83Å
453D94.8Very high93.5Very high71 Ų7192.7 Ų92.738%0.3849%0.491SS..Hα-helixtrans-62.7-43.3168.7-84.9-13.4000111.7P449 C450 I455 S456 K457P449-D453 HydrophobicContact CB-CB 4.14Å; C450-D453 WeakPolarHBondContact O-CB 3.45Å; C450-D453 PolarHBondContact O-N 2.79Å; C450-D453 PolarHBondContact SG-N 3.36Å; D453-I455 VanDerWaalsContact C-N 3.33Å; D453-S456 PolarHBondContact O-N 3.07Å; D453-K457 WeakPolarHBondContact O-CB 3.31Å; D453-K457 WeakPolarHBondContact O-CD 3.23Å; D453-K457 VanDerWaalsContact O-CG 3.29Å; D453-K457 WeakPolarHBondContact O-CG 3.46Å; D453-K457 PolarHBondContact O-N 2.95Å
454L96.5Very high93.6Very high30 Ų3089.6 Ų89.616%0.15749%0.489CS..Hα-helixtrans-69-33.9179.9-63176.3000111.5P449 C450 R451 N458 I459 I460P449-L454 HydrophobicContact CB-CD2 4.07Å; P449-L454 HydrophobicContact CB-CG 4.25Å; P449-L454 HydrophobicContact CG-CD2 4.34Å; C450-L454 WeakPolarHBondContact O-CG 3.4Å; C450-L454 PolarHBondContact O-N 3.44Å; R451-L454 PolarHBondContact O-N 3.3Å; L454-N458 PolarHBondContact O-N 3.24Å; L454-I459 HydrophobicContact CB-CB 4.41Å; L454-I459 HydrophobicContact CD2-CB 4.48Å; L454-I459 HydrophobicContact CD2-CD1 3.82Å; L454-I459 WeakPolarHBondContact O-CB 3.43Å; L454-I459 PolarHBondContact O-N 3.37Å; L454-I460 HydrophobicContact CB-CB 4.46Å; L454-I460 HydrophobicContact CB-CD1 3.77Å; L454-I460 HydrophobicContact CB-CG1 3.97Å; L454-I460 HydrophobicContact CD1-CD1 3.75Å; L454-I460 HydrophobicContact CG-CD1 4.43Å; L454-I460 PolarHBondContact O-N 2.95Å
455I95.3Very high93.8Very high34 Ų3491 Ų9117%0.17450%0.501CS..Hα-helixtrans-66.5-48.1170.5-73167.8000110.9R451 E452 D453 K457 N458 I460R451-I455 HydrophobicContact CG-CD1 4.1Å; R451-I455 WeakPolarHBondContact O-CG1 3.45Å; R451-I455 PolarHBondContact O-N 3.34Å; E452-I455 PolarHBondContact O-N 3.18Å; D453-I455 VanDerWaalsContact C-N 3.33Å; I455-K457 PolarHBondContact O-N 3.4Å; I455-N458 WeakPolarHBondContact O-CA 3.32Å; I455-N458 PolarHBondContact O-N 3.49Å; I455-I460 WeakPolarHBondContact CA-O 3.43Å; I455-I460 HydrophobicContact CG1-CB 4.07Å; I455-I460 HydrophobicContact CG1-CG2 4.11Å
456S94.6Very high93.9Very high92 Ų9293.1 Ų93.164%0.64351%0.508SS*.Hα-helixtrans-60.6-34.4179.6-590000112.3E452 D453 N458E452-S456 WeakPolarHBondContact O-CB 3.17Å; E452-S456 PolarHBondContact O-N 3.5Å; E452-S456 PolarHBondContact O-OG 2.83Å; D453-S456 PolarHBondContact O-N 3.07Å; S456-N458 PolarHBondContact O-N 3.41Å; S456-N458 PolarHBondContact O-ND2 2.87Å
457K95.6Very high94Very high101 Ų10190.6 Ų90.644%0.43949%0.488SS..THydrogen-bonded Turntrans-81.14.1173.8-68.6165.5-174162.50113.8F391 D453 I455 I459F391-K457 HydrophobicContact CE1-CD 4.2Å; D453-K457 WeakPolarHBondContact O-CB 3.31Å; D453-K457 WeakPolarHBondContact O-CD 3.23Å; D453-K457 VanDerWaalsContact O-CG 3.29Å; D453-K457 WeakPolarHBondContact O-CG 3.46Å; D453-K457 PolarHBondContact O-N 2.95Å; I455-K457 PolarHBondContact O-N 3.4Å; K457-I459 HydrophobicContact CB-CD1 3.94Å; K457-I459 HydrophobicContact CB-CG1 4.04Å; K457-I459 PolarHBondContact O-N 3.28Å
458N93Very high94.2Very high131 Ų13191 Ų9170%0.70147%0.474SS*.THydrogen-bonded Turntrans55.626.9-176.4-69.7-91.6000114.4L454 I455 S456L454-N458 PolarHBondContact O-N 3.24Å; I455-N458 WeakPolarHBondContact O-CA 3.32Å; I455-N458 PolarHBondContact O-N 3.49Å; S456-N458 PolarHBondContact O-N 3.41Å; S456-N458 PolarHBondContact O-ND2 2.87Å
459I95.1Very high94.3Very high98 Ų9884.8 Ų84.850%0.50346%0.461SS..SBendtrans-80.9-39.4174.4-60.3170.9000109.9F391 L454 K457F391-I459 HydrophobicContact CZ-CD1 4.39Å; L454-I459 HydrophobicContact CB-CB 4.41Å; L454-I459 HydrophobicContact CD2-CB 4.48Å; L454-I459 HydrophobicContact CD2-CD1 3.82Å; L454-I459 WeakPolarHBondContact O-CB 3.43Å; L454-I459 PolarHBondContact O-N 3.37Å; K457-I459 HydrophobicContact CB-CD1 3.94Å; K457-I459 HydrophobicContact CB-CG1 4.04Å; K457-I459 PolarHBondContact O-N 3.28Å
460I92.9Very high94.4Very high60 Ų6087.9 Ų87.931%0.30847%0.471SS..SBendtrans-111.3125.3173.2-62.4177.5000108.1L454 I455 S462L454-I460 HydrophobicContact CB-CB 4.46Å; L454-I460 HydrophobicContact CB-CD1 3.77Å; L454-I460 HydrophobicContact CB-CG1 3.97Å; L454-I460 HydrophobicContact CD1-CD1 3.75Å; L454-I460 HydrophobicContact CG-CD1 4.43Å; L454-I460 PolarHBondContact O-N 2.95Å; I455-I460 WeakPolarHBondContact CA-O 3.43Å; I455-I460 HydrophobicContact CG1-CB 4.07Å; I455-I460 HydrophobicContact CG1-CG2 4.11Å; I460-S462 PolarHBondContact O-N 3.37Å
461P92.4Very high94.6Very high74 Ų7489.7 Ų89.748%0.48148%0.477SS..  trans-61.8131.7172.3-22.734000111.6
462S91.1Very high94.8Very high82 Ų8290.6 Ų90.657%0.57348%0.48SS*.SBendtrans-73.9-28.3170.645.80000113.2I460I460-S462 PolarHBondContact O-N 3.37Å
463T91.7Very high94.9Very high68 Ų6890.8 Ų90.842%0.41748%0.483SS..SBendtrans-117.6158.3-173.5540000111.9R468T463-R468 WeakPolarHBondContact OG1-CG 3.3Å
464T93.9Very high95.1Very high92 Ų9292.7 Ų92.756%0.56449%0.493SS*.  trans-63.1158174.262.10000111.4E466 A467 R468T464-E466 VanDerWaalsContact C-N 3.27Å; T464-E466 PolarHBondContact O-N 3.48Å; T464-A467 PolarHBondContact O-N 3.45Å; T464-A467 WeakPolarHBondContact OG1-CB 3.47Å; T464-A467 PolarHBondContact OG1-N 3.21Å; T464-R468 WeakPolarHBondContact O-CG 3.1Å; T464-R468 PolarHBondContact O-N 2.92Å; T464-R468 VanDerWaalsContact O-N 3.16Å
465L94.4Very high95.2Very high142 Ų14295.3 Ų95.374%0.74351%0.507SS*.Hα-helixtrans-62.6-36.4177.2-66.6176.5000112.1R468 A469L465-R468 PolarHBondContact O-N 3.26Å; L465-A469 PolarHBondContact O-N 3.35Å
466E95.5Very high95.3Very high145 Ų14598.7 Ų98.768%0.67852%0.522SS*.Hα-helixtrans-62.4-52.8176.4-174.1169.7-149.500111.7T464 R468 A469 E470T464-E466 VanDerWaalsContact C-N 3.27Å; T464-E466 PolarHBondContact O-N 3.48Å; E466-R468 PolarHBondContact O-N 2.79Å; E466-R468 VanDerWaalsContact O-N 3.17Å; E466-A469 WeakPolarHBondContact O-CA 3.41Å; E466-A469 WeakPolarHBondContact O-CB 3.17Å; E466-A469 PolarHBondContact O-N 2.88Å; E466-E470 PolarHBondContact O-N 2.93Å
467A95.4Very high95.5Very high38 Ų3896.8 Ų96.831%0.31451%0.511SS..Hα-helixtrans-60.7-29.2177.100000112.9T464 L471T464-A467 PolarHBondContact O-N 3.45Å; T464-A467 WeakPolarHBondContact OG1-CB 3.47Å; T464-A467 PolarHBondContact OG1-N 3.21Å; A467-L471 VanDerWaalsContact O-CB 3.25Å; A467-L471 WeakPolarHBondContact O-CB 3.36Å; A467-L471 PolarHBondContact O-N 3.44Å
468R96Very high95.6Very high118 Ų11894.3 Ų94.345%0.44551%0.507SS..Hα-helixtrans-71.1-34172-68.6170.966.9100.2-0.9112.4T463 T464 L465 E466 R472T463-R468 WeakPolarHBondContact OG1-CG 3.3Å; T464-R468 WeakPolarHBondContact O-CG 3.1Å; T464-R468 PolarHBondContact O-N 2.92Å; T464-R468 VanDerWaalsContact O-N 3.16Å; L465-R468 PolarHBondContact O-N 3.26Å; E466-R468 PolarHBondContact O-N 2.79Å; E466-R468 VanDerWaalsContact O-N 3.17Å; R468-R472 WeakPolarHBondContact O-CB 3.25Å; R468-R472 PolarHBondContact O-N 3.24Å; R468-R472 VanDerWaalsContact O-N 3.1Å
469A96.2Very high95.9Very high51 Ų5192.2 Ų92.242%0.42150%0.495SS..Hα-helixtrans-72.1-44.1175.800000111.3L465 E466 R472 I473L465-A469 PolarHBondContact O-N 3.35Å; E466-A469 WeakPolarHBondContact O-CA 3.41Å; E466-A469 WeakPolarHBondContact O-CB 3.17Å; E466-A469 PolarHBondContact O-N 2.88Å; A469-R472 WeakPolarHBondContact O-CB 3.36Å; A469-R472 PolarHBondContact O-N 3.26Å; A469-I473 WeakPolarHBondContact O-CG1 3.3Å; A469-I473 PolarHBondContact O-N 3.05Å
470E97.1Very high96Very high115 Ų11593.4 Ų93.454%0.53750%0.499SS..Hα-helixtrans-58.2-51.9173.2-66.7-177.214300111.4E466 R472 I473 D474E466-E470 PolarHBondContact O-N 2.93Å; E470-R472 PolarHBondContact O-N 3.3Å; E470-I473 WeakPolarHBondContact O-CB 3.35Å; E470-I473 PolarHBondContact O-N 3.21Å; E470-D474 PolarHBondContact O-N 2.86Å
471L96.7Very high96.3Very high101 Ų10199 Ų9953%0.52952%0.516SS..Hα-helixtrans-57.4-35.5176.2-18063000112.2A467 I475A467-L471 VanDerWaalsContact O-CB 3.25Å; A467-L471 WeakPolarHBondContact O-CB 3.36Å; A467-L471 PolarHBondContact O-N 3.44Å; L471-I475 HydrophobicContact CD1-CD1 4.05Å; L471-I475 HydrophobicContact CD1-CG1 4.32Å; L471-I475 HydrophobicContact CG-CD1 3.88Å; L471-I475 WeakPolarHBondContact O-CB 3.43Å; L471-I475 WeakPolarHBondContact O-CD1 3.38Å; L471-I475 WeakPolarHBondContact O-CG1 3.42Å; L471-I475 PolarHBondContact O-N 2.68Å
472R97.8Very high96.5Very high157 Ų157103.6 Ų103.659%0.59252%0.524SS*.Hα-helixtrans-65.9-42.8175.4-171.5-171.1172.1-67.4-8111.3R468 A469 E470 I475 E476R468-R472 WeakPolarHBondContact O-CB 3.25Å; R468-R472 PolarHBondContact O-N 3.24Å; R468-R472 VanDerWaalsContact O-N 3.1Å; A469-R472 WeakPolarHBondContact O-CB 3.36Å; A469-R472 PolarHBondContact O-N 3.26Å; E470-R472 PolarHBondContact O-N 3.3Å; R472-I475 PolarHBondContact O-N 3.33Å; R472-E476 IonicContact CZ-OE2 2.84Å; R472-E476 IonicContact NH1-OE2 3.33Å; R472-E476 PolarHBondContact NH1-OE2 3.4Å; R472-E476 IonicContact NH2-OE2 2.7Å; R472-E476 WeakPolarHBondContact O-CB 3.48Å; R472-E476 PolarHBondContact O-N 3.26Å
473I97.8Very high96.9Very high107 Ų107104.9 Ų104.955%0.54952%0.524SS..Hα-helixtrans-65.1-44177.4-66.5162.9000110.6A469 E470 I475 E476 A477A469-I473 WeakPolarHBondContact O-CG1 3.3Å; A469-I473 PolarHBondContact O-N 3.05Å; E470-I473 WeakPolarHBondContact O-CB 3.35Å; E470-I473 PolarHBondContact O-N 3.21Å; I473-I475 PolarHBondContact O-N 2.82Å; I473-E476 PolarHBondContact O-N 3Å; I473-A477 PolarHBondContact O-N 3.17Å
474D98Very high97.1Very high110 Ų110107.8 Ų107.859%0.58854%0.537SS*.Hα-helixtrans-62.1-42.5176.4-80.7-15.8000112.2E470 S478E470-D474 PolarHBondContact O-N 2.86Å; D474-S478 WeakPolarHBondContact O-CB 3.29Å; D474-S478 PolarHBondContact O-N 3.17Å
475I98.3Very high97.3Very high86 Ų86110.3 Ų110.344%0.44154%0.542SS..Hα-helixtrans-63.1-43.8174-72.1167.3000110.4L471 R472 I473 S478 L479L471-I475 HydrophobicContact CD1-CD1 4.05Å; L471-I475 HydrophobicContact CD1-CG1 4.32Å; L471-I475 HydrophobicContact CG-CD1 3.88Å; L471-I475 WeakPolarHBondContact O-CB 3.43Å; L471-I475 WeakPolarHBondContact O-CD1 3.38Å; L471-I475 WeakPolarHBondContact O-CG1 3.42Å; L471-I475 PolarHBondContact O-N 2.68Å; R472-I475 PolarHBondContact O-N 3.33Å; I473-I475 PolarHBondContact O-N 2.82Å; I475-S478 PolarHBondContact O-N 2.75Å; I475-L479 HydrophobicContact CG2-CD1 3.66Å; I475-L479 HydrophobicContact CG2-CG 4.2Å; I475-L479 WeakPolarHBondContact O-CB 3.46Å; I475-L479 VanDerWaalsContact O-CG 3.23Å; I475-L479 WeakPolarHBondContact O-CG 3.4Å; I475-L479 PolarHBondContact O-N 3.29Å
476E98.3Very high97.4Very high104 Ų104112.4 Ų112.449%0.48654%0.54SS..Hα-helixtrans-61.4-50.8179.7-172.5161.4-176.500111.6R472 I473 S478 L479 E480R472-E476 IonicContact CZ-OE2 2.84Å; R472-E476 IonicContact NH1-OE2 3.33Å; R472-E476 PolarHBondContact NH1-OE2 3.4Å; R472-E476 IonicContact NH2-OE2 2.7Å; R472-E476 WeakPolarHBondContact O-CB 3.48Å; R472-E476 PolarHBondContact O-N 3.26Å; I473-E476 PolarHBondContact O-N 3Å; E476-S478 VanDerWaalsContact C-N 3.34Å; E476-S478 PolarHBondContact O-N 2.96Å; E476-L479 PolarHBondContact O-N 3.25Å; E476-E480 WeakPolarHBondContact O-CB 3.26Å; E476-E480 PolarHBondContact O-N 3.49Å
477A97.9Very high97.5Very high52 Ų52108.4 Ų108.443%0.4353%0.526SS..Hα-helixtrans-64-35.3176.400000113.2I473 R481I473-A477 PolarHBondContact O-N 3.17Å; A477-R481 PolarHBondContact O-N 3.11Å
478S98.4Very high97.6Very high49 Ų49110.5 Ų110.534%0.34354%0.535SS..Hα-helixtrans-68.7-40.8175.5-174.70000112.1D474 I475 E476 R482D474-S478 WeakPolarHBondContact O-CB 3.29Å; D474-S478 PolarHBondContact O-N 3.17Å; I475-S478 PolarHBondContact O-N 2.75Å; E476-S478 VanDerWaalsContact C-N 3.34Å; E476-S478 PolarHBondContact O-N 2.96Å; S478-R482 VanDerWaalsContact O-CG 3.3Å; S478-R482 WeakPolarHBondContact O-CG 3.37Å; S478-R482 PolarHBondContact O-N 3.31Å
479L98.5Very high97.6Very high87 Ų87108.7 Ų108.746%0.45554%0.537SS..Hα-helixtrans-68.7-45.5176.2-74.8172.9000111.7I475 E476 R481 R482 L483I475-L479 HydrophobicContact CG2-CD1 3.66Å; I475-L479 HydrophobicContact CG2-CG 4.2Å; I475-L479 WeakPolarHBondContact O-CB 3.46Å; I475-L479 VanDerWaalsContact O-CG 3.23Å; I475-L479 WeakPolarHBondContact O-CG 3.4Å; I475-L479 PolarHBondContact O-N 3.29Å; E476-L479 PolarHBondContact O-N 3.25Å; L479-R481 VanDerWaalsContact C-N 3.32Å; L479-R481 PolarHBondContact O-N 3.43Å; L479-R482 PolarHBondContact O-N 2.89Å; L479-R482 VanDerWaalsContact O-N 3.09Å; L479-L483 WeakPolarHBondContact O-CB 3.4Å; L479-L483 VanDerWaalsContact O-CG 3.31Å; L479-L483 WeakPolarHBondContact O-CG 3.46Å; L479-L483 PolarHBondContact O-N 2.99Å
480E98.2Very high97.6Very high123 Ų123110.3 Ų110.358%0.57554%0.539SS*.Hα-helixtrans-55-48.6176.8-171.2-170.7177.900111E476 R482 L483 N484E476-E480 WeakPolarHBondContact O-CB 3.26Å; E476-E480 PolarHBondContact O-N 3.49Å; E480-R482 VanDerWaalsContact C-N 3.33Å; E480-R482 PolarHBondContact O-N 2.95Å; E480-L483 PolarHBondContact O-N 2.97Å; E480-N484 WeakPolarHBondContact O-CB 3.28Å; E480-N484 PolarHBondContact O-N 3.35Å; E480-N484 PolarHBondContact O-ND2 3.33Å
481R98.1Very high97.6Very high177 Ų177108.6 Ų108.667%0.66853%0.531SS*.Hα-helixtrans-57.5-43.1175.8-173.1-176.3-62.5-170.82.2112.5A477 L479 Q485A477-R481 PolarHBondContact O-N 3.11Å; L479-R481 VanDerWaalsContact C-N 3.32Å; L479-R481 PolarHBondContact O-N 3.43Å; R481-Q485 WeakPolarHBondContact O-CG 3.39Å; R481-Q485 PolarHBondContact O-N 3.01Å
482R98.2Very high97.7Very high172 Ų172106.2 Ų106.265%0.64952%0.519SS*.Hα-helixtrans-70.8-36.2179.9-72.2173.3-174.6-1671.9112.6S478 L479 E480 Q485 R486S478-R482 VanDerWaalsContact O-CG 3.3Å; S478-R482 WeakPolarHBondContact O-CG 3.37Å; S478-R482 PolarHBondContact O-N 3.31Å; L479-R482 PolarHBondContact O-N 2.89Å; L479-R482 VanDerWaalsContact O-N 3.09Å; E480-R482 VanDerWaalsContact C-N 3.33Å; E480-R482 PolarHBondContact O-N 2.95Å; R482-Q485 CarbonylContact O-C 3.59Å; R482-Q485 PolarHBondContact O-N 3.36Å; R482-R486 PolarHBondContact O-N 3.42Å; R482-R486 VanDerWaalsContact O-N 3.14Å
483L97.8Very high97.6Very high109 Ų109102.6 Ų102.657%0.57151%0.507SS*.Hα-helixtrans-69.4-38.9177.2-70.8171.3000111.4L479 E480 Q485 R486L479-L483 WeakPolarHBondContact O-CB 3.4Å; L479-L483 VanDerWaalsContact O-CG 3.31Å; L479-L483 WeakPolarHBondContact O-CG 3.46Å; L479-L483 PolarHBondContact O-N 2.99Å; E480-L483 PolarHBondContact O-N 2.97Å; L483-Q485 PolarHBondContact O-N 3.48Å; L483-R486 WeakPolarHBondContact O-CB 3.25Å; L483-R486 PolarHBondContact O-N 3.28Å
484N97.3Very high97.5Very high129 Ų129105.3 Ų105.369%0.6952%0.518SS*.Hα-helixtrans-66-21.1172.7-70.9-23.8000113.4E480E480-N484 WeakPolarHBondContact O-CB 3.28Å; E480-N484 PolarHBondContact O-N 3.35Å; E480-N484 PolarHBondContact O-ND2 3.33Å
485Q96.7Very high97.4Very high144 Ų144106.7 Ų106.767%0.67352%0.518SS*.THydrogen-bonded Turntrans-104.714175.7-65.9-178.1-4.400113.2R481 R482 L483 P487R481-Q485 WeakPolarHBondContact O-CG 3.39Å; R481-Q485 PolarHBondContact O-N 3.01Å; R482-Q485 CarbonylContact O-C 3.59Å; R482-Q485 PolarHBondContact O-N 3.36Å; L483-Q485 PolarHBondContact O-N 3.48Å; Q485-P487 VanDerWaalsContact O-CD 3.28Å; Q485-P487 WeakPolarHBondContact O-CD 3.48Å
486R97.8Very high97.2Very high187 Ų187107.9 Ų107.971%0.70653%0.526SS*.PPolyproline II helixtrans-64.7119.3-173.7-177177.7-177176.22.3111R482 L483R482-R486 PolarHBondContact O-N 3.42Å; R482-R486 VanDerWaalsContact O-N 3.14Å; L483-R486 WeakPolarHBondContact O-CB 3.25Å; L483-R486 PolarHBondContact O-N 3.28Å
487P97.3Very high97.1Very high60 Ų60108.3 Ų108.339%0.3953%0.53SS..PPolyproline II helixtrans-61.6146.7176.7-23.935.2000112.3Q485 E491 L492Q485-P487 VanDerWaalsContact O-CD 3.28Å; Q485-P487 WeakPolarHBondContact O-CD 3.48Å; P487-E491 VanDerWaalsContact CA-OE2 3.25Å; P487-E491 WeakPolarHBondContact CA-OE2 3.35Å; P487-E491 WeakPolarHBondContact CB-OE2 3.43Å; P487-L492 HydrophobicContact CB-CD2 4.14Å; P487-L492 HydrophobicContact CB-CG 4.32Å
488T97Very high96.9Very high82 Ų82109.4 Ų109.450%0.50353%0.528SS..PPolyproline II helixtrans-73.7148.9177.3-57.40000110.4D490 E491 L492T488-D490 PolarHBondContact O-N 2.89Å; T488-D490 VanDerWaalsContact O-N 3.11Å; T488-E491 PolarHBondContact N-OE2 3.43Å; T488-E491 WeakPolarHBondContact O-CB 3.45Å; T488-E491 PolarHBondContact O-N 3.29Å; T488-L492 PolarHBondContact O-N 2.93Å
489T96.7Very high96.7Very high80 Ų80110.8 Ų110.849%0.49153%0.529SS..Hα-helixtrans-49.5-39.1177.7-50.10000112.7L492 K493 L498T489-L492 PolarHBondContact O-N 3.22Å; T489-K493 WeakPolarHBondContact O-CG 3.47Å; T489-K493 PolarHBondContact O-N 3.39Å; T489-K493 VanDerWaalsContact O-N 3.17Å; T489-L498 HydrophobicContact CG2-CD2 3.42Å; T489-L498 VanDerWaalsContact CG2-CD2 3.42Å
490D96Very high96.3Very high85 Ų85111.5 Ų111.546%0.45554%0.537SS..Hα-helixtrans-74.8-30.5179.7-62.1-45.3000113.8T488 L492 K493 Q494T488-D490 PolarHBondContact O-N 2.89Å; T488-D490 VanDerWaalsContact O-N 3.11Å; D490-L492 VanDerWaalsContact C-N 3.3Å; D490-L492 PolarHBondContact O-N 3.36Å; D490-K493 WeakPolarHBondContact O-CB 3.37Å; D490-K493 PolarHBondContact O-N 3.08Å; D490-K493 WeakPolarHBondContact OD1-CD 3.47Å; D490-K493 WeakPolarHBondContact OD1-CE 3.42Å; D490-K493 IonicContact OD1-NZ 2.71Å; D490-K493 PolarHBondContact OD1-NZ 2.96Å; D490-Q494 WeakPolarHBondContact O-CG 3.35Å; D490-Q494 PolarHBondContact O-N 3.24Å
491E97.3Very high96Very high80 Ų80109.6 Ų109.637%0.37453%0.531SS..Hα-helixtrans-66.1-36.2171.5-60.1176.913700111P487 T488 K493 Q494 K495P487-E491 VanDerWaalsContact CA-OE2 3.25Å; P487-E491 WeakPolarHBondContact CA-OE2 3.35Å; P487-E491 WeakPolarHBondContact CB-OE2 3.43Å; T488-E491 PolarHBondContact N-OE2 3.43Å; T488-E491 WeakPolarHBondContact O-CB 3.45Å; T488-E491 PolarHBondContact O-N 3.29Å; E491-K493 VanDerWaalsContact C-N 3.34Å; E491-Q494 PolarHBondContact O-N 3.18Å; E491-K495 WeakPolarHBondContact O-CB 3.32Å; E491-K495 VanDerWaalsContact O-CG 3.32Å; E491-K495 WeakPolarHBondContact O-CG 3.4Å; E491-K495 PolarHBondContact O-N 3.4Å
492L98Very high95.7Very high51 Ų51105.5 Ų105.527%0.26753%0.526SS..Hα-helixtrans-68.6-32.3174.8-63.6177.1000112.2P487 T488 T489 D490 N496 I497 L498P487-L492 HydrophobicContact CB-CD2 4.14Å; P487-L492 HydrophobicContact CB-CG 4.32Å; T488-L492 PolarHBondContact O-N 2.93Å; T489-L492 PolarHBondContact O-N 3.22Å; D490-L492 VanDerWaalsContact C-N 3.3Å; D490-L492 PolarHBondContact O-N 3.36Å; L492-N496 PolarHBondContact O-N 3.42Å; L492-I497 HydrophobicContact CB-CB 4.49Å; L492-I497 HydrophobicContact CD2-CB 4.36Å; L492-I497 HydrophobicContact CD2-CD1 3.97Å; L492-I497 HydrophobicContact CD2-CG2 4.37Å; L492-I497 PolarHBondContact O-N 3.5Å; L492-L498 HydrophobicContact CB-CB 3.82Å; L492-L498 PolarHBondContact O-N 2.87Å
493K95.8Very high95.5Very high81 Ų81103.2 Ų103.235%0.35252%0.522SS..Hα-helixtrans-66.7-48.8170.5-64.3169.6-169.4166.70111.3T489 D490 E491 K495 N496 L498 V500T489-K493 WeakPolarHBondContact O-CG 3.47Å; T489-K493 PolarHBondContact O-N 3.39Å; T489-K493 VanDerWaalsContact O-N 3.17Å; D490-K493 WeakPolarHBondContact O-CB 3.37Å; D490-K493 PolarHBondContact O-N 3.08Å; D490-K493 WeakPolarHBondContact OD1-CD 3.47Å; D490-K493 WeakPolarHBondContact OD1-CE 3.42Å; D490-K493 IonicContact OD1-NZ 2.71Å; D490-K493 PolarHBondContact OD1-NZ 2.96Å; E491-K493 VanDerWaalsContact C-N 3.34Å; K493-K495 VanDerWaalsContact C-N 3.3Å; K493-K495 PolarHBondContact O-N 3.47Å; K493-N496 WeakPolarHBondContact O-CA 3.44Å; K493-N496 PolarHBondContact O-N 3.33Å; K493-L498 WeakPolarHBondContact CA-O 3.48Å; K493-L498 HydrophobicContact CG-CB 4.47Å; K493-L498 HydrophobicContact CG-CD2 4.35Å; K493-L498 HydrophobicContact CG-CG 4.46Å; K493-V500 HydrophobicContact CB-CG2 4.44Å; K493-V500 HydrophobicContact CD-CG2 3.48Å; K493-V500 VanDerWaalsContact CD-CG2 3.48Å; K493-V500 HydrophobicContact CG-CG2 3.68Å
494Q95.4Very high95.3Very high164 Ų164105.5 Ų105.577%0.76653%0.53SS*.Hα-helixtrans-61-37.1179.5-71.2172.78.800112.6D490 E491 N496D490-Q494 WeakPolarHBondContact O-CG 3.35Å; D490-Q494 PolarHBondContact O-N 3.24Å; E491-Q494 PolarHBondContact O-N 3.18Å; Q494-N496 PolarHBondContact O-N 3.32Å
495K97.1Very high95.2Very high138 Ų138102.4 Ų102.460%0.652%0.516SS*.THydrogen-bonded Turntrans-76.91.8174.3-69.5171.5-177.8169.40113.9E491 K493 I497E491-K495 WeakPolarHBondContact O-CB 3.32Å; E491-K495 VanDerWaalsContact O-CG 3.32Å; E491-K495 WeakPolarHBondContact O-CG 3.4Å; E491-K495 PolarHBondContact O-N 3.4Å; K493-K495 VanDerWaalsContact C-N 3.3Å; K493-K495 PolarHBondContact O-N 3.47Å; K495-I497 HydrophobicContact CB-CD1 3.92Å; K495-I497 HydrophobicContact CB-CG1 4.05Å; K495-I497 HydrophobicContact CD-CD1 4.43Å; K495-I497 PolarHBondContact O-N 3.32Å
496N93.7Very high95.1Very high112 Ų11299.7 Ų99.760%0.59950%0.499SS*.THydrogen-bonded Turntrans52.939.4-175.3-164.178.3000113.3L492 K493 Q494 H499L492-N496 PolarHBondContact O-N 3.42Å; K493-N496 WeakPolarHBondContact O-CA 3.44Å; K493-N496 PolarHBondContact O-N 3.33Å; Q494-N496 PolarHBondContact O-N 3.32Å; N496-H499 PolarHBondContact ND2-NE2 3.16Å
497I95.6Very high95Very high112 Ų11294.7 Ų94.757%0.57449%0.486SS*.SBendtrans-96.8-45.9172.5-60.5170.7000109.2L492 K495L492-I497 HydrophobicContact CB-CB 4.49Å; L492-I497 HydrophobicContact CD2-CB 4.36Å; L492-I497 HydrophobicContact CD2-CD1 3.97Å; L492-I497 HydrophobicContact CD2-CG2 4.37Å; L492-I497 PolarHBondContact O-N 3.5Å; K495-I497 HydrophobicContact CB-CD1 3.92Å; K495-I497 HydrophobicContact CB-CG1 4.05Å; K495-I497 HydrophobicContact CD-CD1 4.43Å; K495-I497 PolarHBondContact O-N 3.32Å
498L94.9Very high94.9Very high75 Ų7598.5 Ų98.539%0.39350%0.497SS..SBendtrans-100107.6174.6-179.963.2000109.8T489 L492 K493T489-L498 HydrophobicContact CG2-CD2 3.42Å; T489-L498 VanDerWaalsContact CG2-CD2 3.42Å; L492-L498 HydrophobicContact CB-CB 3.82Å; L492-L498 PolarHBondContact O-N 2.87Å; K493-L498 WeakPolarHBondContact CA-O 3.48Å; K493-L498 HydrophobicContact CG-CB 4.47Å; K493-L498 HydrophobicContact CG-CD2 4.35Å; K493-L498 HydrophobicContact CG-CG 4.46Å
499H93.2Very high94.9Very high78 Ų7896.9 Ų96.936%0.36149%0.485SS..  trans-76.5130.6172.7-55.1110.5000110.1N496 R506N496-H499 PolarHBondContact ND2-NE2 3.16Å; H499-R506 PolarHBondContact CE1-NH1 3.45Å; H499-R506 VanDerWaalsContact CE1-NH1 3.33Å; H499-R506 PolarHBondContact ND1-NH1 3.26Å; H499-R506 PolarHBondContact NE2-NH1 3.16Å
500V90.2Very high94.9Very high103 Ų103100 Ų10062%0.62449%0.492SS*.  trans-79.3-36.9175.3-175.50000111K493K493-V500 HydrophobicContact CB-CG2 4.44Å; K493-V500 HydrophobicContact CD-CG2 3.48Å; K493-V500 VanDerWaalsContact CD-CG2 3.48Å; K493-V500 HydrophobicContact CG-CG2 3.68Å
501D90.9Very high95Very high82 Ų8299.7 Ų99.744%0.43949%0.487SS..SBendtrans-88139.8-173.5-50.1-42.2000111.7V505 R506D501-V505 HydrophobicContact CB-CB 4.13Å; D501-V505 HydrophobicContact CB-CG1 4Å; D501-R506 HydrophobicContact CB-CG 3.84Å; D501-R506 PolarHBondContact O-NE 2.94Å
502T92.5Very high95Very high92 Ų92100.1 Ų100.156%0.56449%0.489SS*.  trans-52.9148.8168.4-46.80000110.7E504 V505 R506T502-E504 VanDerWaalsContact C-N 3.25Å; T502-E504 HydrophobicContact CG2-CB 4.5Å; T502-E504 HydrophobicContact CG2-CG 4.5Å; T502-E504 PolarHBondContact O-N 2.95Å; T502-V505 WeakPolarHBondContact O-CB 3.42Å; T502-V505 PolarHBondContact O-N 3.23Å; T502-R506 PolarHBondContact O-N 3.37Å; T502-R506 VanDerWaalsContact O-N 3.08Å
503E93.6Very high95Very high124 Ų124106.2 Ų106.258%0.57951%0.509SS*.Hα-helixtrans-53.2-40.4178.7-178.2167.3-170.100113.6V505 R506 N507E503-V505 VanDerWaalsContact C-N 3.34Å; E503-V505 PolarHBondContact O-N 3.21Å; E503-R506 PolarHBondContact O-N 2.84Å; E503-N507 WeakPolarHBondContact O-CB 3.47Å; E503-N507 PolarHBondContact O-N 2.89Å; E503-N507 PolarHBondContact O-ND2 3.18Å
504E94.2Very high95.1Very high156 Ų156107.6 Ų107.673%0.72952%0.515SS*.Hα-helixtrans-55.2-45.3174-62.4175.6179.400112.7T502 N507 K508T502-E504 VanDerWaalsContact C-N 3.25Å; T502-E504 HydrophobicContact CG2-CB 4.5Å; T502-E504 HydrophobicContact CG2-CG 4.5Å; T502-E504 PolarHBondContact O-N 2.95Å; E504-N507 PolarHBondContact O-N 2.95Å; E504-K508 WeakPolarHBondContact O-CB 3.31Å; E504-K508 PolarHBondContact O-N 3.35Å
505V95Very high95.2Very high65 Ų65105.5 Ų105.539%0.39451%0.505SS..Hα-helixtrans-67.2-43.2179.3176.50000110.3D501 T502 E503 N507 K508 I509D501-V505 HydrophobicContact CB-CB 4.13Å; D501-V505 HydrophobicContact CB-CG1 4Å; T502-V505 WeakPolarHBondContact O-CB 3.42Å; T502-V505 PolarHBondContact O-N 3.23Å; E503-V505 VanDerWaalsContact C-N 3.34Å; E503-V505 PolarHBondContact O-N 3.21Å; V505-N507 VanDerWaalsContact C-N 3.32Å; V505-N507 PolarHBondContact O-N 2.95Å; V505-K508 PolarHBondContact O-N 3.48Å; V505-I509 HydrophobicContact CG1-CD1 3.86Å; V505-I509 VanDerWaalsContact O-CG1 3.31Å; V505-I509 WeakPolarHBondContact O-CG1 3.45Å; V505-I509 PolarHBondContact O-N 3.44Å
506R93.9Very high95.3Very high87 Ų87102.9 Ų102.933%0.32850%0.497SS..Hα-helixtrans-61.4-40.6175.4-64.7-171.6-69.2139.79.9111.8H499 D501 T502 E503 K510H499-R506 PolarHBondContact CE1-NH1 3.45Å; H499-R506 VanDerWaalsContact CE1-NH1 3.33Å; H499-R506 PolarHBondContact ND1-NH1 3.26Å; H499-R506 PolarHBondContact NE2-NH1 3.16Å; D501-R506 HydrophobicContact CB-CG 3.84Å; D501-R506 PolarHBondContact O-NE 2.94Å; T502-R506 PolarHBondContact O-N 3.37Å; T502-R506 VanDerWaalsContact O-N 3.08Å; E503-R506 PolarHBondContact O-N 2.84Å; R506-K510 VanDerWaalsContact O-CB 3.31Å; R506-K510 WeakPolarHBondContact O-CB 3.21Å; R506-K510 PolarHBondContact O-N 3.45Å
507N95.9Very high95.5Very high81 Ų81102.3 Ų102.343%0.43349%0.493SS..Hα-helixtrans-68-40.3176.8-75.1-25000112E503 E504 V505 K510 E511E503-N507 WeakPolarHBondContact O-CB 3.47Å; E503-N507 PolarHBondContact O-N 2.89Å; E503-N507 PolarHBondContact O-ND2 3.18Å; E504-N507 PolarHBondContact O-N 2.95Å; V505-N507 VanDerWaalsContact C-N 3.32Å; V505-N507 PolarHBondContact O-N 2.95Å; N507-K510 WeakPolarHBondContact O-CB 3.39Å; N507-K510 PolarHBondContact O-N 3.47Å; N507-E511 PolarHBondContact O-N 2.76Å
508K96.6Very high95.6Very high140 Ų140101.4 Ų101.461%0.60949%0.493SS*.Hα-helixtrans-61.8-48.6173.7-168.5-179.5180-173.90111.9E504 V505 K510 E511 E512E504-K508 WeakPolarHBondContact O-CB 3.31Å; E504-K508 PolarHBondContact O-N 3.35Å; V505-K508 PolarHBondContact O-N 3.48Å; K508-K510 VanDerWaalsContact C-N 3.26Å; K508-K510 PolarHBondContact O-N 2.84Å; K508-E511 PolarHBondContact O-N 2.95Å; K508-E512 WeakPolarHBondContact CE-OE1 3.44Å; K508-E512 WeakPolarHBondContact O-CG 3.35Å; K508-E512 PolarHBondContact O-N 2.92Å
509I96.2Very high95.7Very high49 Ų49105 Ų10525%0.25150%0.501SS..Hα-helixtrans-59.2-38.1175.1-68.7167.2000111.2V505 R513V505-I509 HydrophobicContact CG1-CD1 3.86Å; V505-I509 VanDerWaalsContact O-CG1 3.31Å; V505-I509 WeakPolarHBondContact O-CG1 3.45Å; V505-I509 PolarHBondContact O-N 3.44Å; I509-R513 HydrophobicContact CG2-CG 4.43Å; I509-R513 VanDerWaalsContact CG2-CZ 3.49Å; I509-R513 VanDerWaalsContact O-CB 3.3Å; I509-R513 WeakPolarHBondContact O-CB 3.17Å; I509-R513 WeakPolarHBondContact O-CG 3.3Å; I509-R513 PolarHBondContact O-N 2.99Å
510K97.2Very high96Very high145 Ų145108 Ų10863%0.6351%0.513SS*.Hα-helixtrans-65.5-43176.8-175.8-178.2178.3-175.30111.8R506 N507 K508 K514R506-K510 VanDerWaalsContact O-CB 3.31Å; R506-K510 WeakPolarHBondContact O-CB 3.21Å; R506-K510 PolarHBondContact O-N 3.45Å; N507-K510 WeakPolarHBondContact O-CB 3.39Å; N507-K510 PolarHBondContact O-N 3.47Å; K508-K510 VanDerWaalsContact C-N 3.26Å; K508-K510 PolarHBondContact O-N 2.84Å; K510-K514 WeakPolarHBondContact O-CB 3.3Å; K510-K514 PolarHBondContact O-N 3.23Å
511E97.6Very high96.3Very high78 Ų78108.1 Ų108.136%0.36451%0.51SS..Hα-helixtrans-70.7-41.3177.9-169.856.7-14500111.8N507 K508 R513 K514 Q515N507-E511 PolarHBondContact O-N 2.76Å; K508-E511 PolarHBondContact O-N 2.95Å; E511-R513 PolarHBondContact O-N 2.87Å; E511-K514 WeakPolarHBondContact O-CB 3.31Å; E511-K514 PolarHBondContact O-N 3.06Å; E511-K514 VanDerWaalsContact O-N 3.16Å; E511-K514 IonicContact OE1-NZ 2.88Å; E511-K514 PolarHBondContact OE1-NZ 3.14Å; E511-K514 IonicContact OE2-NZ 3.79Å; E511-K514 PolarHBondContact OE2-NZ 2.96Å; E511-Q515 WeakPolarHBondContact O-CG 3.26Å; E511-Q515 PolarHBondContact O-N 2.7Å
512E97.7Very high96.5Very high89 Ų89108.3 Ų108.342%0.41652%0.517SS..Hα-helixtrans-58.5-46172.2-72.3171.1-173.600111.5K508 K514 Q515 I516K508-E512 WeakPolarHBondContact CE-OE1 3.44Å; K508-E512 WeakPolarHBondContact O-CG 3.35Å; K508-E512 PolarHBondContact O-N 2.92Å; E512-K514 VanDerWaalsContact C-N 3.33Å; E512-K514 PolarHBondContact O-N 3.41Å; E512-Q515 PolarHBondContact O-N 3.39Å; E512-I516 WeakPolarHBondContact O-CB 3.47Å; E512-I516 VanDerWaalsContact O-CG1 3.26Å; E512-I516 WeakPolarHBondContact O-CG1 3.43Å; E512-I516 PolarHBondContact O-N 3.24Å
513R98Very high96.7Very high179 Ų179111.8 Ų111.868%0.67553%0.525SS*.Hα-helixtrans-60.4-41174.2-76.3171.5-178.41743.8112.2I509 E511 L517I509-R513 HydrophobicContact CG2-CG 4.43Å; I509-R513 VanDerWaalsContact CG2-CZ 3.49Å; I509-R513 VanDerWaalsContact O-CB 3.3Å; I509-R513 WeakPolarHBondContact O-CB 3.17Å; I509-R513 WeakPolarHBondContact O-CG 3.3Å; I509-R513 PolarHBondContact O-N 2.99Å; E511-R513 PolarHBondContact O-N 2.87Å; R513-L517 VanDerWaalsContact O-CB 3.3Å; R513-L517 WeakPolarHBondContact O-CB 3.34Å; R513-L517 PolarHBondContact O-N 2.88Å
514K98.1Very high96.9Very high111 Ų111114.8 Ų114.848%0.48353%0.531SS..Hα-helixtrans-64.2-47.4176.7175173.6152-114.50111.4K510 E511 E512 I516 L517 T518K510-K514 WeakPolarHBondContact O-CB 3.3Å; K510-K514 PolarHBondContact O-N 3.23Å; E511-K514 WeakPolarHBondContact O-CB 3.31Å; E511-K514 PolarHBondContact O-N 3.06Å; E511-K514 VanDerWaalsContact O-N 3.16Å; E511-K514 IonicContact OE1-NZ 2.88Å; E511-K514 PolarHBondContact OE1-NZ 3.14Å; E511-K514 IonicContact OE2-NZ 3.79Å; E511-K514 PolarHBondContact OE2-NZ 2.96Å; E512-K514 VanDerWaalsContact C-N 3.33Å; E512-K514 PolarHBondContact O-N 3.41Å; K514-I516 PolarHBondContact O-N 2.65Å; K514-L517 PolarHBondContact O-N 3.23Å; K514-T518 PolarHBondContact O-N 2.97Å; K514-T518 PolarHBondContact O-OG1 3.18Å
515Q97.9Very high96.9Very high119 Ų119109.8 Ų109.856%0.55651%0.512SS*.Hα-helixtrans-60-45.6176-70.2175.614.200112E511 E512 L517 T518 R519E511-Q515 WeakPolarHBondContact O-CG 3.26Å; E511-Q515 PolarHBondContact O-N 2.7Å; E512-Q515 PolarHBondContact O-N 3.39Å; Q515-L517 VanDerWaalsContact C-N 3.34Å; Q515-L517 PolarHBondContact O-N 3.43Å; Q515-T518 PolarHBondContact O-N 2.98Å; Q515-R519 WeakPolarHBondContact O-CB 3.37Å; Q515-R519 PolarHBondContact O-N 2.99Å
516I98Very high96.9Very high84 Ų84110.7 Ų110.743%0.43152%0.518SS..Hα-helixtrans-61.9-42176-68.4165.3000111.1E512 K514 K520E512-I516 WeakPolarHBondContact O-CB 3.47Å; E512-I516 VanDerWaalsContact O-CG1 3.26Å; E512-I516 WeakPolarHBondContact O-CG1 3.43Å; E512-I516 PolarHBondContact O-N 3.24Å; K514-I516 PolarHBondContact O-N 2.65Å; I516-K520 HydrophobicContact CG2-CD 4.33Å; I516-K520 WeakPolarHBondContact O-CG 3.31Å; I516-K520 PolarHBondContact O-N 2.93Å
517L98.4Very high96.7Very high100 Ų100108.2 Ų108.252%0.52451%0.512SS..Hα-helixtrans-65.8-48.1178.4-179.659.9000111.5R513 K514 Q515 R519 K520 L521R513-L517 VanDerWaalsContact O-CB 3.3Å; R513-L517 WeakPolarHBondContact O-CB 3.34Å; R513-L517 PolarHBondContact O-N 2.88Å; K514-L517 PolarHBondContact O-N 3.23Å; Q515-L517 VanDerWaalsContact C-N 3.34Å; Q515-L517 PolarHBondContact O-N 3.43Å; L517-R519 VanDerWaalsContact C-N 3.32Å; L517-R519 PolarHBondContact O-N 3.34Å; L517-K520 PolarHBondContact O-N 3.25Å; L517-L521 HydrophobicContact CD1-CD1 3.97Å; L517-L521 HydrophobicContact CD1-CG 4.04Å; L517-L521 HydrophobicContact CG-CD1 3.92Å; L517-L521 HydrophobicContact CG-CG 4.38Å; L517-L521 WeakPolarHBondContact O-CG 3.4Å; L517-L521 PolarHBondContact O-N 3.21Å
518T97.6Very high96.5Very high92 Ų92108.9 Ų108.956%0.56451%0.513SS*.Hα-helixtrans-56.2-46.2175.9-62.80000111.2K514 Q515 K520 L521 S522K514-T518 PolarHBondContact O-N 2.97Å; K514-T518 PolarHBondContact O-OG1 3.18Å; Q515-T518 PolarHBondContact O-N 2.98Å; T518-K520 VanDerWaalsContact C-N 3.33Å; T518-K520 PolarHBondContact O-N 3.36Å; T518-L521 PolarHBondContact O-N 2.95Å; T518-S522 PolarHBondContact O-N 2.94Å
519R97.5Very high96.4Very high150 Ų150104.8 Ų104.857%0.56650%0.496SS*.Hα-helixtrans-64-33.5175.6-171.4-178.66680.8-6.4113.2Q515 L517 S522 F523Q515-R519 WeakPolarHBondContact O-CB 3.37Å; Q515-R519 PolarHBondContact O-N 2.99Å; L517-R519 VanDerWaalsContact C-N 3.32Å; L517-R519 PolarHBondContact O-N 3.34Å; R519-S522 PolarHBondContact O-OG 2.87Å; R519-F523 VanDerWaalsContact O-CD2 3.31Å; R519-F523 WeakPolarHBondContact O-CD2 3.42Å
520K98.1Very high96.4Very high141 Ų141103.9 Ų103.961%0.61349%0.491SS*.Hα-helixtrans-73.1-35.1174.9-78.6-176.5174.4-174.10112.2I516 L517 T518I516-K520 HydrophobicContact CG2-CD 4.33Å; I516-K520 WeakPolarHBondContact O-CG 3.31Å; I516-K520 PolarHBondContact O-N 2.93Å; L517-K520 PolarHBondContact O-N 3.25Å; T518-K520 VanDerWaalsContact C-N 3.33Å; T518-K520 PolarHBondContact O-N 3.36Å
521L97Very high96.1Very high106 Ų106101.4 Ų101.456%0.55548%0.478SS*.Hα-helixtrans-76.1-27.5179.1-68.4174.6000113L517 T518 F523 R524L517-L521 HydrophobicContact CD1-CD1 3.97Å; L517-L521 HydrophobicContact CD1-CG 4.04Å; L517-L521 HydrophobicContact CG-CD1 3.92Å; L517-L521 HydrophobicContact CG-CG 4.38Å; L517-L521 WeakPolarHBondContact O-CG 3.4Å; L517-L521 PolarHBondContact O-N 3.21Å; T518-L521 PolarHBondContact O-N 2.95Å; L521-F523 VanDerWaalsContact C-N 3.27Å; L521-F523 PolarHBondContact O-N 3.32Å; L521-R524 WeakPolarHBondContact O-CB 3.2Å; L521-R524 PolarHBondContact O-N 3.04Å
522S96.5Very high95.9Very high86 Ų86106.6 Ų106.660%0.60149%0.494SS*.Hα-helixtrans-67.2-27.1173.664.60000113.2T518 R519T518-S522 PolarHBondContact O-N 2.94Å; R519-S522 PolarHBondContact O-OG 2.87Å
523F95.9Very high95.8Very high166 Ų166109.9 Ų109.973%0.72850%0.503SS*.THydrogen-bonded Turntrans-98.832.1173-65-71.4000112.5R519 L521 P525R519-F523 VanDerWaalsContact O-CD2 3.31Å; R519-F523 WeakPolarHBondContact O-CD2 3.42Å; L521-F523 VanDerWaalsContact C-N 3.27Å; L521-F523 PolarHBondContact O-N 3.32Å; F523-P525 WeakPolarHBondContact O-CD 3.5Å
524R96.8Very high95.6Very high187 Ų187110.4 Ų110.471%0.70651%0.51SS*.PPolyproline II helixtrans-70.5119.8175.9-178.5179.5-178.3-161.4-0.3109.9L521L521-R524 WeakPolarHBondContact O-CB 3.2Å; L521-R524 PolarHBondContact O-N 3.04Å
525P95.6Very high95.4Very high51 Ų51110.4 Ų110.433%0.33151%0.514SS..PPolyproline II helixtrans-66.6150.5177.528.2-35000111.4F523 E529 L530F523-P525 WeakPolarHBondContact O-CD 3.5Å; P525-E529 WeakPolarHBondContact CA-OE2 3.48Å; P525-E529 HydrophobicContact CB-CG 4.42Å; P525-E529 WeakPolarHBondContact CB-OE2 3.18Å; P525-L530 HydrophobicContact CB-CD2 4.16Å; P525-L530 HydrophobicContact CB-CG 4.23Å; P525-L530 HydrophobicContact CG-CD1 4.19Å; P525-L530 HydrophobicContact CG-CD2 3.84Å; P525-L530 HydrophobicContact CG-CG 4.14Å
526T93.5Very high95.1Very high84 Ų84105.5 Ų105.552%0.51549%0.492SS..PPolyproline II helixtrans-77.1158.7178.962.10000111.8E528 E529 L530T526-E528 VanDerWaalsContact C-N 3.26Å; T526-E528 PolarHBondContact O-N 3.19Å; T526-E529 WeakPolarHBondContact O-CB 3.46Å; T526-E529 PolarHBondContact O-N 3.27Å; T526-E529 VanDerWaalsContact O-N 3.11Å; T526-E529 WeakPolarHBondContact OG1-CB 3.37Å; T526-E529 PolarHBondContact OG1-N 3.45Å; T526-L530 WeakPolarHBondContact O-CG 3.22Å; T526-L530 PolarHBondContact O-N 2.85Å
527V91.2Very high94.7Very high34 Ų34109.6 Ų109.621%0.20650%0.502CS..Hα-helixtrans-58-41.2177-179.50000110.8E529 L530 R531 Y541V527-E529 VanDerWaalsContact C-N 3.34Å; V527-E529 PolarHBondContact O-N 3.33Å; V527-L530 PolarHBondContact O-N 3.04Å; V527-R531 HydrophobicContact CG1-CG 4.42Å; V527-R531 WeakPolarHBondContact O-CG 3.46Å; V527-R531 PolarHBondContact O-N 3.06Å; V527-Y541 HydrophobicContact CG2-CD1 4.46Å
528E91.4Very high94Very high96 Ų96112.3 Ų112.345%0.44951%0.51SS..Hα-helixtrans-69.2-26.8177.1-66.5-50.1135.500114.4T526 R531 R532T526-E528 VanDerWaalsContact C-N 3.26Å; T526-E528 PolarHBondContact O-N 3.19Å; E528-R531 WeakPolarHBondContact OE1-CD 3.46Å; E528-R531 IonicContact OE1-CZ 2.66Å; E528-R531 IonicContact OE1-NE 2.7Å; E528-R531 IonicContact OE1-NH1 3.78Å; E528-R531 PolarHBondContact OE1-NH1 3.11Å; E528-R532 WeakPolarHBondContact O-CB 3.31Å; E528-R532 WeakPolarHBondContact O-CG 3.47Å; E528-R532 PolarHBondContact O-N 3.45Å; E528-R532 VanDerWaalsContact O-N 3.15Å; E528-R532 PolarHBondContact O-NE 3Å
529E94.2Very high93.5Very high53 Ų53113 Ų11325%0.24851%0.51CS..Hα-helixtrans-69.7-43.6168.6-179173.3-159.400111.6P525 T526 V527 R532 R533P525-E529 WeakPolarHBondContact CA-OE2 3.48Å; P525-E529 HydrophobicContact CB-CG 4.42Å; P525-E529 WeakPolarHBondContact CB-OE2 3.18Å; T526-E529 WeakPolarHBondContact O-CB 3.46Å; T526-E529 PolarHBondContact O-N 3.27Å; T526-E529 VanDerWaalsContact O-N 3.11Å; T526-E529 WeakPolarHBondContact OG1-CB 3.37Å; T526-E529 PolarHBondContact OG1-N 3.45Å; V527-E529 VanDerWaalsContact C-N 3.34Å; V527-E529 PolarHBondContact O-N 3.33Å; E529-R532 PolarHBondContact O-N 3.38Å; E529-R533 WeakPolarHBondContact O-CB 3.45Å; E529-R533 VanDerWaalsContact O-CG 3.31Å; E529-R533 WeakPolarHBondContact O-CG 3.44Å; E529-R533 PolarHBondContact O-N 3.48Å; E529-R533 IonicContact OE1-CZ 2.81Å; E529-R533 IonicContact OE1-NE 3.52Å; E529-R533 PolarHBondContact OE1-NE 3.15Å; E529-R533 IonicContact OE1-NH2 2.68Å; E529-R533 PolarHBondContact OE1-NH2 3.32Å
530L95.6Very high93Very high30 Ų30109.1 Ų109.116%0.15750%0.5CS..Hα-helixtrans-69-33.2178.9-64.1172.7000112.7P525 T526 V527 R533 K534 I535 I536P525-L530 HydrophobicContact CB-CD2 4.16Å; P525-L530 HydrophobicContact CB-CG 4.23Å; P525-L530 HydrophobicContact CG-CD1 4.19Å; P525-L530 HydrophobicContact CG-CD2 3.84Å; P525-L530 HydrophobicContact CG-CG 4.14Å; T526-L530 WeakPolarHBondContact O-CG 3.22Å; T526-L530 PolarHBondContact O-N 2.85Å; V527-L530 PolarHBondContact O-N 3.04Å; L530-R533 PolarHBondContact O-N 2.66Å; L530-K534 PolarHBondContact O-N 3.27Å; L530-I535 HydrophobicContact CD2-CB 4.4Å; L530-I535 HydrophobicContact CD2-CD1 3.84Å; L530-I535 HydrophobicContact CD2-CG2 4.46Å; L530-I535 PolarHBondContact O-N 3.49Å; L530-I536 HydrophobicContact CB-CB 4.31Å; L530-I536 HydrophobicContact CB-CD1 3.68Å; L530-I536 HydrophobicContact CB-CG1 4.22Å; L530-I536 HydrophobicContact CD1-CD1 3.49Å; L530-I536 VanDerWaalsContact CD1-CD1 3.49Å; L530-I536 HydrophobicContact CG-CD1 4.2Å
531R91.8Very high92.4Very high93 Ų93108 Ų10835%0.35149%0.493SS..Hα-helixtrans-62.8-48.7169.3-76.2173.5172.9-179.8-2.7111.3V527 E528 R533 K534 I536 Y541V527-R531 HydrophobicContact CG1-CG 4.42Å; V527-R531 WeakPolarHBondContact O-CG 3.46Å; V527-R531 PolarHBondContact O-N 3.06Å; E528-R531 WeakPolarHBondContact OE1-CD 3.46Å; E528-R531 IonicContact OE1-CZ 2.66Å; E528-R531 IonicContact OE1-NE 2.7Å; E528-R531 IonicContact OE1-NH1 3.78Å; E528-R531 PolarHBondContact OE1-NH1 3.11Å; R531-R533 VanDerWaalsContact C-N 3.31Å; R531-R533 PolarHBondContact O-N 3.46Å; R531-K534 WeakPolarHBondContact O-CA 3.38Å; R531-K534 PolarHBondContact O-N 2.88Å; R531-I536 HydrophobicContact CG-CG2 4.24Å; R531-Y541 PolarHBondContact NH2-O 3.16Å
532R93.7Very high91.7Very high188 Ų188108.4 Ų108.471%0.70950%0.499SS*.Hα-helixtrans-59.9-38175-77.9178.2-70.4154.6-3.4113E528 E529 K534E528-R532 WeakPolarHBondContact O-CB 3.31Å; E528-R532 WeakPolarHBondContact O-CG 3.47Å; E528-R532 PolarHBondContact O-N 3.45Å; E528-R532 VanDerWaalsContact O-N 3.15Å; E528-R532 PolarHBondContact O-NE 3Å; E529-R532 PolarHBondContact O-N 3.38Å; R532-K534 PolarHBondContact O-N 3.03Å
533R95.7Very high90.9Very high158 Ų158111.5 Ų111.560%0.59651%0.505SS*.THydrogen-bonded Turntrans-75.4-1173.9-66.1175.1-175.4-143.55.3113.8E529 L530 R531 I535E529-R533 WeakPolarHBondContact O-CB 3.45Å; E529-R533 VanDerWaalsContact O-CG 3.31Å; E529-R533 WeakPolarHBondContact O-CG 3.44Å; E529-R533 PolarHBondContact O-N 3.48Å; E529-R533 IonicContact OE1-CZ 2.81Å; E529-R533 IonicContact OE1-NE 3.52Å; E529-R533 PolarHBondContact OE1-NE 3.15Å; E529-R533 IonicContact OE1-NH2 2.68Å; E529-R533 PolarHBondContact OE1-NH2 3.32Å; L530-R533 PolarHBondContact O-N 2.66Å; R531-R533 VanDerWaalsContact C-N 3.31Å; R531-R533 PolarHBondContact O-N 3.46Å; R533-I535 HydrophobicContact CB-CD1 3.8Å; R533-I535 HydrophobicContact CB-CG1 3.95Å; R533-I535 PolarHBondContact O-N 2.79Å
534K92.9Very high90.2Very high190 Ų190110.3 Ų110.383%0.82651%0.51SS*.THydrogen-bonded Turntrans55.627.1-176.7-57.1-178.5-179.6178.40114.4L530 R531 R532L530-K534 PolarHBondContact O-N 3.27Å; R531-K534 WeakPolarHBondContact O-CA 3.38Å; R531-K534 PolarHBondContact O-N 2.88Å; R532-K534 PolarHBondContact O-N 3.03Å
535I93.8Very high89.4Confident111 Ų111106.1 Ų106.157%0.56951%0.51SS*.SBendtrans-81.6-33.2176.4-62.6170.3000110.6L530 R533L530-I535 HydrophobicContact CD2-CB 4.4Å; L530-I535 HydrophobicContact CD2-CD1 3.84Å; L530-I535 HydrophobicContact CD2-CG2 4.46Å; L530-I535 PolarHBondContact O-N 3.49Å; R533-I535 HydrophobicContact CB-CD1 3.8Å; R533-I535 HydrophobicContact CB-CG1 3.95Å; R533-I535 PolarHBondContact O-N 2.79Å
536I91.4Very high88.8Confident15 Ų15113.1 Ų113.18%0.07754%0.538CS..SBendtrans-117.8131.9-179.3-79.2168.6000108.6L530 R531 D540 Y541L530-I536 HydrophobicContact CB-CB 4.31Å; L530-I536 HydrophobicContact CB-CD1 3.68Å; L530-I536 HydrophobicContact CB-CG1 4.22Å; L530-I536 HydrophobicContact CD1-CD1 3.49Å; L530-I536 VanDerWaalsContact CD1-CD1 3.49Å; L530-I536 HydrophobicContact CG-CD1 4.2Å; R531-I536 HydrophobicContact CG-CG2 4.24Å; I536-D540 HydrophobicContact CG2-CB 4.31Å; I536-Y541 HydrophobicContact CB-CD2 4.38Å; I536-Y541 HydrophobicContact CD1-CD2 3.34Å; I536-Y541 HydrophobicContact CD1-CE1 4.48Å; I536-Y541 HydrophobicContact CD1-CE2 3.22Å; I536-Y541 HydrophobicContact CD1-CG 4.04Å; I536-Y541 HydrophobicContact CG1-CD2 3.7Å; I536-Y541 HydrophobicContact CG1-CE2 3.66Å; I536-Y541 HydrophobicContact CG2-CD2 3.76Å; I536-Y541 HydrophobicContact CG2-CG 4.36Å
537R89.7Confident88.2Confident171 Ų171112.7 Ų112.765%0.64554%0.543SS*.  trans-87.6164.7171.8-51.3168-63.1176.35.4109.7N539 D540R537-N539 PolarHBondContact O-N 2.9Å; R537-D540 WeakPolarHBondContact CA-OD2 3.38Å; R537-D540 WeakPolarHBondContact CB-OD2 3.24Å; R537-D540 WeakPolarHBondContact CG-OD2 3.33Å; R537-D540 IonicContact CZ-OD1 3.25Å; R537-D540 IonicContact CZ-OD2 2.93Å; R537-D540 PolarHBondContact N-OD2 3.06Å; R537-D540 IonicContact NE-OD1 3.36Å; R537-D540 PolarHBondContact NE-OD1 2.78Å; R537-D540 IonicContact NE-OD2 3.77Å; R537-D540 PolarHBondContact NE-OD2 3.17Å; R537-D540 IonicContact NH2-OD1 3.73Å; R537-D540 PolarHBondContact NH2-OD1 3.39Å; R537-D540 IonicContact NH2-OD2 3.39Å; R537-D540 PolarHBondContact O-N 3.36Å
538F83.8Confident87.8Confident157 Ų157118 Ų11869%0.68957%0.57SS**THydrogen-bonded Turntrans-57.4-25.1-177.376.3-84.9000114.6
539N86.7Confident87.3Confident106 Ų106118.7 Ų118.757%0.56759%0.593SS**THydrogen-bonded Turntrans-90.4-15179.2-70.1-39.1000115.1R537R537-N539 PolarHBondContact O-N 2.9Å
540D88.6Confident86.7Confident68 Ų68123.4 Ų123.436%0.36461%0.609SS.*THydrogen-bonded Turntrans-82.2-24-168.8-56.1-39.6000112.5I536 R537I536-D540 HydrophobicContact CG2-CB 4.31Å; R537-D540 WeakPolarHBondContact CA-OD2 3.38Å; R537-D540 WeakPolarHBondContact CB-OD2 3.24Å; R537-D540 WeakPolarHBondContact CG-OD2 3.33Å; R537-D540 IonicContact CZ-OD1 3.25Å; R537-D540 IonicContact CZ-OD2 2.93Å; R537-D540 PolarHBondContact N-OD2 3.06Å; R537-D540 IonicContact NE-OD1 3.36Å; R537-D540 PolarHBondContact NE-OD1 2.78Å; R537-D540 IonicContact NE-OD2 3.77Å; R537-D540 PolarHBondContact NE-OD2 3.17Å; R537-D540 IonicContact NH2-OD1 3.73Å; R537-D540 PolarHBondContact NH2-OD1 3.39Å; R537-D540 IonicContact NH2-OD2 3.39Å; R537-D540 PolarHBondContact O-N 3.36Å
541Y85Confident86.1Confident118 Ų118127 Ų12746%0.46363%0.629SS.*  trans-132.2115175.8-78.7-106.9000109.5V527 R531 I536V527-Y541 HydrophobicContact CG2-CD1 4.46Å; R531-Y541 PolarHBondContact NH2-O 3.16Å; I536-Y541 HydrophobicContact CB-CD2 4.38Å; I536-Y541 HydrophobicContact CD1-CD2 3.34Å; I536-Y541 HydrophobicContact CD1-CE1 4.48Å; I536-Y541 HydrophobicContact CD1-CE2 3.22Å; I536-Y541 HydrophobicContact CD1-CG 4.04Å; I536-Y541 HydrophobicContact CG1-CD2 3.7Å; I536-Y541 HydrophobicContact CG1-CE2 3.66Å; I536-Y541 HydrophobicContact CG2-CD2 3.76Å; I536-Y541 HydrophobicContact CG2-CG 4.36Å
542V81.2Confident85.7Confident114 Ų114131.1 Ų131.169%0.69164%0.644SS**  trans-116.3124.3176.2-179.10000107.8
543E81.7Confident85.2Confident152 Ų152132.6 Ų132.671%0.7165%0.65SS**  trans-81.6127.7173-66178.1173.100108.7S545E543-S545 PolarHBondContact O-N 2.84Å
544V80.3Confident84.5Confident140 Ų140127.3 Ų127.385%0.84864%0.64SS**  trans-95.990.4177.2-177.50000107.8
545S79.6Confident83.9Confident99 Ų99124 Ų12469%0.69263%0.631SS**PPolyproline II helixtrans-73.5145.1166.5-55.20000110E543 A547E543-S545 PolarHBondContact O-N 2.84Å; S545-A547 PolarHBondContact O-N 3.19Å
546E83.8Confident83.6Confident199 Ų199122.2 Ų122.293%0.9362%0.619SS**PPolyproline II helixtrans-63.1125.5168.9-65-176.1179.300108.9
547A79.9Confident83.2Confident75 Ų75125.2 Ų125.262%0.6264%0.64SS**PPolyproline II helixtrans-99.1140.2176.500000109.2S545 A549S545-A547 PolarHBondContact O-N 3.19Å; A547-A549 PolarHBondContact O-N 3.44Å
548D84.3Confident82.9Confident144 Ų144121.4 Ų121.477%0.7763%0.626SS**PPolyproline II helixtrans-49.1128.8178.4-66.8-36.9000111.5Y550D548-Y550 VanDerWaalsContact O-CD1 3.24Å; D548-Y550 WeakPolarHBondContact O-CD1 3.29Å; D548-Y550 PolarHBondContact O-N 3.05Å
549A79.1Confident83Confident112 Ų112118.1 Ų118.193%0.92662%0.618SS**  trans-78.766.5-17900000111.4A547A547-A549 PolarHBondContact O-N 3.44Å
550Y82.2Confident83Confident152 Ų152122.6 Ų122.660%0.59663%0.627SS**  trans-81.8146.5170.269.3-88.5000111.3D548 R552D548-Y550 VanDerWaalsContact O-CD1 3.24Å; D548-Y550 WeakPolarHBondContact O-CD1 3.29Å; D548-Y550 PolarHBondContact O-N 3.05Å; Y550-R552 HydrophobicContact CD2-CG 4.24Å; Y550-R552 HydrophobicContact CE2-CG 3.81Å; Y550-R552 PolarHBondContact O-N 3.3Å
551D82.4Confident83.1Confident105 Ų105121.4 Ų121.456%0.56162%0.621SS**  trans-70.2105179.5-179.818.9000111.5R553 A554D551-R553 PolarHBondContact O-N 2.84Å; D551-R553 WeakPolarHBondContact OD1-CA 3.26Å; D551-R553 VanDerWaalsContact OD1-CB 3.29Å; D551-R553 WeakPolarHBondContact OD1-CB 3.42Å; D551-R553 PolarHBondContact OD1-N 3.29Å; D551-A554 HydrophobicContact CB-CB 4.1Å; D551-A554 VanDerWaalsContact O-CB 3.26Å; D551-A554 WeakPolarHBondContact O-CB 3.42Å; D551-A554 PolarHBondContact O-N 3.05Å; D551-A554 PolarHBondContact OD1-N 2.93Å; D551-A554 WeakPolarHBondContact OD2-CA 3.26Å; D551-A554 PolarHBondContact OD2-N 3.31Å
552R83.4Confident83.4Confident180 Ų180119.2 Ų119.268%0.67962%0.62SS**THydrogen-bonded Turntrans-71.9-13.5175.6-60.3-179.1-178.4174.22.2113.2Y550Y550-R552 HydrophobicContact CD2-CG 4.24Å; Y550-R552 HydrophobicContact CE2-CG 3.81Å; Y550-R552 PolarHBondContact O-N 3.3Å
553R84.1Confident83.9Confident218 Ų218120.8 Ų120.882%0.82362%0.624SS**THydrogen-bonded Turntrans-89.6-19.5176.9-59.4-177.167.8-160.9-0.5112.5D551 K556D551-R553 PolarHBondContact O-N 2.84Å; D551-R553 WeakPolarHBondContact OD1-CA 3.26Å; D551-R553 VanDerWaalsContact OD1-CB 3.29Å; D551-R553 WeakPolarHBondContact OD1-CB 3.42Å; D551-R553 PolarHBondContact OD1-N 3.29Å; R553-K556 PolarHBondContact O-NZ 3.16Å
554A80.3Confident84.4Confident47 Ų47121.5 Ų121.539%0.38862%0.62SS.*SBendtrans-45.8155.6179.200000113.7D551 K556D551-A554 HydrophobicContact CB-CB 4.1Å; D551-A554 VanDerWaalsContact O-CB 3.26Å; D551-A554 WeakPolarHBondContact O-CB 3.42Å; D551-A554 PolarHBondContact O-N 3.05Å; D551-A554 PolarHBondContact OD1-N 2.93Å; D551-A554 WeakPolarHBondContact OD2-CA 3.26Å; D551-A554 PolarHBondContact OD2-N 3.31Å; A554-K556 WeakPolarHBondContact O-CD 3.1Å; A554-K556 VanDerWaalsContact O-CE 3.25Å; A554-K556 WeakPolarHBondContact O-CE 3.35Å; A554-K556 PolarHBondContact O-NZ 3.49Å
555D81.3Confident85Confident122 Ų122117.9 Ų117.965%0.65260%0.596SS**  trans-68.2141.7-174.8-149.76.7000111.2P557D555-P557 WeakPolarHBondContact O-CD 3.25Å
556K86.4Confident85.7Confident73 Ų73117 Ų11732%0.31758%0.579SS.*  trans-99.595.3-166.5-71.383.8-174153.70108.4R553 A554 W558 T559R553-K556 PolarHBondContact O-NZ 3.16Å; A554-K556 WeakPolarHBondContact O-CD 3.1Å; A554-K556 VanDerWaalsContact O-CE 3.25Å; A554-K556 WeakPolarHBondContact O-CE 3.35Å; A554-K556 PolarHBondContact O-NZ 3.49Å; K556-W558 HydrophobicContact CB-CD2 3.95Å; K556-W558 HydrophobicContact CB-CE3 4.38Å; K556-W558 HydrophobicContact CB-CG 4.49Å; K556-W558 HydrophobicContact CB-CH2 4.2Å; K556-W558 HydrophobicContact CB-CZ2 3.74Å; K556-W558 HydrophobicContact CB-CZ3 4.5Å; K556-W558 HydrophobicContact CG-CH2 3.83Å; K556-W558 HydrophobicContact CG-CZ2 3.47Å; K556-W558 VanDerWaalsContact CG-CZ2 3.47Å; K556-W558 PolarHBondContact O-N 3.48Å; K556-T559 HydrophobicContact CB-CG2 3.91Å; K556-T559 WeakPolarHBondContact O-CB 3.46Å; K556-T559 PolarHBondContact O-N 3.05Å; K556-T559 PolarHBondContact O-OG1 3.42Å
557P82.8Confident86.1Confident78 Ų78108.9 Ų108.951%0.50655%0.546SS..G310 helixtrans-56.3-22.9-169.619-33.8000114.8D555 T559 R560D555-P557 WeakPolarHBondContact O-CD 3.25Å; P557-T559 PolarHBondContact O-N 2.84Å; P557-R560 PolarHBondContact O-N 2.95Å
558W84.4Confident86.7Confident91 Ų91108.1 Ų108.135%0.34553%0.531SS..G310 helixtrans-65.4-18.3173.365.574.8000114.8H25 M26 K556 R560 L561H25-W558 AromaticContact CE1-CE3 3.42Å; H25-W558 VanDerWaalsContact CE1-CE3 3.42Å; H25-W558 AromaticContact CE1-CZ3 3.26Å; H25-W558 WeakPolarHBondContact CE1-CZ3 3.43Å; H25-W558 AromaticContact ND1-CE3 3.76Å; H25-W558 AromaticContact ND1-CZ3 3.76Å; H25-W558 AromaticContact NE2-CZ3 3.63Å; M26-W558 HydrophobicContact CG-CB 4.08Å; M26-W558 HydrophobicContact CG-CD2 4.29Å; M26-W558 HydrophobicContact CG-CE3 3.86Å; M26-W558 HydrophobicContact CG-CG 4.43Å; M26-W558 HydrophobicContact SD-CB 3.66Å; M26-W558 HydrophobicContact SD-CG 4.49Å; K556-W558 HydrophobicContact CB-CD2 3.95Å; K556-W558 HydrophobicContact CB-CE3 4.38Å; K556-W558 HydrophobicContact CB-CG 4.49Å; K556-W558 HydrophobicContact CB-CH2 4.2Å; K556-W558 HydrophobicContact CB-CZ2 3.74Å; K556-W558 HydrophobicContact CB-CZ3 4.5Å; K556-W558 HydrophobicContact CG-CH2 3.83Å; K556-W558 HydrophobicContact CG-CZ2 3.47Å; K556-W558 VanDerWaalsContact CG-CZ2 3.47Å; K556-W558 PolarHBondContact O-N 3.48Å; W558-R560 VanDerWaalsContact C-N 3.31Å; W558-L561 VanDerWaalsContact O-CB 3.26Å; W558-L561 WeakPolarHBondContact O-CB 3.46Å
559T85.6Confident87.1Confident87 Ų87103.2 Ų103.253%0.53451%0.505SS..G310 helixtrans-72.4-26.9174.461.90000112.1K556 P557 L561K556-T559 HydrophobicContact CB-CG2 3.91Å; K556-T559 WeakPolarHBondContact O-CB 3.46Å; K556-T559 PolarHBondContact O-N 3.05Å; K556-T559 PolarHBondContact O-OG1 3.42Å; P557-T559 PolarHBondContact O-N 2.84Å; T559-L561 VanDerWaalsContact C-N 3.34Å
560R87.6Confident87.9Confident201 Ų201102.6 Ų102.676%0.75848%0.479SS*.G310 helixtrans-92.48-179.4-60.7-179.563.9129.10.9113.6P557 W558 T562P557-R560 PolarHBondContact O-N 2.95Å; W558-R560 VanDerWaalsContact C-N 3.31Å; R560-T562 PolarHBondContact O-N 2.89Å
561L89.8Confident88.4Confident42 Ų42101.8 Ų101.822%0.2248%0.478CS..  trans-71.3118.8-174.7-16471.5000111W558 T559 D565 K566 I569W558-L561 VanDerWaalsContact O-CB 3.26Å; W558-L561 WeakPolarHBondContact O-CB 3.46Å; T559-L561 VanDerWaalsContact C-N 3.34Å; L561-D565 HydrophobicContact CD1-CB 3.48Å; L561-D565 VanDerWaalsContact CD1-CB 3.48Å; L561-D565 HydrophobicContact CG-CB 3.79Å; L561-K566 HydrophobicContact CB-CG 4.49Å; L561-K566 HydrophobicContact CD2-CG 3.67Å; L561-K566 HydrophobicContact CG-CG 3.95Å; L561-K566 WeakPolarHBondContact O-CE 3.33Å; L561-K566 PolarHBondContact O-NZ 3.45Å; L561-I569 HydrophobicContact CD1-CD1 3.84Å; L561-I569 HydrophobicContact CD2-CD1 3.78Å; L561-I569 HydrophobicContact CG-CD1 4.3Å
562T91.2Very high89Confident72 Ų7299.7 Ų99.744%0.44247%0.465SS..  trans-69.5166.2-175.571.60000111.7R560 R564 D565 K566R560-T562 PolarHBondContact O-N 2.89Å; T562-R564 PolarHBondContact O-N 3.23Å; T562-R564 PolarHBondContact OG1-N 3.31Å; T562-D565 VanDerWaalsContact CB-OD2 3.27Å; T562-D565 WeakPolarHBondContact CB-OD2 3.5Å; T562-D565 WeakPolarHBondContact CG2-OD2 3.21Å; T562-D565 PolarHBondContact N-OD2 3.4Å; T562-D565 PolarHBondContact O-N 2.85Å; T562-D565 PolarHBondContact OG1-N 2.85Å; T562-D565 VanDerWaalsContact OG1-N 3.1Å; T562-D565 PolarHBondContact OG1-OD2 3.29Å; T562-K566 WeakPolarHBondContact O-CB 3.3Å; T562-K566 VanDerWaalsContact O-CG 3.3Å; T562-K566 WeakPolarHBondContact O-CG 3.26Å; T562-K566 PolarHBondContact O-N 3.15Å
563L91.6Very high89.5Confident148 Ų14893 Ų9378%0.77544%0.443SS*.Hα-helixtrans-61.2-33.1173.5-70.5173.7000111.9A567L563-A567 PolarHBondContact O-N 3.28Å; L563-A567 VanDerWaalsContact O-N 3.12Å
564R91.6Very high90Very high167 Ų16784.1 Ų84.163%0.6341%0.411SS*.Hα-helixtrans-64.7-54.2174.3-176.969.3-139.3-160.45.9110.8T562 K566 A567 D568T562-R564 PolarHBondContact O-N 3.23Å; T562-R564 PolarHBondContact OG1-N 3.31Å; R564-K566 VanDerWaalsContact C-N 3.25Å; R564-K566 PolarHBondContact O-N 2.92Å; R564-A567 WeakPolarHBondContact O-CA 3.31Å; R564-A567 WeakPolarHBondContact O-CB 3.37Å; R564-A567 PolarHBondContact O-N 3.03Å; R564-D568 WeakPolarHBondContact CG-OD2 3.15Å; R564-D568 IonicContact CZ-OD1 3.44Å; R564-D568 IonicContact CZ-OD2 2.8Å; R564-D568 IonicContact NE-OD1 3.59Å; R564-D568 PolarHBondContact NE-OD1 3.17Å; R564-D568 IonicContact NE-OD2 3.51Å; R564-D568 PolarHBondContact NE-OD2 3.05Å; R564-D568 IonicContact NH2-OD1 3.49Å; R564-D568 PolarHBondContact NH2-OD1 3.35Å; R564-D568 IonicContact NH2-OD2 3.14Å; R564-D568 PolarHBondContact O-N 3.4Å
565D94.1Very high90.6Very high64 Ų6487.3 Ų87.334%0.34242%0.418SS..Hα-helixtrans-57.6-39.8178.5-52.9-46.1000111.7L561 T562 A567 D568 I569L561-D565 HydrophobicContact CD1-CB 3.48Å; L561-D565 VanDerWaalsContact CD1-CB 3.48Å; L561-D565 HydrophobicContact CG-CB 3.79Å; T562-D565 VanDerWaalsContact CB-OD2 3.27Å; T562-D565 WeakPolarHBondContact CB-OD2 3.5Å; T562-D565 WeakPolarHBondContact CG2-OD2 3.21Å; T562-D565 PolarHBondContact N-OD2 3.4Å; T562-D565 PolarHBondContact O-N 2.85Å; T562-D565 PolarHBondContact OG1-N 2.85Å; T562-D565 VanDerWaalsContact OG1-N 3.1Å; T562-D565 PolarHBondContact OG1-OD2 3.29Å; D565-A567 VanDerWaalsContact C-N 3.33Å; D565-A567 PolarHBondContact O-N 3.35Å; D565-D568 PolarHBondContact O-N 2.9Å; D565-I569 WeakPolarHBondContact O-CB 3.35Å; D565-I569 WeakPolarHBondContact O-CD1 3.43Å; D565-I569 VanDerWaalsContact O-CG1 3.29Å; D565-I569 WeakPolarHBondContact O-CG1 3.48Å; D565-I569 PolarHBondContact O-N 2.81Å
566K93.5Very high91.2Very high80 Ų8085.5 Ų85.535%0.34841%0.405SS..Hα-helixtrans-62.3-37.6175.6-76.5165.7178.2152.30112.4L561 T562 R564 R570L561-K566 HydrophobicContact CB-CG 4.49Å; L561-K566 HydrophobicContact CD2-CG 3.67Å; L561-K566 HydrophobicContact CG-CG 3.95Å; L561-K566 WeakPolarHBondContact O-CE 3.33Å; L561-K566 PolarHBondContact O-NZ 3.45Å; T562-K566 WeakPolarHBondContact O-CB 3.3Å; T562-K566 VanDerWaalsContact O-CG 3.3Å; T562-K566 WeakPolarHBondContact O-CG 3.26Å; T562-K566 PolarHBondContact O-N 3.15Å; R564-K566 VanDerWaalsContact C-N 3.25Å; R564-K566 PolarHBondContact O-N 2.92Å; K566-R570 VanDerWaalsContact O-CG 3.3Å; K566-R570 WeakPolarHBondContact O-CG 3.21Å; K566-R570 PolarHBondContact O-N 3.49Å
567A92.5Very high91.5Very high28 Ų2884 Ų8423%0.23140%0.398CS..Hα-helixtrans-72.4-43.3175.800000111.4L563 R564 D565 I569 R570 K571L563-A567 PolarHBondContact O-N 3.28Å; L563-A567 VanDerWaalsContact O-N 3.12Å; R564-A567 WeakPolarHBondContact O-CA 3.31Å; R564-A567 WeakPolarHBondContact O-CB 3.37Å; R564-A567 PolarHBondContact O-N 3.03Å; D565-A567 VanDerWaalsContact C-N 3.33Å; D565-A567 PolarHBondContact O-N 3.35Å; A567-I569 VanDerWaalsContact C-N 3.35Å; A567-I569 PolarHBondContact O-N 2.96Å; A567-R570 WeakPolarHBondContact O-CB 3.42Å; A567-R570 PolarHBondContact O-N 3.12Å; A567-R570 VanDerWaalsContact O-N 3.12Å; A567-K571 PolarHBondContact O-N 3.48Å
568D93.6Very high91.7Very high59 Ų5982.2 Ų82.232%0.31639%0.39SS..Hα-helixtrans-64.5-38.4178.4-68-43.2000111.9R564 D565 K571 E572R564-D568 WeakPolarHBondContact CG-OD2 3.15Å; R564-D568 IonicContact CZ-OD1 3.44Å; R564-D568 IonicContact CZ-OD2 2.8Å; R564-D568 IonicContact NE-OD1 3.59Å; R564-D568 PolarHBondContact NE-OD1 3.17Å; R564-D568 IonicContact NE-OD2 3.51Å; R564-D568 PolarHBondContact NE-OD2 3.05Å; R564-D568 IonicContact NH2-OD1 3.49Å; R564-D568 PolarHBondContact NH2-OD1 3.35Å; R564-D568 IonicContact NH2-OD2 3.14Å; R564-D568 PolarHBondContact O-N 3.4Å; D565-D568 PolarHBondContact O-N 2.9Å; D568-K571 WeakPolarHBondContact O-CB 3.45Å; D568-K571 PolarHBondContact O-N 3.34Å; D568-E572 WeakPolarHBondContact O-CB 3.36Å; D568-E572 PolarHBondContact O-N 3.4Å
569I92.5Very high91.9Very high42 Ų4283.5 Ų83.522%0.21541%0.408CS..Hα-helixtrans-64.3-38.9171.6-73161.9000111.8L561 D565 A567 L573L561-I569 HydrophobicContact CD1-CD1 3.84Å; L561-I569 HydrophobicContact CD2-CD1 3.78Å; L561-I569 HydrophobicContact CG-CD1 4.3Å; D565-I569 WeakPolarHBondContact O-CB 3.35Å; D565-I569 WeakPolarHBondContact O-CD1 3.43Å; D565-I569 VanDerWaalsContact O-CG1 3.29Å; D565-I569 WeakPolarHBondContact O-CG1 3.48Å; D565-I569 PolarHBondContact O-N 2.81Å; A567-I569 VanDerWaalsContact C-N 3.35Å; A567-I569 PolarHBondContact O-N 2.96Å; I569-L573 HydrophobicContact CG2-CD1 3.84Å; I569-L573 HydrophobicContact CG2-CG 4.32Å; I569-L573 WeakPolarHBondContact O-CB 3.44Å; I569-L573 WeakPolarHBondContact O-CG 3.45Å; I569-L573 PolarHBondContact O-N 2.89Å
570R94.4Very high92.1Very high99 Ų9985 Ų8537%0.37441%0.409SS..Hα-helixtrans-64.2-41.4173.9-72.9172.3-159.5150.63.3111.8K566 A567 L573 N574 H594 K595K566-R570 VanDerWaalsContact O-CG 3.3Å; K566-R570 WeakPolarHBondContact O-CG 3.21Å; K566-R570 PolarHBondContact O-N 3.49Å; A567-R570 WeakPolarHBondContact O-CB 3.42Å; A567-R570 PolarHBondContact O-N 3.12Å; A567-R570 VanDerWaalsContact O-N 3.12Å; R570-L573 PolarHBondContact O-N 3.21Å; R570-N574 WeakPolarHBondContact O-CB 3.3Å; R570-N574 VanDerWaalsContact O-CG 3.3Å; R570-N574 PolarHBondContact O-N 3.44Å; R570-H594 HydrophobicContact CB-CB 4Å; R570-H594 HydrophobicContact CG-CB 3.91Å; R570-K595 WeakPolarHBondContact CD-O 3.33Å
571K94.2Very high92.2Very high135 Ų13578.2 Ų78.259%0.58739%0.386SS*.Hα-helixtrans-60.2-53.1176.3-174.6-171.3171.9-170.40110.2A567 D568 L573 N574 E575A567-K571 PolarHBondContact O-N 3.48Å; D568-K571 WeakPolarHBondContact O-CB 3.45Å; D568-K571 PolarHBondContact O-N 3.34Å; K571-L573 VanDerWaalsContact C-N 3.35Å; K571-L573 PolarHBondContact O-N 3.12Å; K571-N574 PolarHBondContact O-N 2.88Å; K571-N574 VanDerWaalsContact O-N 3.12Å; K571-E575 WeakPolarHBondContact O-CB 3.49Å; K571-E575 PolarHBondContact O-N 3.46Å
572E94.2Very high92Very high60 Ų6084 Ų8428%0.2842%0.418SS..Hα-helixtrans-58.9-42.2178.7176.2158.7-152.700112.5K19 D568 N574 E575 F576K19-E572 VanDerWaalsContact CD-OE1 3.23Å; K19-E572 WeakPolarHBondContact CD-OE1 3.45Å; K19-E572 WeakPolarHBondContact CE-OE1 3.29Å; K19-E572 IonicContact NZ-OE1 2.71Å; K19-E572 PolarHBondContact NZ-OE1 2.92Å; K19-E572 IonicContact NZ-OE2 2.76Å; K19-E572 PolarHBondContact NZ-OE2 3.47Å; K19-E572 VanDerWaalsContact NZ-OE2 3.14Å; D568-E572 WeakPolarHBondContact O-CB 3.36Å; D568-E572 PolarHBondContact O-N 3.4Å; E572-N574 PolarHBondContact O-N 2.97Å; E572-E575 PolarHBondContact O-N 3.25Å; E572-F576 WeakPolarHBondContact O-CB 3.43Å; E572-F576 PolarHBondContact O-N 3.38Å
573L94.6Very high91.7Very high41 Ų4182.2 Ų82.222%0.21541%0.407CS..Hα-helixtrans-65.3-36.4175-73.7171.7000113I569 R570 K571 K577I569-L573 HydrophobicContact CG2-CD1 3.84Å; I569-L573 HydrophobicContact CG2-CG 4.32Å; I569-L573 WeakPolarHBondContact O-CB 3.44Å; I569-L573 WeakPolarHBondContact O-CG 3.45Å; I569-L573 PolarHBondContact O-N 2.89Å; R570-L573 PolarHBondContact O-N 3.21Å; K571-L573 VanDerWaalsContact C-N 3.35Å; K571-L573 PolarHBondContact O-N 3.12Å; L573-K577 WeakPolarHBondContact O-CB 3.27Å; L573-K577 WeakPolarHBondContact O-CD 3.4Å; L573-K577 WeakPolarHBondContact O-CG 3.33Å; L573-K577 PolarHBondContact O-N 2.88Å
574N94Very high91.5Very high30 Ų3082.7 Ų82.716%0.1640%0.404CS..Hα-helixtrans-70.1-39.9175.6-77.2-10.3000111.7R570 K571 E572 K577 A578 Y593 H594R570-N574 WeakPolarHBondContact O-CB 3.3Å; R570-N574 VanDerWaalsContact O-CG 3.3Å; R570-N574 PolarHBondContact O-N 3.44Å; K571-N574 PolarHBondContact O-N 2.88Å; K571-N574 VanDerWaalsContact O-N 3.12Å; E572-N574 PolarHBondContact O-N 2.97Å; N574-K577 PolarHBondContact O-N 2.63Å; N574-A578 WeakPolarHBondContact O-CB 3.23Å; N574-A578 PolarHBondContact O-N 3.42Å; N574-Y593 HydrophobicContact CB-CD1 3.99Å; N574-H594 PolarHBondContact ND2-O 3.1Å; N574-H594 PolarHBondContact OD1-CD2 3.14Å; N574-H594 PolarHBondContact OD1-N 3.12Å
575E93.6Very high91.3Very high114 Ų11479.1 Ų79.153%0.53341%0.411SS..Hα-helixtrans-65.9-42.7178.8-165.4157.2-160.900111.1K571 E572 A578 T579K571-E575 WeakPolarHBondContact O-CB 3.49Å; K571-E575 PolarHBondContact O-N 3.46Å; E572-E575 PolarHBondContact O-N 3.25Å; E575-A578 PolarHBondContact O-N 3.05Å; E575-T579 WeakPolarHBondContact O-CB 3.21Å; E575-T579 PolarHBondContact O-N 2.99Å; E575-T579 VanDerWaalsContact O-N 3.09Å; E575-T579 PolarHBondContact O-OG1 2.97Å
576F93.4Very high91Very high84 Ų8484.3 Ų84.337%0.36843%0.433SS..Hα-helixtrans-59.3-50.4169.6-179.5-94.6000112.2E572 A578 T579 E580 M581E572-F576 WeakPolarHBondContact O-CB 3.43Å; E572-F576 PolarHBondContact O-N 3.38Å; F576-A578 PolarHBondContact O-N 3.06Å; F576-T579 PolarHBondContact O-N 2.95Å; F576-E580 HydrophobicContact CD2-CB 3.73Å; F576-E580 HydrophobicContact CD2-CG 3.97Å; F576-E580 WeakPolarHBondContact CD2-OE2 3.35Å; F576-E580 HydrophobicContact CE2-CB 3.87Å; F576-E580 VanDerWaalsContact CE2-CD 3.44Å; F576-E580 HydrophobicContact CE2-CG 3.67Å; F576-E580 HydrophobicContact CG-CB 4.47Å; F576-E580 PolarHBondContact O-N 3.36Å; F576-M581 HydrophobicContact CD1-CB 4.07Å; F576-M581 HydrophobicContact CE1-CB 3.81Å; F576-M581 HydrophobicContact CE1-CG 4.2Å; F576-M581 HydrophobicContact CZ-CB 4.47Å; F576-M581 PolarHBondContact O-N 2.91Å
577K91.5Very high90.8Very high42 Ų4283 Ų8318%0.18343%0.434CS..Hα-helixtrans-59.7-29.6178-77.9170.9176.5-1800114L573 N574 M581 T591 R592 Y593 H594L573-K577 WeakPolarHBondContact O-CB 3.27Å; L573-K577 WeakPolarHBondContact O-CD 3.4Å; L573-K577 WeakPolarHBondContact O-CG 3.33Å; L573-K577 PolarHBondContact O-N 2.88Å; N574-K577 PolarHBondContact O-N 2.63Å; K577-M581 HydrophobicContact CB-CE 4.02Å; K577-M581 HydrophobicContact CG-CE 3.92Å; K577-M581 HydrophobicContact CG-SD 4.06Å; K577-T591 HydrophobicContact CB-CG2 4.05Å; K577-T591 HydrophobicContact CD-CG2 4.42Å; K577-T591 HydrophobicContact CG-CG2 4.34Å; K577-R592 PolarHBondContact NZ-O 3.37Å; K577-Y593 HydrophobicContact CB-CD1 4.27Å; K577-Y593 HydrophobicContact CB-CE1 3.77Å; K577-H594 PolarHBondContact NZ-CD2 3.41Å; K577-H594 PolarHBondContact NZ-NE2 3.36Å
578A88Confident90.7Very high40 Ų4087.9 Ų87.933%0.33145%0.446SS..Hα-helixtrans-83.4-33.8-179.600000113.2N574 E575 F576 R588 Y593N574-A578 WeakPolarHBondContact O-CB 3.23Å; N574-A578 PolarHBondContact O-N 3.42Å; E575-A578 PolarHBondContact O-N 3.05Å; F576-A578 PolarHBondContact O-N 3.06Å; A578-R588 PolarHBondContact O-NH2 2.92Å; A578-Y593 HydrophobicContact CB-CE1 4.2Å
579T88.8Confident90.5Very high118 Ų11892.1 Ų92.172%0.72446%0.464SS*.Hα-helixtrans-118.2-43.1-161.6-380000114.3E575 F576E575-T579 WeakPolarHBondContact O-CB 3.21Å; E575-T579 PolarHBondContact O-N 2.99Å; E575-T579 VanDerWaalsContact O-N 3.09Å; E575-T579 PolarHBondContact O-OG1 2.97Å; F576-T579 PolarHBondContact O-N 2.95Å
580E90.2Very high90.3Very high118 Ų11896.7 Ų96.755%0.55148%0.484SS*.THydrogen-bonded Turntrans-109.7-27.7-169.3-171.9178.9168.500112.5Q20 F576 D582Q20-E580 PolarHBondContact NE2-OE1 2.93Å; F576-E580 HydrophobicContact CD2-CB 3.73Å; F576-E580 HydrophobicContact CD2-CG 3.97Å; F576-E580 WeakPolarHBondContact CD2-OE2 3.35Å; F576-E580 HydrophobicContact CE2-CB 3.87Å; F576-E580 VanDerWaalsContact CE2-CD 3.44Å; F576-E580 HydrophobicContact CE2-CG 3.67Å; F576-E580 HydrophobicContact CG-CB 4.47Å; F576-E580 PolarHBondContact O-N 3.36Å; E580-D582 PolarHBondContact O-N 3.49Å; E580-D582 VanDerWaalsContact O-N 3.15Å
581M88.6Confident90.1Very high59 Ų5993.1 Ų93.129%0.29147%0.473SS..SBendtrans-71.1108.7176.8-170.4-1806800110.5F576 K577 V583 T591F576-M581 HydrophobicContact CD1-CB 4.07Å; F576-M581 HydrophobicContact CE1-CB 3.81Å; F576-M581 HydrophobicContact CE1-CG 4.2Å; F576-M581 HydrophobicContact CZ-CB 4.47Å; F576-M581 PolarHBondContact O-N 2.91Å; K577-M581 HydrophobicContact CB-CE 4.02Å; K577-M581 HydrophobicContact CG-CE 3.92Å; K577-M581 HydrophobicContact CG-SD 4.06Å; M581-V583 HydrophobicContact CE-CG2 3.41Å; M581-V583 VanDerWaalsContact CE-CG2 3.41Å; M581-V583 HydrophobicContact CG-CG2 3.97Å; M581-V583 PolarHBondContact O-N 3.01Å; M581-V583 HydrophobicContact SD-CG2 4.32Å; M581-T591 HydrophobicContact CE-CG2 3.45Å; M581-T591 VanDerWaalsContact CE-CG2 3.45Å
582D85.8Confident90Very high164 Ų16497.1 Ų97.188%0.87749%0.485SS*.  trans-71.9115.4179-158.66.5000110.5E580E580-D582 PolarHBondContact O-N 3.49Å; E580-D582 VanDerWaalsContact O-N 3.15Å
583V86.3Confident89.9Confident34 Ų3499 Ų9921%0.20649%0.49CS..  trans-134126-175.3-179.70000108.9M581 A585M581-V583 HydrophobicContact CE-CG2 3.41Å; M581-V583 VanDerWaalsContact CE-CG2 3.41Å; M581-V583 HydrophobicContact CG-CG2 3.97Å; M581-V583 PolarHBondContact O-N 3.01Å; M581-V583 HydrophobicContact SD-CG2 4.32Å; V583-A585 PolarHBondContact O-N 3.24Å
584H86.7Confident89.8Confident158 Ų158100.6 Ų100.673%0.73150%0.496SS*.  trans-50.8135.3174.9-62.5-52.3000111.5E586 S587 R588H584-E586 VanDerWaalsContact C-N 3.28Å; H584-E586 PolarHBondContact O-N 3.35Å; H584-E586 VanDerWaalsContact O-N 3.17Å; H584-S587 CarbonylContact O-C 3.43Å; H584-S587 WeakPolarHBondContact O-CA 3.38Å; H584-S587 PolarHBondContact O-N 3.3Å; H584-R588 PolarHBondContact O-N 3.09Å; H584-R588 VanDerWaalsContact O-N 3.16Å
585A87.3Confident89.5Confident92 Ų92107.8 Ų107.876%0.7653%0.526SS*.G310 helixtrans-51.4-45.2-17300000113V583 S587 R588V583-A585 PolarHBondContact O-N 3.24Å; A585-S587 VanDerWaalsContact C-N 3.25Å; A585-S587 PolarHBondContact O-N 2.82Å; A585-R588 WeakPolarHBondContact O-CB 3.39Å; A585-R588 PolarHBondContact O-N 2.7Å
586E88.3Confident88.7Confident174 Ų174110 Ų11081%0.81355%0.55SS*.G310 helixtrans-60.8-32.7177.3-60.2-178.7172.400112.9H584 H589H584-E586 VanDerWaalsContact C-N 3.28Å; H584-E586 PolarHBondContact O-N 3.35Å; H584-E586 VanDerWaalsContact O-N 3.17Å; E586-H589 PolarHBondContact O-CE1 2.71Å; E586-H589 PolarHBondContact O-ND1 2.98Å
587S89.4Confident88.5Confident52 Ų52111.3 Ų111.336%0.36456%0.559SS.*G310 helixtrans-91.6-5.8-177-68.50000114.2H584 A585 H589 H590H584-S587 CarbonylContact O-C 3.43Å; H584-S587 WeakPolarHBondContact O-CA 3.38Å; H584-S587 PolarHBondContact O-N 3.3Å; A585-S587 VanDerWaalsContact C-N 3.25Å; A585-S587 PolarHBondContact O-N 2.82Å; S587-H589 PolarHBondContact O-N 3.29Å; S587-H590 WeakPolarHBondContact O-CB 3.5Å; S587-H590 PolarHBondContact O-N 2.93Å
588R89.1Confident88.3Confident130 Ų130114.9 Ų114.949%0.49158%0.579SS.*G310 helixtrans-55-32.5-174.5-165174.8-177.493.63.8113.1A578 H584 A585 H590 T591A578-R588 PolarHBondContact O-NH2 2.92Å; H584-R588 PolarHBondContact O-N 3.09Å; H584-R588 VanDerWaalsContact O-N 3.16Å; A585-R588 WeakPolarHBondContact O-CB 3.39Å; A585-R588 PolarHBondContact O-N 2.7Å; R588-H590 VanDerWaalsContact C-N 3.28Å; R588-H590 PolarHBondContact O-N 3.37Å; R588-T591 VanDerWaalsContact O-CB 3.31Å; R588-T591 WeakPolarHBondContact O-CB 3.44Å; R588-T591 PolarHBondContact O-N 2.9Å; R588-T591 PolarHBondContact O-OG1 2.91Å
589H89.6Confident88.3Confident149 Ų149119.1 Ų119.169%0.6959%0.593SS**G310 helixtrans-68-18.7178.170.1-88.9000114.9E586 S587 T591E586-H589 PolarHBondContact O-CE1 2.71Å; E586-H589 PolarHBondContact O-ND1 2.98Å; S587-H589 PolarHBondContact O-N 3.29Å; H589-T591 VanDerWaalsContact C-N 3.27Å; H589-T591 PolarHBondContact O-N 2.93Å
590H89.6Confident88.3Confident137 Ų137119.1 Ų119.163%0.63459%0.585SS**G310 helixtrans-78.9-8.4173.6-65.696.7000113.2S587 R588 R592S587-H590 WeakPolarHBondContact O-CB 3.5Å; S587-H590 PolarHBondContact O-N 2.93Å; R588-H590 VanDerWaalsContact C-N 3.28Å; R588-H590 PolarHBondContact O-N 3.37Å; H590-R592 PolarHBondContact O-N 2.8Å
591T88.3Confident88.2Confident24 Ų24119.2 Ų119.215%0.14759%0.587CS.*  trans-72.8100.8-177.5-58.10000111.2K577 M581 R588 H589 Y593K577-T591 HydrophobicContact CB-CG2 4.05Å; K577-T591 HydrophobicContact CD-CG2 4.42Å; K577-T591 HydrophobicContact CG-CG2 4.34Å; M581-T591 HydrophobicContact CE-CG2 3.45Å; M581-T591 VanDerWaalsContact CE-CG2 3.45Å; R588-T591 VanDerWaalsContact O-CB 3.31Å; R588-T591 WeakPolarHBondContact O-CB 3.44Å; R588-T591 PolarHBondContact O-N 2.9Å; R588-T591 PolarHBondContact O-OG1 2.91Å; H589-T591 VanDerWaalsContact C-N 3.27Å; H589-T591 PolarHBondContact O-N 2.93Å; T591-Y593 HydrophobicContact CG2-CE2 4.12Å; T591-Y593 WeakPolarHBondContact O-CD2 3.48Å; T591-Y593 WeakPolarHBondContact O-CE2 3.44Å; T591-Y593 PolarHBondContact O-N 3.44Å
592R92.1Very high88.2Confident219 Ų219123.2 Ų123.283%0.82661%0.607SS**  trans-80.4114.3178.6-170.1179.2-179.5-161.22.8112.1K577 H590K577-R592 PolarHBondContact NZ-O 3.37Å; H590-R592 PolarHBondContact O-N 2.8Å
593Y92.2Very high88.3Confident101 Ų101120.3 Ų120.340%0.39659%0.587SS.*PPolyproline II helixtrans-78.6152.2171.6-64.3-84.2000112.1N574 K577 A578 T591N574-Y593 HydrophobicContact CB-CD1 3.99Å; K577-Y593 HydrophobicContact CB-CD1 4.27Å; K577-Y593 HydrophobicContact CB-CE1 3.77Å; A578-Y593 HydrophobicContact CB-CE1 4.2Å; T591-Y593 HydrophobicContact CG2-CE2 4.12Å; T591-Y593 WeakPolarHBondContact O-CD2 3.48Å; T591-Y593 WeakPolarHBondContact O-CE2 3.44Å; T591-Y593 PolarHBondContact O-N 3.44Å
594H92.4Very high88.5Confident73 Ų73126.9 Ų126.934%0.33862%0.617SS.*PPolyproline II helixtrans-75.3146.3168.9-59.5-79.9000109.5R570 N574 K577R570-H594 HydrophobicContact CB-CB 4Å; R570-H594 HydrophobicContact CG-CB 3.91Å; N574-H594 PolarHBondContact ND2-O 3.1Å; N574-H594 PolarHBondContact OD1-CD2 3.14Å; N574-H594 PolarHBondContact OD1-N 3.12Å; K577-H594 PolarHBondContact NZ-CD2 3.41Å; K577-H594 PolarHBondContact NZ-NE2 3.36Å
595K88.9Confident88.6Confident181 Ų181124.3 Ų124.379%0.78761%0.607SS**PPolyproline II helixtrans-60.3139169.7-65.9-171.1176.7-172.60109.3R570R570-K595 WeakPolarHBondContact CD-O 3.33Å
596P76.5Confident88.8Confident160 Ų160127.3 Ų127.3100%1.03959%0.593SS**  trans-49.50170.3-26.535.5000112.4

Retrieved 596 of 596 residues in 172.8 ms (Link to these results)