A0A077ZHV4_TRITR Loading...

BUD13 homolog

AlphaFold DB , UniProt , Accession A0A077ZHV4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 401 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M43.4Very low49.9Very low245 Ų245180.1 Ų180.1100%1.20788%0.877SS**  000-71.4-158.6164.500110
2N48.4Very low49.6Very low170 Ų170182 Ų18291%0.90987%0.867SS**  084.60-98.2-11.6000109.7
3T44.6Very low49.7Very low155 Ų155180.8 Ų180.895%0.95186%0.86SS**  trans-83.3102.1155.544.80000109.8
4G56.9Low49.2Very low65 Ų65179.9 Ų179.967%0.6786%0.863SS**  trans-126.2104.6168.400000110.8
5Q54.6Low49.3Very low185 Ų185174.3 Ų174.386%0.86485%0.85SS**  94.8095.4-76.7-132.8-2500110.2
6S54.9Low48.9Very low111 Ų111178.8 Ų178.878%0.77686%0.855SS**  093.5071.90000109.8
7E45.4Very low48.8Very low202 Ų202177.4 Ų177.494%0.94485%0.851SS**  trans-44.197.2136.4-117.5165.5-176.800111.7
8R53.6Low48.6Very low204 Ų204174.2 Ų174.277%0.7785%0.851SS**  trans-142.10164.9-131.2179.2174.5-174.7-1109.4
9R52.9Low48.5Very low214 Ų214167.9 Ų167.981%0.80884%0.835SS**  0920-90.8-177.3158.3167.90.4109.7
10K46.9Very low48.4Very low211 Ų211171.5 Ų171.592%0.91784%0.839SS**  trans-74.194.2154.1-91.9-179.3-176.9-178.90110.6
11R47Very low48.1Very low219 Ų219172.6 Ų172.683%0.82684%0.84SS**  trans-152.3111.3152.9-77.2-164.7168.5-176.30.5109.5
12R46.5Very low48.3Very low203 Ų203169.4 Ų169.477%0.76682%0.822SS**  137.70116.3-75-168.4164-173.61.2109.4
13H51Low48.2Very low167 Ų167168.9 Ų168.977%0.77382%0.818SS**  085.40-95.9-66.8000109.4
14D42.3Very low47.8Very low167 Ų167170.6 Ų170.689%0.89381%0.813SS**  trans-57.981.4146.5-90-11.3000111.1
15S50.9Low47.8Very low96 Ų96173.1 Ų173.167%0.67182%0.815SS**  trans-109.591.6156.9580000109.9
16R42.7Very low47.7Very low247 Ų247168.5 Ų168.593%0.93280%0.801SS**  trans-3378.5141.8-88.8-177.2-173.7174.8-1111.4
17I47.5Very low47.2Very low154 Ų154171.3 Ų171.379%0.7980%0.802SS**  trans-73.680.9162.5-68.3162.5000109.1G19I17-G19 VanDerWaalsContact C-N 3.29Å
18S45.4Very low47.5Very low121 Ų121168.7 Ų168.785%0.84679%0.793SS**  trans-460148.586.50000111.5
19G46.1Very low47.1Very low54 Ų54167.5 Ų167.556%0.55779%0.793SS**  080.2000000110.7I17 F21I17-G19 VanDerWaalsContact C-N 3.29Å; G19-F21 PolarHBondContact O-N 3.49Å
20R46.4Very low46.5Very low240 Ų240164.6 Ų164.691%0.90679%0.793SS**  trans-18.584.8145.3-135.1177.6-176.8166-0.4111.6
21F42.8Very low46.5Very low195 Ų195160.4 Ų160.486%0.85579%0.785SS**  trans-70.676.2167.1-106.4-89.4000110G19 L23G19-F21 PolarHBondContact O-N 3.49Å; F21-L23 VanDerWaalsContact C-N 3.33Å; F21-L23 PolarHBondContact O-N 3.29Å
22E46.9Very low46.2Very low178 Ų178157.6 Ų157.683%0.83279%0.786SS**  trans-5688159.8-92.5-163177.400111.2F24E22-F24 PolarHBondContact O-N 2.99Å
23L47.1Very low45.9Very low158 Ų158156 Ų15683%0.82779%0.785SS**  trans-44.786.8158-70.6172.7000110.9F21F21-L23 VanDerWaalsContact C-N 3.33Å; F21-L23 PolarHBondContact O-N 3.29Å
24F36.7Very low45.5Very low192 Ų192153.1 Ų153.184%0.84278%0.783SS**  trans-63.188.2161.8-168.8-106.6000110.8E22 P26E22-F24 PolarHBondContact O-N 2.99Å; F24-P26 HydrophobicContact CE1-CB 4.44Å
25V56Low45.8Very low117 Ų117151.7 Ų151.771%0.70978%0.775SS**  trans-70.8103.5165.1-175.60000108.9E27V25-E27 PolarHBondContact O-N 3Å
26P52.1Low45.4Very low89 Ų89155 Ų15558%0.57879%0.786SS**  trans-71100.9171.727.7-22.6000111.6F24 I28F24-P26 HydrophobicContact CE1-CB 4.44Å; P26-I28 VanDerWaalsContact C-N 3.32Å; P26-I28 PolarHBondContact O-N 2.61Å
27E44.1Very low45.4Very low170 Ų170146.6 Ų146.679%0.79478%0.775SS**  trans-39.187158.7-88-177.6179.800111.3V25V25-E27 PolarHBondContact O-N 3Å
28I52.1Low45Very low147 Ų147144.8 Ų144.875%0.75478%0.777SS**  trans-67.889.6161.6-60.3170.7000108.9P26 L30P26-I28 VanDerWaalsContact C-N 3.32Å; P26-I28 PolarHBondContact O-N 2.61Å; I28-L30 PolarHBondContact O-N 1.97Å
29K46.1Very low45Very low179 Ų179149 Ų14978%0.77878%0.779SS**  trans-58.188.8161.6-83.1-175.5-174.9174.30111.1T31K29-T31 VanDerWaalsContact C-N 3.32Å; K29-T31 PolarHBondContact O-N 3.23Å
30L41Very low44.7Very low153 Ų153154.9 Ų154.980%0.80179%0.792SS**  trans-65.783.4161.2-78.9172000110.2I28 L32I28-L30 PolarHBondContact O-N 1.97Å; L30-L32 VanDerWaalsContact C-N 3.3Å; L30-L32 PolarHBondContact O-N 3.4Å
31T45.1Very low44.8Very low123 Ų123151.1 Ų151.176%0.75579%0.79SS**  trans-61.986.6162.550.80000110.6K29 F33K29-T31 VanDerWaalsContact C-N 3.32Å; K29-T31 PolarHBondContact O-N 3.23Å; T31-F33 VanDerWaalsContact C-N 3.29Å; T31-F33 PolarHBondContact O-N 3.33Å
32L41.8Very low44.7Very low160 Ų160150.7 Ų150.784%0.83879%0.791SS**  trans-54.580.6154.7-83.2161.1000110.7L30 S34L30-L32 VanDerWaalsContact C-N 3.3Å; L30-L32 PolarHBondContact O-N 3.4Å; L32-S34 VanDerWaalsContact C-N 3.26Å; L32-S34 PolarHBondContact O-N 3.02Å
33F40.9Very low44.9Very low170 Ų170147.5 Ų147.575%0.74679%0.788SS**  trans-56.482161.7-120.3-96.1000111T31T31-F33 VanDerWaalsContact C-N 3.29Å; T31-F33 PolarHBondContact O-N 3.33Å
34S40.7Very low44.5Very low105 Ų105147.4 Ų147.473%0.73479%0.789SS**  trans-68.381.1158-65.20000110.6L32L32-S34 VanDerWaalsContact C-N 3.26Å; L32-S34 PolarHBondContact O-N 3.02Å
35D50Low44.7Very low137 Ų137148.3 Ų148.373%0.73379%0.792SS**  trans-81.686164.4-95.8-13.6000110.3
36D41.1Very low44.2Very low167 Ų167149.9 Ų149.989%0.89379%0.792SS**  trans-68.884.4149.2-92.5-10.3000110.9
37G43.8Very low43.8Very low69 Ų69152.8 Ų152.871%0.71180%0.798SS**  trans-140.489.715900000110.4
38S38.4Very low43.8Very low117 Ų117152.8 Ų152.882%0.81880%0.802SS**  -5.593.7127.555.50000111.8
39K47Very low43.5Very low209 Ų209151.1 Ų151.191%0.90980%0.804SS**  trans-159.696.6146.8-92.8-175.5-178.5157.40109.3
40E39.4Very low43.5Very low177 Ų177147.9 Ų147.983%0.82780%0.804SS**  9.995124.5-61.2-136169.700111.5
41D48.4Very low43.7Very low161 Ų161146.1 Ų146.186%0.86180%0.804SS**  trans-159.296.4144-72.5-25.3000109.1
42E39.9Very low43.4Very low187 Ų187152.2 Ų152.287%0.87481%0.813SS**  -7.497129-68.8-104.1160.800111.6
43S50.4Low43.5Very low110 Ų110152 Ų15277%0.76981%0.811SS**  trans-171.3100.8142.559.90000109.2
44N40.2Very low43.6Very low157 Ų157148.8 Ų148.884%0.8481%0.81SS**  57.894.5110.5-83.9-17.6000111.2
45F40.1Very low43.9Very low210 Ų210150.4 Ų150.492%0.92182%0.815SS**  trans-15696.8144.4-157.8-98.8000109
46E45.9Very low43.6Very low150 Ų150151.7 Ų151.770%0.70182%0.821SS**  trans-14.3110132.2-73.7-160.617500111.8
47H43.6Very low43.8Very low150 Ų150149.3 Ų149.369%0.69482%0.817SS**  137.8100.8115.8-85.6-78.7000109.4
48L44.8Very low43.8Very low170 Ų170150 Ų15089%0.8982%0.824SS**  166.40123.3-71.5167.2000109
49S45Very low43.9Very low112 Ų112149.9 Ų149.978%0.78382%0.824SS**  000136.80000111.1
50S45.6Very low43.9Very low111 Ų111145.3 Ų145.378%0.77682%0.818SS**  0104.70-1190000109.8
51S45.4Very low44Very low116 Ų116141.9 Ų141.981%0.81181%0.813SS**  151.286.8111.4-34.10000109.1
52R38.7Very low43.6Very low252 Ų252139.1 Ų139.195%0.95181%0.813SS**  trans-65.495.6156-124.6177.2177.7158.20.6111.1
53I45Very low44.1Very low155 Ų155138.4 Ų138.480%0.79581%0.81SS**  trans-68.194.2152.8-66.3170000109V55I53-V55 HydrophobicContact CG2-CG2 4.35Å
54S43Very low43.6Very low103 Ų103142 Ų14272%0.7282%0.815SS**  trans-6198.3159.348.70000111.3
55V47.2Very low43.9Very low138 Ų138141.1 Ų141.184%0.83681%0.809SS**  trans-88.389157.6-1590000108.4I53I53-V55 HydrophobicContact CG2-CG2 4.35Å
56L43Very low44.1Very low165 Ų165136.8 Ų136.886%0.86480%0.799SS**  trans-47.190.9152.4-71.5166.6000111.1
57S44.5Very low44.1Very low116 Ų116135.5 Ų135.581%0.81180%0.802SS**  trans-75.992.4151.867.10000110.7
58G44.5Very low44.1Very low83 Ų83134.3 Ų134.386%0.85681%0.805SS**  trans-62.693.8158.900000111.6
59S40.7Very low44.2Very low115 Ų115132.2 Ų132.280%0.80480%0.799SS**  trans-65.2105.3146.2710000111.2
60S46.4Very low44.4Very low114 Ų114132.2 Ų132.280%0.79780%0.796SS**  trans176.9107.2143.3172.40000109.3
61S41.9Very low44.2Very low104 Ų104131.6 Ų131.673%0.72779%0.792SS**  120.396.7104-165.60000109.8
62A40.1Very low44.1Very low104 Ų104135.3 Ų135.386%0.8679%0.793SS**  4.985.5128.600000111.5
63E50.1Low44.5Very low171 Ų171134.1 Ų134.180%0.79979%0.789SS**  trans-115.998.3158.4-75-172.9173.600109.7
64E41Very low44.5Very low186 Ų186133.2 Ų133.287%0.86979%0.786SS**  trans-15.385.5139.4-139.3178.8177.500111.9
65I46.1Very low44.7Very low139 Ų139134.8 Ų134.871%0.71379%0.786SS**  trans-110.297.3166.2-60.2169.4000108.2V67I65-V67 HydrophobicContact CG2-CG2 3.93Å
66T44.5Very low44.9Very low119 Ų119135.4 Ų135.473%0.7379%0.785SS**  trans-50.795.9155.251.20000110.9
67V44.2Very low45.2Very low123 Ų123132.6 Ų132.675%0.74578%0.776SS**  trans-101.396.4168179.20000108.2I65 V69I65-V67 HydrophobicContact CG2-CG2 3.93Å; V67-V69 HydrophobicContact CG1-CG2 4.47Å
68T45Very low45.4Very low125 Ų125134.1 Ų134.177%0.76778%0.775SS**  trans-67101.3157-45.50000110.7
69V46.8Very low45.6Very low125 Ų125136.6 Ų136.676%0.75877%0.774SS**  trans-76.40158.4-174.10000108.7V67V67-V69 HydrophobicContact CG1-CG2 4.47Å
70P48.5Very low45.6Very low113 Ų113135.4 Ų135.473%0.73477%0.77SS**  00033.8-5.9000111.7
71S42.7Very low45.8Very low98 Ų98136.5 Ų136.569%0.68577%0.768SS**  0107.30-172.70000110.5
72K42.2Very low45.7Very low193 Ų193142.4 Ų142.484%0.83977%0.774SS**  33.6105.4117.7-89.7-174.4-177.2173.30111.4
73R48.2Very low46Very low228 Ų228145.8 Ų145.886%0.8678%0.777SS**  trans-173.80142.7-79.5-170.2-166.1115.60.1109.4
74D43.8Very low45.8Very low135 Ų135141.1 Ų141.172%0.72277%0.767SS**  000-69.4-36.2000110.8
75D46.5Very low46.2Very low136 Ų136139 Ų13973%0.72776%0.762SS**  000-73.6-48.1000109.4
76D51.5Low46.1Very low151 Ų151141.4 Ų141.481%0.80777%0.77SS**  01450-74.6-32.7000109.7
77P50.9Low46Very low106 Ų106140.7 Ų140.769%0.68877%0.77SS**  trans-102.60-166.934.5-6.8000111.8
78D47.1Very low46.2Very low149 Ų149141.3 Ų141.380%0.79777%0.773SS**  000-112.1-3.4000109.3
79V48.8Very low46.2Very low135 Ų135143.1 Ų143.182%0.81877%0.773SS**  090.10177.20000108.1
80A40.9Very low46.2Very low89 Ų89145.4 Ų145.474%0.73678%0.775SS**  -2.1101.8115.900000111.5
81N50.4Low45.7Very low138 Ų138145.3 Ų145.374%0.73878%0.777SS**  trans-170.3105.9146.4-96.9-6.6000109.8
82R40.6Very low46Very low227 Ų227146.2 Ų146.286%0.85778%0.783SS**  60.7093.9-95-176.5-175.7168.4-0.8110.8
83L45.8Very low46.2Very low176 Ų176146.6 Ų146.692%0.92179%0.788SS**  000-85.1160000109.1
84A46.2Very low45.7Very low73 Ų73138.7 Ų138.760%0.60378%0.778SS**  0110.3000000111.1
85N49.9Very low45.8Very low141 Ų141137.1 Ų137.175%0.75478%0.777SS**  129.3106.4109.9-67.6-28.8000109.9
86H44.4Very low45.6Very low189 Ų189141 Ų14188%0.87578%0.784SS**  -1780125.1-87.7-8.1000109.4
87S42.3Very low45.2Very low104 Ų104142.1 Ų142.173%0.72778%0.783SS**  0109.70178.90000111.4
88V47.2Very low44.7Very low136 Ų136146.4 Ų146.482%0.82479%0.794SS**  178.90124.5173.90000107.8
89H45Very low44.4Very low163 Ų163143.2 Ų143.276%0.75579%0.789SS**  0114.80-96.2-59.9000111.4
90Q46.8Very low44Very low173 Ų173141.1 Ų141.181%0.80879%0.786SS**  154.7106.6108.1-76.6-168.11600109.5
91S37.8Very low44Very low111 Ų111143.6 Ų143.678%0.77679%0.785SS**  60.9101103.831.70000110.8
92S50.5Low43.8Very low117 Ų117142.6 Ų142.682%0.81878%0.784SS**  trans-165.199135.566.50000109.3
93E45.9Very low43.8Very low201 Ų201142.8 Ų142.894%0.93979%0.785SS**  41.486.7124.6-72.9-171175.300111.1
94G36.8Very low43.8Very low63 Ų63143 Ų14365%0.64978%0.778SS**  trans-40.20147.200000112.4
95S47.2Very low43.6Very low101 Ų101144.8 Ų144.871%0.70679%0.786SS**  091.70175.50000109.9H97S95-H97 PolarHBondContact O-N 3.43Å
96Y41.7Very low43.3Very low219 Ų219144.3 Ų144.386%0.85979%0.788SS**  trans-50.684160.6-69.2-79.3000111
97H43.7Very low43.2Very low173 Ų173140.7 Ų140.780%0.80178%0.78SS**  trans-93.586156.5-86.9-66.3000109.9S95 A99S95-H97 PolarHBondContact O-N 3.43Å; H97-A99 VanDerWaalsContact C-N 3.28Å; H97-A99 PolarHBondContact O-N 3.33Å
98E39Very low42.8Very low197 Ų197144.5 Ų144.592%0.92178%0.783SS**  trans-33.776.8150.1-136.7178.717800111.8
99A40.4Very low42.5Very low82 Ų82144.8 Ų144.868%0.67878%0.776SS**  trans-90.182.2166.400000109.7H97 I101H97-A99 VanDerWaalsContact C-N 3.28Å; H97-A99 PolarHBondContact O-N 3.33Å; A99-I101 PolarHBondContact O-N 3.48Å
100A41Very low42.5Very low91 Ų91141.4 Ų141.475%0.75277%0.771SS**  trans-24.280.5144.500000111.4T102A100-T102 PolarHBondContact O-N 2.81Å
101I41.2Very low42.2Very low140 Ų140140.6 Ų140.672%0.71877%0.767SS**  trans-61.20160.1-61.8169.6000108.9A99 R103A99-I101 PolarHBondContact O-N 3.48Å; I101-R103 VanDerWaalsContact C-N 3.34Å; I101-R103 HydrophobicContact CG2-CG 3.84Å
102T46.9Very low42.4Very low117 Ų117142.8 Ų142.872%0.71877%0.77SS**  00048.30000110.5A100 K104A100-T102 PolarHBondContact O-N 2.81Å; T102-K104 PolarHBondContact O-N 3.4Å
103R39.4Very low41.9Very low232 Ų232140.4 Ų140.488%0.87576%0.764SS**  0730-67.2-171.3-179.8-173-0110.7I101I101-R103 VanDerWaalsContact C-N 3.34Å; I101-R103 HydrophobicContact CG2-CG 3.84Å
104K46Very low41.8Very low180 Ų180138.4 Ų138.478%0.78376%0.758SS**  trans-86.483.3160.1-80.2-179.5179.9-178.50110.2T102 T106T102-K104 PolarHBondContact O-N 3.4Å; K104-T106 VanDerWaalsContact C-N 3.33Å; K104-T106 PolarHBondContact O-N 3.23Å
105S42.1Very low42.1Very low110 Ų110142.8 Ų142.877%0.76977%0.766SS**  trans-29.50150.566.20000111.7
106T43.1Very low42.1Very low131 Ų131143.8 Ų143.880%0.80477%0.77SS**  084054.80000109.6K104 F108K104-T106 VanDerWaalsContact C-N 3.33Å; K104-T106 PolarHBondContact O-N 3.23Å; T106-F108 VanDerWaalsContact C-N 3.27Å; T106-F108 PolarHBondContact O-N 2.98Å
107V42.4Very low42Very low114 Ų114137.1 Ų137.169%0.69177%0.769SS**  trans-36.177.8151.1-179.20000110E109V107-E109 VanDerWaalsContact C-N 3.26Å; V107-E109 HydrophobicContact CG1-CG 3.96Å; V107-E109 PolarHBondContact O-N 3Å
108F35.4Very low41.6Very low183 Ų183132.6 Ų132.680%0.80377%0.768SS**  trans-55.378.6156.5-156.4-100.9000110.4T106T106-F108 VanDerWaalsContact C-N 3.27Å; T106-F108 PolarHBondContact O-N 2.98Å
109E40.7Very low41.5Very low142 Ų142130.8 Ų130.866%0.66477%0.765SS**  trans-68.680.1163.8-100.6166.1-178.700110.8V107 E111V107-E109 VanDerWaalsContact C-N 3.26Å; V107-E109 HydrophobicContact CG1-CG 3.96Å; V107-E109 PolarHBondContact O-N 3Å; E109-E111 VanDerWaalsContact C-N 3.25Å; E109-E111 HydrophobicContact CB-CG 4.33Å
110S45.1Very low41.7Very low93 Ų93131.9 Ų131.965%0.6577%0.768SS**  trans-65.578.8157.155.80000110.7N112S110-N112 VanDerWaalsContact C-N 3.29Å; S110-N112 PolarHBondContact O-N 3.24Å
111E39.9Very low41.6Very low155 Ų155132.8 Ų132.872%0.72477%0.769SS**  trans-64.779.5167.5-58.2-160.117000110.4E109E109-E111 VanDerWaalsContact C-N 3.25Å; E109-E111 HydrophobicContact CB-CG 4.33Å
112N42.2Very low41.6Very low158 Ų158135.2 Ų135.285%0.84578%0.777SS**  trans-94.273.3152.9-79.9-10000110.3S110S110-N112 VanDerWaalsContact C-N 3.29Å; S110-N112 PolarHBondContact O-N 3.24Å
113G39Very low41.7Very low67 Ų67138.4 Ų138.469%0.69178%0.783SS**  trans-93.696.9173.100000111
114I44.4Very low42.2Very low158 Ų158133 Ų13381%0.8178%0.778SS**  3.384.8126.6-60.1165.9000110.1P116I114-P116 WeakPolarHBondContact O-CD 3.09Å
115N42.8Very low42.4Very low156 Ų156129 Ų12983%0.83478%0.778SS**  trans-35.9109.9156.5-87.3-38.9000111.9
116P48.1Very low43.3Very low121 Ų121130.3 Ų130.379%0.78678%0.777SS**  trans-108.20152.331.1-16.8000111.8I114I114-P116 WeakPolarHBondContact O-CD 3.09Å
117G39.2Very low44Very low80 Ų80132.4 Ų132.483%0.82578%0.782SS**  0100.1000000112
118G36.2Very low45.2Very low77 Ų77130.9 Ų130.979%0.79478%0.776SS**  104.5104.4118.300000111
119D36.8Very low46.6Very low160 Ų160127.8 Ų127.886%0.85678%0.775SS**  119.70112.2-1472.3000109.6
120S44Very low47.6Very low105 Ų105127.2 Ų127.273%0.73478%0.784SS**  095.6062.50000109.5
121S38Very low48.2Very low110 Ų110134.4 Ų134.477%0.76980%0.796SS**  56.40114.554.70000111
122H42.2Very low48.9Very low191 Ų191137 Ų13788%0.88480%0.8SS**  084.90-128.547.3000109.2
123E48.3Very low49.1Very low184 Ų184141.1 Ų141.186%0.8680%0.803SS**  trans-39.20159.8-79.4-86.4149.100111.4
124P50.1Low49.6Very low119 Ų119144.7 Ų144.777%0.77380%0.802SS**  00030.6-16.1000111.6
125A51.5Low49.8Very low94 Ų94142.9 Ų142.978%0.77780%0.798SS**  088.7000000111.2
126D60.6Low50Low139 Ų139140.9 Ų140.974%0.74379%0.792SS**  trans-470153.7-167.44.1000111.1S128D126-S128 VanDerWaalsContact C-N 3.28Å; D126-S128 PolarHBondContact OD1-N 2.94Å; D126-S128 PolarHBondContact OD1-OG 2.97Å
127L57.1Low49.6Very low175 Ų175146 Ų14692%0.91680%0.795SS**  0490-63.4174.9000110.5
128S66.9Low49.9Very low81 Ų81153.9 Ų153.957%0.56680%0.8SS**SBendtrans-122.5132.3166.2-55.50000109.4D126D126-S128 VanDerWaalsContact C-N 3.28Å; D126-S128 PolarHBondContact OD1-N 2.94Å; D126-S128 PolarHBondContact OD1-OG 2.97Å
129P65.9Low50Low118 Ų118162 Ų16277%0.76681%0.807SS**  trans-52.6137.1-17516-3.7000111.9R131P129-R131 PolarHBondContact O-N 3.21Å
130P62Low50.1Low131 Ų131163 Ų16385%0.85181%0.806SS**  trans-60.50-165.522.9-15.3000111.8
131R56.8Low50Low244 Ų244164.8 Ų164.892%0.92181%0.807SS**  089.10-126.5177.1-144.3-1340110.2P129 R133P129-R131 PolarHBondContact O-N 3.21Å; R131-R133 PolarHBondContact O-N 3.47Å
132R54.2Low50.3Low210 Ų210164.5 Ų164.579%0.79281%0.805SS**  trans-19.893.6154.4-157174.8174.7-147.7-0.6111.7Q134R132-Q134 HydrophobicContact CG-CG 4.42Å
133R46.9Very low50.3Low243 Ų243163.5 Ų163.592%0.91780%0.801SS**  trans-80.890.6164.3-73.9-171.3175-172.6-1110.1R131R131-R133 PolarHBondContact O-N 3.47Å
134Q50.8Low50Low143 Ų143163.1 Ų163.167%0.66880%0.799SS**  trans-79.397165.6-83.7-160.6-22.900110.5R132R132-Q134 HydrophobicContact CG-CG 4.42Å
135T47.5Very low49.7Very low119 Ų119162.8 Ų162.873%0.7380%0.8SS**  trans-35112.4135.858.30000111.3
136V46.7Very low49.9Very low115 Ų115165.3 Ų165.370%0.69780%0.8SS**  83103.4112.6-173.20000109.1
137R40.9Very low49.5Very low229 Ų229166.3 Ų166.386%0.86480%0.804SS**  81.999.5119.8-76.2-169.9161.5170.1-1110.2
138R43.6Very low49.8Very low245 Ų245162.5 Ų162.593%0.92579%0.793SS**  trans177.999.3141.8-85.1-163.4174.1-160.4-0.6109.2
139R40.1Very low49.6Very low247 Ų247164.1 Ų164.193%0.93280%0.801SS**  60.50109.1-82.1-173.8179.7149.3-1.1110.7
140H37.4Very low49.6Very low180 Ų180164.2 Ų164.283%0.83380%0.802SS**  0112.20-93.8-73.5000111.1
141D42Very low49.3Very low144 Ų144170.2 Ų170.277%0.7781%0.807SS**  trans162.2103130.8-91.2-12.2000109.2
142S44.9Very low49.1Very low103 Ų103168.6 Ų168.672%0.7281%0.807SS**  120107.511537.90000109.7
143E42.8Very low49Very low170 Ų170162.3 Ų162.379%0.79480%0.8SS**  97.3101105-53.5-122.8167.900109.8
144E42Very low49.1Very low177 Ų177156.9 Ų156.983%0.82780%0.796SS**  145.983.5127.2-167.194.6-147.500109.4
145S44Very low49Very low112 Ų112157.7 Ų157.778%0.78380%0.804SS**  trans16075134.8-148.70000109.2
146D54Low48.7Very low147 Ų147159.2 Ų159.279%0.78681%0.807SS**  trans-6391.9160.8-159.72.4000110.8
147L54.1Low48.7Very low159 Ų159158.2 Ų158.283%0.83281%0.806SS**  trans-115.362.7159.1-67175.3000109.8
148S62.3Low48.7Very low96 Ų96156.1 Ų156.167%0.67181%0.805SS**SBendtrans-131.5125.1155.1-57.20000109.5
149P63.8Low48.7Very low114 Ų114148 Ų14874%0.7479%0.791SS**  trans-55.7138.7-178.315.4-0.3000111.9
150P64.5Low49Very low121 Ų121146.8 Ų146.879%0.78679%0.788SS**  trans-54.5114.4-171.523.8-16.3000111.8K152P150-K152 PolarHBondContact O-N 2.49Å
151R55.8Low49.3Very low256 Ų256142.9 Ų142.997%0.96679%0.787SS**  trans-43.394.6157-103.3-178.3-160.5-141.50.5111.4A153R151-A153 PolarHBondContact O-N 3.18Å
152K53.5Low49.5Very low210 Ų210140.6 Ų140.691%0.91379%0.787SS**  trans-42.7100.1162.2-77.1-163176.9-172.10111.2P150P150-K152 PolarHBondContact O-N 2.49Å
153A52Low49.9Very low78 Ų78142 Ų14265%0.64579%0.792SS**  trans-39.6136.8149.800000111.4R151 I155R151-A153 PolarHBondContact O-N 3.18Å; A153-I155 PolarHBondContact O-N 3.36Å
154P48.7Very low50.5Low129 Ų129139.6 Ų139.684%0.83879%0.791SS**  trans-76.40-179.916.93.1000111.6
155I47.8Very low51.7Low160 Ų160136.7 Ų136.782%0.82179%0.787SS**  0100.10-66.6170000109A153A153-I155 PolarHBondContact O-N 3.36Å
156D42.8Very low52.7Low151 Ų151137.2 Ų137.281%0.80779%0.788SS**  trans-24.8105.4133.5-78.2-18.6000111.5
157S45.8Very low52.6Low95 Ų95136.2 Ų136.266%0.66479%0.789SS**  trans170.3104.4135.558.30000109.4
158H41.5Very low52.1Low184 Ų184140.9 Ų140.985%0.85280%0.796SS**  84.4100.4108.8-86.5-70.7000110.3
159A42.4Very low51.3Low76 Ų76142.1 Ų142.163%0.62880%0.804SS**  146.693.6126.600000109.1
160Y46.1Very low50.3Low221 Ų221147.9 Ų147.987%0.86781%0.811SS**  138.590.2119.6-81-84.1000109.2
161A44.3Very low49.4Very low98 Ų98147.9 Ų147.981%0.8181%0.809SS**  138.189.7124.700000109.3
162A45.5Very low48.8Very low95 Ų95140.8 Ų140.879%0.78580%0.796SS**  100.50112.200000109.9
163V53.4Low48.2Very low134 Ų134136 Ų13681%0.81279%0.789SS**  0105.70-173.40000107.7
164P56.4Low47.9Very low119 Ų119137.7 Ų137.777%0.77379%0.791SS**PPolyproline II helixtrans-77.60-178.327.9-9.6000111.7
165P66.3Low47.7Very low116 Ų116139.7 Ų139.775%0.75379%0.79SS**PPolyproline II helix00026.8-15.5000111.8
166P66.3Low47.3Very low122 Ų122143.6 Ų143.679%0.79279%0.794SS**PPolyproline II helix00024.3-20.8000111.9
167P52Low47.1Very low126 Ų126146.9 Ų146.982%0.81880%0.795SS**  0115027.2-7.6000111.7
168R43Very low46.8Very low258 Ų258147.1 Ų147.197%0.97480%0.796SS**  trans-55.991.2155.6-82.4-176.7176.7177.6-0.2110.9
169S44.5Very low46.8Very low121 Ų121148.3 Ų148.385%0.84679%0.793SS**  trans-69.697.1165.965.20000110.8
170R43.6Very low46.8Very low236 Ų236156.5 Ų156.589%0.89181%0.808SS**  trans-93.3104.4147.2-81.4-175.4164.1169.50110.4
171T45.4Very low46.6Very low121 Ų121158.1 Ų158.174%0.74281%0.813SS**  123.9165.2111.156.90000109.3
172P44.5Very low46.3Very low107 Ų107157 Ų15770%0.69581%0.811SS**  cis-171.3136.12033.6-4.8000111.9
173S38.9Very low46.1Very low108 Ų108157.8 Ų157.876%0.75581%0.811SS**  121.598.9128.796.10000109.7
174V46.9Very low45.6Very low114 Ų114160.6 Ų160.669%0.69182%0.815SS**  trans-171.598.2140.6-1760000107.9
175E45Very low45.1Very low172 Ų172163.4 Ų163.480%0.80482%0.818SS**  9497.9114.1-102.6178.5-179.500110.2
176R38.1Very low43.9Very low241 Ų241163.8 Ų163.891%0.90982%0.823SS**  55.8100.7108.4-86.6-171.2162.9168-0.6110.8
177R38.9Very low43.6Very low220 Ų220164.2 Ų164.283%0.8382%0.819SS**  trans16599.5131.9-124.8174.1172.4-173.9-0.2109.2
178S40.4Very low44.2Very low100 Ų100166.4 Ų166.470%0.69982%0.823SS**  31.9104.9115.5114.80000111.3
179R41.7Very low45.6Very low209 Ų209157.7 Ų157.779%0.78980%0.801SS**  trans175.9100138.8-82.3-172.6-174.9135.50.2109.1
180R41.4Very low46.7Very low249 Ų249157.1 Ų157.194%0.9480%0.795SS**  22.8108.8115.2-86.8-168.1-176-1640.5111.2
181R42.9Very low47.8Very low254 Ų254151.8 Ų151.896%0.95879%0.791SS**  trans151.3100.4139-136.3176.1-159.7-161.90.9109.2
182G36.7Very low48.5Very low76 Ų76157.8 Ų157.878%0.78480%0.8SS**  80.790.4112.500000111.2
183S42.9Very low48.8Very low110 Ų110161.4 Ų161.477%0.76980%0.804SS**  trans-146.60153.3129.40000109.4
184E42.1Very low49.1Very low194 Ų194158.9 Ų158.991%0.90780%0.796SS**  083.80-72.1-176.4176.100111.3
185E45.7Very low48.9Very low178 Ų178165.3 Ų165.383%0.83281%0.808SS**  trans-134.288.1154-136.4144.5-168.400109.7D187E185-D187 PolarHBondContact O-N 3.4Å
186S40.3Very low49.1Very low123 Ų123162.1 Ų162.186%0.8680%0.795SS**  trans4968.3131.4-102.50000111.2
187D61Low49.7Very low131 Ų131156.6 Ų156.670%0.70178%0.784SS**  trans-8895.2163-168.46000110E185 S189E185-D187 PolarHBondContact O-N 3.4Å; D187-S189 PolarHBondContact O-N 3.31Å; D187-S189 VanDerWaalsContact OD1-CB 3.29Å; D187-S189 WeakPolarHBondContact OD1-CB 3.12Å; D187-S189 PolarHBondContact OD1-N 2.96Å; D187-S189 PolarHBondContact OD1-OG 2.77Å
188L63.7Low50.3Low173 Ų173151 Ų15191%0.90678%0.784SS**  trans-69.641.3167.8-64.1174.9000110.3
189S72.4Confident51.1Low74 Ų74154.5 Ų154.552%0.51779%0.79SS.*SBendtrans-107.7125.8170.1-60.30000109.8D187D187-S189 PolarHBondContact O-N 3.31Å; D187-S189 VanDerWaalsContact OD1-CB 3.29Å; D187-S189 WeakPolarHBondContact OD1-CB 3.12Å; D187-S189 PolarHBondContact OD1-N 2.96Å; D187-S189 PolarHBondContact OD1-OG 2.77Å
190P68.6Low51.7Low109 Ų109147.8 Ų147.871%0.70878%0.778SS**  trans-45.7125173.77.80000111.8R192P190-R192 PolarHBondContact O-N 2.36Å
191P65.9Low52.1Low124 Ų124145.9 Ų145.981%0.80577%0.773SS**  trans-38.5103176.917.5-19.1000111.7K193P191-K193 VanDerWaalsContact C-N 3.25Å; P191-K193 PolarHBondContact O-N 2.76Å
192R61Low52.7Low247 Ų247138.9 Ų138.993%0.93276%0.763SS**  trans-57.70163.1-90.6-176.2-160.1-130.71110.9P190 G194P190-R192 PolarHBondContact O-N 2.36Å; R192-G194 VanDerWaalsContact C-N 3.31Å; R192-G194 PolarHBondContact O-N 2.69Å
193K50.4Low53.4Low183 Ų183140.2 Ų140.280%0.79676%0.76SS**  084.90-132.9171.7-179.1-174.30111.7P191 I196P191-K193 VanDerWaalsContact C-N 3.25Å; P191-K193 PolarHBondContact O-N 2.76Å; K193-I196 HydrophobicContact CD-CD1 3.85Å; K193-I196 HydrophobicContact CG-CD1 4.25Å
194G45.9Very low54.1Low56 Ų56140.4 Ų140.458%0.57776%0.757SS**  trans4.597.613200000112.5R192 I196R192-G194 VanDerWaalsContact C-N 3.31Å; R192-G194 PolarHBondContact O-N 2.69Å; G194-I196 PolarHBondContact O-N 2.66Å
195R42.6Very low55Low249 Ų249136.7 Ų136.794%0.9475%0.749SS**  trans39.566.6137.2-144.1178.8-174.9-146.30.3111.2
196I48.7Very low55.7Low104 Ų104134.3 Ų134.353%0.53375%0.749SS.*  trans-81.10169.2-62.5172.3000108.7K193 G194 A198 A200K193-I196 HydrophobicContact CD-CD1 3.85Å; K193-I196 HydrophobicContact CG-CD1 4.25Å; G194-I196 PolarHBondContact O-N 2.66Å; I196-A198 PolarHBondContact O-N 3.34Å; I196-A200 HydrophobicContact CG2-CB 4.31Å
197D50Low56Low126 Ų126133.1 Ų133.167%0.67475%0.747SS**  090.70-63.8-24.3000111.3Q199 A200D197-Q199 PolarHBondContact O-N 2.95Å; D197-A200 PolarHBondContact O-N 3.48Å
198A53.1Low55.3Low102 Ų102132.5 Ų132.584%0.84375%0.753SS**THydrogen-bonded Turntrans-22.129.4152.200000111.5I196I196-A198 PolarHBondContact O-N 3.34Å
199Q56Low54.6Low174 Ų174129.6 Ų129.681%0.81375%0.747SS**THydrogen-bonded Turntrans-138.10168.9-105117.9-20.500109.6D197D197-Q199 PolarHBondContact O-N 2.95Å
200A53.7Low53.3Low67 Ų67138.1 Ų138.155%0.55477%0.768SS**THydrogen-bonded Turn00000000109.3I196 D197I196-A200 HydrophobicContact CG2-CB 4.31Å; D197-A200 PolarHBondContact O-N 3.48Å
201Y49.7Very low52.5Low209 Ų209138.2 Ų138.282%0.8277%0.771SS**THydrogen-bonded Turn038.10-98.2-88.2000109.2S203Y201-S203 PolarHBondContact O-N 3.19Å
202S55.7Low51.6Low108 Ų108138.2 Ų138.276%0.75577%0.771SS**THydrogen-bonded Turntrans-106.740.7170.51460000109.6
203S53.1Low50.9Low104 Ų104131.4 Ų131.473%0.72776%0.761SS**THydrogen-bonded Turntrans-135.60164-17.60000109.5Y201Y201-S203 PolarHBondContact O-N 3.19Å
204V56.2Low50.7Low114 Ų114128.5 Ų128.569%0.69176%0.759SS**  0101.70-1400000107.8
205P61.7Low50.9Low115 Ų115133.9 Ų133.975%0.74777%0.769SS**  trans-62.90178.119.6-12.5000111.6
206P60.6Low50.7Low128 Ų128127.3 Ų127.383%0.83176%0.761SS**  0111023.6-20.1000111.7S208P206-S208 PolarHBondContact O-N 2.82Å
207A47.2Very low50.5Low99 Ų99134.1 Ų134.182%0.81878%0.78SS**  trans-37015300000111.5
208S46.3Very low50.1Low118 Ų118133.2 Ų133.283%0.82578%0.784SS**  078.70167.80000109.9P206P206-S208 PolarHBondContact O-N 2.82Å
209S48.8Very low49.9Very low112 Ų112133 Ų13378%0.78378%0.775SS**  trans-150.874.814758.90000109.2
210R44.6Very low49.3Very low253 Ų253136.3 Ų136.396%0.95578%0.781SS**  trans-91.593.9162-100.3172.3121.6-164.50.8109.9
211S52.2Low48.7Very low110 Ų110144.4 Ų144.477%0.76980%0.797SS**  trans-87.7125.4146.4-7.40000110.4
212P45.5Very low48.6Very low124 Ų124138.8 Ų138.881%0.80579%0.788SS**  trans-90.2102175.27.210.5000111.7
213S46.7Very low47.9Very low104 Ų104142.1 Ų142.173%0.72779%0.792SS**  trans-102.994.4166.489.10000109.9
214T47.3Very low47.5Very low123 Ų123142.2 Ų142.276%0.75579%0.792SS**  trans-30.989.6138.350.60000111.3
215H48.4Very low47.4Very low168 Ų168148.4 Ų148.478%0.77880%0.803SS**  trans-136.60154.3-67.3-18.4000109.5
216S38.9Very low46.7Very low111 Ų111148.5 Ų148.578%0.77680%0.804SS**  0940133.60000111.2
217R44Very low46.1Very low248 Ų248147.5 Ų147.594%0.93680%0.8SS**  trans-143.60154.1-90.2-18098.9166.7-0.4109.4
218S42.6Very low46.4Very low107 Ų107152.5 Ų152.575%0.74880%0.804SS**  0108.301130000111.7
219S48.2Very low46.7Very low96 Ų96152.8 Ų152.867%0.67180%0.796SS**  132.199.4124.270.60000109.6
220R44Very low46.9Very low244 Ų244155.6 Ų155.692%0.92179%0.794SS**  trans-175.50134.8-82.7-175.8-170.9-160.70.1109.2
221R42Very low47.2Very low238 Ų238151.6 Ų151.690%0.89879%0.785SS**  0110.80-154.1171.4179.1-152.9-0.5111
222S47Very low47.3Very low90 Ų90150.4 Ų150.463%0.62978%0.777SS**  122108.8105.3630000109.8
223E40.2Very low47.6Very low179 Ų179152.1 Ų152.184%0.83677%0.772SS**  54.5100.3106.8-100.3128.6-167.400111.1
224S46.3Very low48Very low106 Ų106151.5 Ų151.574%0.74176%0.764SS**  trans171.90140.262.90000109.3
225R52.3Low48.4Very low243 Ų243149.1 Ų149.192%0.91776%0.757SS**  000-73.9-176.8138.3-155.20.4109.3
226P48.2Very low48.6Very low117 Ų117148.6 Ų148.676%0.7675%0.748SS**  00034.4-6.1000111.7
227S47.4Very low49.4Very low108 Ų108150.7 Ų150.776%0.75575%0.745SS**  081.70-65.20000109.2
228K53Low50Low204 Ų204148.1 Ų148.189%0.88774%0.741SS**  trans-150.50145-126.6172.7-179.51680109.3
229D52.4Low50.3Low123 Ų123145.9 Ų145.966%0.65873%0.726SS**  091.80-82.1-19.9000111.6
230K53.8Low50.2Low172 Ų172144.7 Ų144.775%0.74872%0.717SS**SBend107.40110.3-88.5179.6-179.2177.50110.4
231H50.6Low50.9Low168 Ų168137.3 Ų137.378%0.77870%0.703SS**SBend014.60-77.3-60.7000109.9
232S54Low51.6Low85 Ų85131.3 Ų131.359%0.59470%0.698SS**SBendtrans-114.40177.466.30000110.2
233K53Low52.2Low160 Ų160136 Ų13670%0.69671%0.706SS**THydrogen-bonded Turn0-6.70-153.4173.8-178.8171.30110
234T54.3Low53.1Low92 Ų92128.9 Ų128.956%0.56468%0.677SS**THydrogen-bonded Turntrans-111.73.3175.8570000109.7
235A54.9Low54Low73 Ų73126.8 Ų126.860%0.60367%0.672SS**THydrogen-bonded Turntrans-104-3.6174.400000110.1
236R53.7Low54.6Low156 Ų156121.8 Ų121.859%0.58965%0.653SS**SBendtrans-104.90178.4-168.5165.5163.1-158.2-2.1109.9S239 R246R236-S239 PolarHBondContact O-OG 3.34Å; R236-R246 VanDerWaalsContact NE-CZ 3.32Å
237E56.2Low55.4Low155 Ų155122.8 Ų122.872%0.72465%0.652SS**THydrogen-bonded Turn000-88.6178.9178.800110.3
238K56.5Low56.4Low195 Ų195121.2 Ų121.285%0.84865%0.645SS**THydrogen-bonded Turn018.80-76.3-179.3-176.51780109.8S240K238-S240 PolarHBondContact O-N 3.36Å
239S48.4Very low57.3Low60 Ų60120.3 Ų120.342%0.4264%0.641SS.*SBendtrans-112.384.7175.663.50000109.3R236 S241R236-S239 PolarHBondContact O-OG 3.34Å; S239-S241 PolarHBondContact O-N 2.71Å
240S47Very low58.2Low71 Ų71120.2 Ų120.250%0.49765%0.648SS.*  trans1.188.6162.466.80000111.6K238 S242 K243K238-S240 PolarHBondContact O-N 3.36Å; S240-S242 PolarHBondContact O-N 2.68Å; S240-K243 PolarHBondContact O-N 3.18Å
241S57.2Low59Low89 Ų89118.6 Ų118.662%0.62265%0.652SS**THydrogen-bonded Turntrans-10.1-7158.8162.20000111.7S239S239-S241 PolarHBondContact O-N 2.71Å
242S57.2Low60.1Low112 Ų112116.4 Ų116.478%0.78365%0.65SS**THydrogen-bonded Turntrans-100.2-4.2-178.7172.90000111.5S240S240-S242 PolarHBondContact O-N 2.68Å
243K59.1Low60.8Low187 Ų187123.4 Ų123.481%0.81366%0.663SS**SBendtrans-123.15.1-178.7-89.3170.8172.3142.50109.4S240S240-K243 PolarHBondContact O-N 3.18Å
244S59.5Low61.4Low30 Ų30125.1 Ų125.121%0.2167%0.671CS.*SBendtrans-115.30-173.2121.90000109.4R246S244-R246 WeakPolarHBondContact O-CA 3.19Å; S244-R246 VanDerWaalsContact O-CB 3.29Å; S244-R246 WeakPolarHBondContact O-CB 3.29Å; S244-R246 PolarHBondContact O-N 3.29Å; S244-R246 WeakPolarHBondContact OG-CB 3.14Å; S244-R246 WeakPolarHBondContact OG-CD 3.37Å; S244-R246 WeakPolarHBondContact OG-CG 3.29Å
245G65.9Low61.7Low62 Ų62130 Ų13064%0.63968%0.684SS**G310 helix00000000112.3D247 A248G245-D247 PolarHBondContact O-N 2.82Å; G245-A248 PolarHBondContact O-N 3.42Å
246R63.9Low61.3Low139 Ų139135.6 Ų135.653%0.52570%0.7SS.*G310 helix000-100.7-178.6172.3123.9-0.3109.5R236 S244R236-R246 VanDerWaalsContact NE-CZ 3.32Å; S244-R246 WeakPolarHBondContact O-CA 3.19Å; S244-R246 VanDerWaalsContact O-CB 3.29Å; S244-R246 WeakPolarHBondContact O-CB 3.29Å; S244-R246 PolarHBondContact O-N 3.29Å; S244-R246 WeakPolarHBondContact OG-CB 3.14Å; S244-R246 WeakPolarHBondContact OG-CD 3.37Å; S244-R246 WeakPolarHBondContact OG-CG 3.29Å
247D64.6Low61.2Low137 Ų137133.6 Ų133.673%0.73371%0.705SS**G310 helix000-69.4-39.5000109.6G245 K249G245-D247 PolarHBondContact O-N 2.82Å; D247-K249 PolarHBondContact O-N 2.72Å
248A69.3Low61.2Low75 Ų75132.9 Ų132.962%0.6271%0.711SS**  0112.7000000109.2G245G245-A248 PolarHBondContact O-N 3.42Å
249K72Confident61.3Low186 Ų186132.2 Ų132.281%0.80971%0.708SS**  trans-45.6122.1173-68.6-174-179.2173.10111.3D247 V251D247-K249 PolarHBondContact O-N 2.72Å; K249-V251 PolarHBondContact O-N 3.3Å
250P71.3Confident61.6Low121 Ų121138.7 Ų138.779%0.78673%0.729SS**  trans-52.5017618.8-18.8000111.6V252P250-V252 PolarHBondContact O-N 3.47Å
251V70.8Confident62.1Low137 Ų137138.9 Ų138.983%0.8372%0.722SS**  090.50178.40000108.6K249 R253K249-V251 PolarHBondContact O-N 3.3Å; V251-R253 PolarHBondContact O-N 3.27Å
252V73.7Confident62.7Low123 Ų123138.3 Ų138.375%0.74572%0.715SS**  trans-63.30166.9-177.80000109.1P250 K254P250-V252 PolarHBondContact O-N 3.47Å; V252-K254 PolarHBondContact O-N 2.8Å
253R68.7Low63.7Low231 Ų231141.3 Ų141.387%0.87272%0.717SS**  0103.60-88.3-178.4156.6108.9-1.1110.6V251 K255V251-R253 PolarHBondContact O-N 3.27Å; R253-K255 VanDerWaalsContact C-N 3.33Å; R253-K255 PolarHBondContact O-N 3.49Å
254K64.9Low64.8Low197 Ų197139.5 Ų139.586%0.85771%0.711SS**  trans-48.793.6170.7-68.1-174-178171.70110.9V252 M256V252-K254 PolarHBondContact O-N 2.8Å; K254-M256 PolarHBondContact O-N 3.41Å
255K61.2Low65.8Low193 Ų193143.2 Ų143.284%0.83973%0.725SS**  trans-29.30162.4-84.2176.1-177.7-175.90111.2R253 T257R253-K255 VanDerWaalsContact C-N 3.33Å; R253-K255 PolarHBondContact O-N 3.49Å; K255-T257 PolarHBondContact O-N 2.9Å
256M47.4Very low66.8Low191 Ų191145.4 Ų145.494%0.94172%0.717SS**  065.80-82.5-107.2-167.400111.3K254 V258K254-M256 PolarHBondContact O-N 3.41Å; M256-V258 PolarHBondContact O-N 3.29Å
257T50.3Low67.9Low114 Ų114141.3 Ų141.370%0.69971%0.713SS**  trans-46.80163.553.70000110.1K255 K259K255-T257 PolarHBondContact O-N 2.9Å; T257-K259 PolarHBondContact O-N 2.9Å
258V56.8Low69.1Low140 Ų140139.7 Ų139.785%0.84870%0.703SS**  000-1790000110.1M256 K260M256-V258 PolarHBondContact O-N 3.29Å; V258-K260 PolarHBondContact O-N 3.28Å
259K58.1Low69.9Low182 Ų182143 Ų14379%0.79170%0.7SS**  090.40-83-178.5-177.9175.40111T257 E261T257-K259 PolarHBondContact O-N 2.9Å; K259-E261 PolarHBondContact O-N 3.28Å
260K55.5Low70.8Confident196 Ų196139.5 Ų139.585%0.85269%0.687SS**  trans-35.583.9163.5-84.6-178-175.1176.60111V258 T262V258-K260 PolarHBondContact O-N 3.28Å; K260-T262 VanDerWaalsContact C-N 3.28Å; K260-T262 PolarHBondContact O-N 2.95Å
261E57.8Low71.6Confident75 Ų75137.9 Ų137.935%0.3567%0.669SS.*  trans-25.5104.8170.3-67.2-179.2173.700111.1K259 E263 E265 K266 R269K259-E261 PolarHBondContact O-N 3.28Å; E261-E263 PolarHBondContact O-N 3.41Å; E261-E265 HydrophobicContact CB-CB 4.37Å; E261-K266 HydrophobicContact CB-CD 4.28Å; E261-K266 HydrophobicContact CB-CG 3.6Å; E261-K266 WeakPolarHBondContact OE2-CG 3.34Å; E261-R269 IonicContact OE1-NH1 3.06Å
262T69.7Low72.5Confident77 Ų77136.7 Ų136.747%0.47266%0.657SS.*  trans-46.1124.4171.755.40000110.7K260 E264 E265 K266K260-T262 VanDerWaalsContact C-N 3.28Å; K260-T262 PolarHBondContact O-N 2.95Å; T262-E264 CarbonylContact O-C 3.58Å; T262-E264 PolarHBondContact O-N 3.46Å; T262-E265 PolarHBondContact O-N 2.99Å; T262-E265 WeakPolarHBondContact OG1-CG 3.34Å; T262-K266 PolarHBondContact O-N 3.36Å
263E77.6Confident73.3Confident175 Ų175136 Ų13682%0.81865%0.646SS**Hα-helixtrans-28.5-23.9176.5-71.5-175.5173.500111.4E261 A267E261-E263 PolarHBondContact O-N 3.41Å; E263-A267 WeakPolarHBondContact O-CB 3.44Å; E263-A267 PolarHBondContact O-N 2.99Å
264E81.4Confident74.2Confident148 Ų148131.9 Ų131.969%0.69263%0.634SS**Hα-helixtrans-80.3-37.3-179.1-66.4-179.8173.400111.2T262 K266 A267 L268T262-E264 CarbonylContact O-C 3.58Å; T262-E264 PolarHBondContact O-N 3.46Å; E264-K266 PolarHBondContact O-N 2.93Å; E264-A267 PolarHBondContact O-N 3.39Å; E264-L268 WeakPolarHBondContact O-CG 3.13Å; E264-L268 PolarHBondContact O-N 3.06Å
265E81.9Confident75.1Confident108 Ų108130 Ų13051%0.50562%0.622SS.*Hα-helixtrans-71.4-33.4178.6-76.5-178.917700110.8E261 T262 A267 L268 R269E261-E265 HydrophobicContact CB-CB 4.37Å; T262-E265 PolarHBondContact O-N 2.99Å; T262-E265 WeakPolarHBondContact OG1-CG 3.34Å; E265-A267 VanDerWaalsContact C-N 3.34Å; E265-L268 PolarHBondContact O-N 2.9Å; E265-R269 WeakPolarHBondContact O-CB 3.4Å; E265-R269 PolarHBondContact O-N 3.28Å
266K85.5Confident76.3Confident108 Ų108127.5 Ų127.547%0.4761%0.611SS.*Hα-helixtrans-69.2-40.9176.4-72.3-178-177.2-1800110.6E261 T262 E264 L268 R269 E270E261-K266 HydrophobicContact CB-CD 4.28Å; E261-K266 HydrophobicContact CB-CG 3.6Å; E261-K266 WeakPolarHBondContact OE2-CG 3.34Å; T262-K266 PolarHBondContact O-N 3.36Å; E264-K266 PolarHBondContact O-N 2.93Å; K266-L268 VanDerWaalsContact C-N 3.26Å; K266-L268 PolarHBondContact O-N 3.42Å; K266-R269 PolarHBondContact O-N 3.36Å; K266-E270 WeakPolarHBondContact O-CG 3.36Å; K266-E270 PolarHBondContact O-N 2.57Å
267A87.9Confident78.2Confident53 Ų53120.2 Ų120.244%0.43858%0.581SS.*Hα-helixtrans-63.7-36.7177.500000111.4E263 E264 E265 E270 E271E263-A267 WeakPolarHBondContact O-CB 3.44Å; E263-A267 PolarHBondContact O-N 2.99Å; E264-A267 PolarHBondContact O-N 3.39Å; E265-A267 VanDerWaalsContact C-N 3.34Å; A267-E270 PolarHBondContact O-N 2.96Å; A267-E271 PolarHBondContact O-N 3.02Å
268L89.2Confident79.8Confident103 Ų103117.4 Ų117.454%0.53956%0.564SS.*Hα-helixtrans-70.2-38.1178.2-76.3177.8000111E264 E265 K266 E270 E271 L272E264-L268 WeakPolarHBondContact O-CG 3.13Å; E264-L268 PolarHBondContact O-N 3.06Å; E265-L268 PolarHBondContact O-N 2.9Å; K266-L268 VanDerWaalsContact C-N 3.26Å; K266-L268 PolarHBondContact O-N 3.42Å; L268-E270 PolarHBondContact O-N 3.39Å; L268-E271 PolarHBondContact O-N 3.48Å; L268-L272 WeakPolarHBondContact O-CG 3.26Å; L268-L272 PolarHBondContact O-N 2.68Å
269R87Confident80.9Confident145 Ų145120.1 Ų120.155%0.54756%0.559SS.*Hα-helixtrans-65.5-38.1177.7-167.5171.2-177.4-170.70.2110.5E261 E265 K266 E271 L272 E273E261-R269 IonicContact OE1-NH1 3.06Å; E265-R269 WeakPolarHBondContact O-CB 3.4Å; E265-R269 PolarHBondContact O-N 3.28Å; K266-R269 PolarHBondContact O-N 3.36Å; R269-E271 VanDerWaalsContact C-N 3.29Å; R269-L272 PolarHBondContact O-N 2.86Å; R269-E273 IonicContact NE-OE1 3.6Å; R269-E273 WeakPolarHBondContact O-CB 3.18Å; R269-E273 WeakPolarHBondContact O-CG 3.35Å; R269-E273 PolarHBondContact O-N 3.21Å
270E89.9Confident82Confident113 Ų113114.7 Ų114.753%0.52854%0.544SS..Hα-helixtrans-68.4-38.3179.3-73.4179.4-178.800110.9K266 A267 L268 L272 E273 K274K266-E270 WeakPolarHBondContact O-CG 3.36Å; K266-E270 PolarHBondContact O-N 2.57Å; A267-E270 PolarHBondContact O-N 2.96Å; L268-E270 PolarHBondContact O-N 3.39Å; E270-L272 VanDerWaalsContact C-N 3.27Å; E270-L272 PolarHBondContact O-N 1.89Å; E270-E273 PolarHBondContact O-N 2.92Å; E270-K274 WeakPolarHBondContact O-CB 3.15Å; E270-K274 WeakPolarHBondContact O-CG 3.1Å; E270-K274 PolarHBondContact O-N 3.38Å
271E89.6Confident82.9Confident87 Ų87110.8 Ų110.841%0.40753%0.527SS..Hα-helixtrans-64.6-40.1176.8-171.3169.6-173.800111.4A267 L268 R269 E273 K274 R275A267-E271 PolarHBondContact O-N 3.02Å; L268-E271 PolarHBondContact O-N 3.48Å; R269-E271 VanDerWaalsContact C-N 3.29Å; E271-E273 VanDerWaalsContact C-N 3.25Å; E271-E273 PolarHBondContact O-N 3.44Å; E271-K274 PolarHBondContact O-N 3.26Å; E271-R275 WeakPolarHBondContact O-CG 3.44Å; E271-R275 PolarHBondContact O-N 3.42Å; E271-R275 IonicContact OE1-CZ 2.68Å; E271-R275 IonicContact OE1-NE 3.88Å; E271-R275 IonicContact OE1-NH2 3.96Å; E271-R275 PolarHBondContact OE1-NH2 2.99Å
272L89.5Confident83.3Confident112 Ų112110 Ų11059%0.58654%0.538SS*.Hα-helixtrans-67.9-37.3178.9-75.5179.3000110.5L268 R269 E270 K274 R275 F276L268-L272 WeakPolarHBondContact O-CG 3.26Å; L268-L272 PolarHBondContact O-N 2.68Å; R269-L272 PolarHBondContact O-N 2.86Å; E270-L272 VanDerWaalsContact C-N 3.27Å; E270-L272 PolarHBondContact O-N 1.89Å; L272-K274 PolarHBondContact O-N 2.87Å; L272-R275 PolarHBondContact O-N 2.84Å; L272-F276 VanDerWaalsContact O-CB 3.26Å; L272-F276 WeakPolarHBondContact O-CB 3.09Å; L272-F276 PolarHBondContact O-N 3.47Å
273E88.9Confident82.7Confident109 Ų109108.7 Ų108.751%0.50953%0.525SS..Hα-helixtrans-67-35.9179.5-78.9177.6-173.900110.4R269 E270 E271 R275 F276 A277R269-E273 IonicContact NE-OE1 3.6Å; R269-E273 WeakPolarHBondContact O-CB 3.18Å; R269-E273 WeakPolarHBondContact O-CG 3.35Å; R269-E273 PolarHBondContact O-N 3.21Å; E270-E273 PolarHBondContact O-N 2.92Å; E271-E273 VanDerWaalsContact C-N 3.25Å; E271-E273 PolarHBondContact O-N 3.44Å; E273-R275 VanDerWaalsContact C-N 3.28Å; E273-F276 PolarHBondContact O-N 3.25Å; E273-A277 WeakPolarHBondContact O-CB 0.72Å; E273-A277 PolarHBondContact O-N 2.87Å
274K88.2Confident82.3Confident144 Ų144104 Ų10463%0.62651%0.508SS*.Hα-helixtrans-67.9-42.4177.1-72.1-178.7-177.21770111E270 E271 L272 F276 A277 V278 Y283E270-K274 WeakPolarHBondContact O-CB 3.15Å; E270-K274 WeakPolarHBondContact O-CG 3.1Å; E270-K274 PolarHBondContact O-N 3.38Å; E271-K274 PolarHBondContact O-N 3.26Å; L272-K274 PolarHBondContact O-N 2.87Å; K274-F276 PolarHBondContact O-N 2.68Å; K274-A277 PolarHBondContact O-N 3.3Å; K274-V278 VanDerWaalsContact O-CG2 3.24Å; K274-V278 WeakPolarHBondContact O-CG2 3.22Å; K274-V278 PolarHBondContact O-N 3.37Å; K274-Y283 PolarHBondContact O-OH 3.24Å
275R84.7Confident82.1Confident158 Ų158103.9 Ų103.960%0.59651%0.505SS*.Hα-helixtrans-63.6-39177.7-69.9-171.5179.9-177.31.4111E271 L272 E273 A277 V278 W279 Y283E271-R275 WeakPolarHBondContact O-CG 3.44Å; E271-R275 PolarHBondContact O-N 3.42Å; E271-R275 IonicContact OE1-CZ 2.68Å; E271-R275 IonicContact OE1-NE 3.88Å; E271-R275 IonicContact OE1-NH2 3.96Å; E271-R275 PolarHBondContact OE1-NH2 2.99Å; L272-R275 PolarHBondContact O-N 2.84Å; E273-R275 VanDerWaalsContact C-N 3.28Å; R275-A277 PolarHBondContact O-N 3.48Å; R275-V278 PolarHBondContact O-N 2.83Å; R275-W279 WeakPolarHBondContact O-CB 2.9Å; R275-W279 PolarHBondContact O-N 3.22Å; R275-Y283 VanDerWaalsContact O-CZ 3.26Å; R275-Y283 PolarHBondContact O-OH 2.84Å
276F86.7Confident82.2Confident139 Ų139104.5 Ų104.561%0.6151%0.508SS*.Hα-helixtrans-69.9-35180-175.1-104.4000109.8L272 E273 K274 V278 W279 S280L272-F276 VanDerWaalsContact O-CB 3.26Å; L272-F276 WeakPolarHBondContact O-CB 3.09Å; L272-F276 PolarHBondContact O-N 3.47Å; E273-F276 PolarHBondContact O-N 3.25Å; K274-F276 PolarHBondContact O-N 2.68Å; F276-V278 VanDerWaalsContact C-N 3.26Å; F276-V278 PolarHBondContact O-N 3.49Å; F276-W279 PolarHBondContact O-N 3.05Å; F276-S280 WeakPolarHBondContact CD1-OG 3.25Å; F276-S280 WeakPolarHBondContact CE1-OG 1.37Å; F276-S280 WeakPolarHBondContact CZ-OG 3.45Å; F276-S280 VanDerWaalsContact O-CB 3.25Å; F276-S280 WeakPolarHBondContact O-CB 3.31Å; F276-S280 PolarHBondContact O-N 3.24Å; F276-S280 PolarHBondContact O-OG 3.38Å
277A86.1Confident82.2Confident38 Ų38101.2 Ų101.231%0.31450%0.497SS..Hα-helixtrans-64.2-43.4179.700000110.2E273 K274 R275 W279 S280 K281 Y283E273-A277 WeakPolarHBondContact O-CB 0.72Å; E273-A277 PolarHBondContact O-N 2.87Å; K274-A277 PolarHBondContact O-N 3.3Å; R275-A277 PolarHBondContact O-N 3.48Å; A277-W279 VanDerWaalsContact C-N 3.26Å; A277-S280 PolarHBondContact O-N 2.48Å; A277-K281 WeakPolarHBondContact O-CD 3.38Å; A277-K281 WeakPolarHBondContact O-CG 2.91Å; A277-K281 PolarHBondContact O-N 3.41Å; A277-Y283 WeakPolarHBondContact O-CE2 2.96Å
278V83.5Confident82.2Confident56 Ų56105 Ų10534%0.33950%0.503SS..Hα-helixtrans-66-38.7178.2175.70000109.9K274 R275 F276 S280 K281 Y283 V287K274-V278 VanDerWaalsContact O-CG2 3.24Å; K274-V278 WeakPolarHBondContact O-CG2 3.22Å; K274-V278 PolarHBondContact O-N 3.37Å; R275-V278 PolarHBondContact O-N 2.83Å; F276-V278 VanDerWaalsContact C-N 3.26Å; F276-V278 PolarHBondContact O-N 3.49Å; V278-S280 VanDerWaalsContact C-N 3.33Å; V278-K281 PolarHBondContact O-N 3.42Å; V278-Y283 CovalentContact CA-CE2 1.43Å; V278-Y283 CovalentContact CA-CZ 1.41Å; V278-Y283 WeakPolarHBondContact CA-OH 3.49Å; V278-Y283 HydrophobicContact CB-CD1 3.13Å; V278-Y283 HydrophobicContact CB-CD2 3.49Å; V278-Y283 VanDerWaalsContact CB-CD2 3.49Å; V278-Y283 HydrophobicContact CB-CE1 1.87Å; V278-Y283 HydrophobicContact CB-CE2 2.42Å; V278-Y283 HydrophobicContact CB-CG 3.76Å; V278-Y283 CovalentContact CB-CZ 1.22Å; V278-Y283 CovalentContact CB-OH 1.02Å; V278-Y283 WeakPolarHBondContact CB-OH 3.2Å; V278-Y283 HydrophobicContact CG1-CD1 2.16Å; V278-Y283 HydrophobicContact CG1-CD2 3.34Å; V278-Y283 CovalentContact CG1-CE1 1.33Å; V278-Y283 HydrophobicContact CG1-CE1 1.33Å; V278-Y283 HydrophobicContact CG1-CE2 2.88Å; V278-Y283 HydrophobicContact CG1-CG 3.06Å; V278-Y283 WeakPolarHBondContact CG1-OH 3.18Å; V278-Y283 HydrophobicContact CG2-CE1 3.29Å; V278-Y283 HydrophobicContact CG2-CE2 3.79Å; V278-Y283 WeakPolarHBondContact CG2-OH 3.41Å; V278-Y283 PolarHBondContact N-OH 2.76Å; V278-Y283 WeakPolarHBondContact O-CA 3.03Å; V278-Y283 WeakPolarHBondContact O-CB 3.01Å; V278-Y283 WeakPolarHBondContact O-CD1 1.02Å; V278-Y283 CovalentContact O-CD2 0.72Å; V278-Y283 WeakPolarHBondContact O-CD2 1.61Å; V278-Y283 WeakPolarHBondContact O-CE1 3.24Å; V278-Y283 WeakPolarHBondContact O-CE2 2.72Å; V278-V287 HydrophobicContact CG1-CG2 4.46Å
279W81.3Confident82.2Confident197 Ų197106.2 Ų106.275%0.74651%0.506SS*.Hα-helixtrans-68.3-39-179.6178.3-61.2000110.1R275 F276 A277 K281 G282 Y283R275-W279 WeakPolarHBondContact O-CB 2.9Å; R275-W279 PolarHBondContact O-N 3.22Å; F276-W279 PolarHBondContact O-N 3.05Å; A277-W279 VanDerWaalsContact C-N 3.26Å; W279-K281 VanDerWaalsContact C-N 3.26Å; W279-K281 PolarHBondContact O-N 3.27Å; W279-G282 PolarHBondContact O-N 2.69Å; W279-Y283 HydrophobicContact CB-CD2 3.67Å; W279-Y283 HydrophobicContact CB-CE2 3.74Å; W279-Y283 HydrophobicContact CB-CG 4.12Å; W279-Y283 CovalentContact N-CE2 1.33Å; W279-Y283 PolarHBondContact N-OH 3.41Å; W279-Y283 WeakPolarHBondContact O-CD2 1.92Å
280S80.1Confident82.4Confident67 Ų67106.8 Ų106.847%0.46951%0.509SS..Hα-helixtrans-70.9-25.8-176.1-650000110.4F276 A277 V278 G282 Y283F276-S280 WeakPolarHBondContact CD1-OG 3.25Å; F276-S280 WeakPolarHBondContact CE1-OG 1.37Å; F276-S280 WeakPolarHBondContact CZ-OG 3.45Å; F276-S280 VanDerWaalsContact O-CB 3.25Å; F276-S280 WeakPolarHBondContact O-CB 3.31Å; F276-S280 PolarHBondContact O-N 3.24Å; F276-S280 PolarHBondContact O-OG 3.38Å; A277-S280 PolarHBondContact O-N 2.48Å; V278-S280 VanDerWaalsContact C-N 3.33Å; S280-G282 PolarHBondContact O-N 3.04Å; S280-Y283 VanDerWaalsContact N-CD2 3.33Å
281K74.6Confident82.5Confident115 Ų115106.5 Ų106.550%0.551%0.507SS..THydrogen-bonded Turntrans-79.50-176.5-69.9178-177.5178.20111.3A277 V278 W279 Y283 Q286A277-K281 WeakPolarHBondContact O-CD 3.38Å; A277-K281 WeakPolarHBondContact O-CG 2.91Å; A277-K281 PolarHBondContact O-N 3.41Å; V278-K281 PolarHBondContact O-N 3.42Å; W279-K281 VanDerWaalsContact C-N 3.26Å; W279-K281 PolarHBondContact O-N 3.27Å; K281-Y283 HydrophobicContact CB-CD2 4.41Å; K281-Q286 PolarHBondContact O-OE1 3.44Å
282G66.7Low82.7Confident57 Ų57104.2 Ų104.259%0.58850%0.503SS*.THydrogen-bonded Turn00000000111.4W279 S280W279-G282 PolarHBondContact O-N 2.69Å; S280-G282 PolarHBondContact O-N 3.04Å
283Y56.7Low83Confident51 Ų51105.1 Ų105.120%0.250%0.502CS..THydrogen-bonded Turn000-132.2-94.4000109.7K274 R275 A277 V278 W279 S280 K281K274-Y283 PolarHBondContact O-OH 3.24Å; R275-Y283 VanDerWaalsContact O-CZ 3.26Å; R275-Y283 PolarHBondContact O-OH 2.84Å; A277-Y283 WeakPolarHBondContact O-CE2 2.96Å; V278-Y283 CovalentContact CA-CE2 1.43Å; V278-Y283 CovalentContact CA-CZ 1.41Å; V278-Y283 WeakPolarHBondContact CA-OH 3.49Å; V278-Y283 HydrophobicContact CB-CD1 3.13Å; V278-Y283 HydrophobicContact CB-CD2 3.49Å; V278-Y283 VanDerWaalsContact CB-CD2 3.49Å; V278-Y283 HydrophobicContact CB-CE1 1.87Å; V278-Y283 HydrophobicContact CB-CE2 2.42Å; V278-Y283 HydrophobicContact CB-CG 3.76Å; V278-Y283 CovalentContact CB-CZ 1.22Å; V278-Y283 CovalentContact CB-OH 1.02Å; V278-Y283 WeakPolarHBondContact CB-OH 3.2Å; V278-Y283 HydrophobicContact CG1-CD1 2.16Å; V278-Y283 HydrophobicContact CG1-CD2 3.34Å; V278-Y283 CovalentContact CG1-CE1 1.33Å; V278-Y283 HydrophobicContact CG1-CE1 1.33Å; V278-Y283 HydrophobicContact CG1-CE2 2.88Å; V278-Y283 HydrophobicContact CG1-CG 3.06Å; V278-Y283 WeakPolarHBondContact CG1-OH 3.18Å; V278-Y283 HydrophobicContact CG2-CE1 3.29Å; V278-Y283 HydrophobicContact CG2-CE2 3.79Å; V278-Y283 WeakPolarHBondContact CG2-OH 3.41Å; V278-Y283 PolarHBondContact N-OH 2.76Å; V278-Y283 WeakPolarHBondContact O-CA 3.03Å; V278-Y283 WeakPolarHBondContact O-CB 3.01Å; V278-Y283 WeakPolarHBondContact O-CD1 1.02Å; V278-Y283 CovalentContact O-CD2 0.72Å; V278-Y283 WeakPolarHBondContact O-CD2 1.61Å; V278-Y283 WeakPolarHBondContact O-CE1 3.24Å; V278-Y283 WeakPolarHBondContact O-CE2 2.72Å; W279-Y283 HydrophobicContact CB-CD2 3.67Å; W279-Y283 HydrophobicContact CB-CE2 3.74Å; W279-Y283 HydrophobicContact CB-CG 4.12Å; W279-Y283 CovalentContact N-CE2 1.33Å; W279-Y283 PolarHBondContact N-OH 3.41Å; W279-Y283 WeakPolarHBondContact O-CD2 1.92Å; S280-Y283 VanDerWaalsContact N-CD2 3.33Å; K281-Y283 HydrophobicContact CB-CD2 4.41Å
284V68.4Low83.3Confident75 Ų75104.3 Ų104.346%0.45550%0.501SS..THydrogen-bonded Turn000175.10000108.2K288V284-K288 HydrophobicContact CG1-CD 3.3Å; V284-K288 HydrophobicContact CG1-CG 3.81Å; V284-K288 WeakPolarHBondContact O-CA 2.52Å; V284-K288 WeakPolarHBondContact O-CB 3.38Å; V284-K288 WeakPolarHBondContact O-CD 3.48Å; V284-K288 WeakPolarHBondContact O-CG 3.4Å; V284-K288 PolarHBondContact O-N 3.04Å
285K76.9Confident83.7Confident147 Ų147103.2 Ų103.264%0.63950%0.498SS*.Hα-helix0-340-76.7-171.9-176.1-175.80110.7K288 E289K285-K288 PolarHBondContact O-N 3.44Å; K285-E289 WeakPolarHBondContact O-CA 3.31Å; K285-E289 WeakPolarHBondContact O-CB 3.41Å; K285-E289 WeakPolarHBondContact O-CG 3.08Å; K285-E289 PolarHBondContact O-N 3.23Å
286Q84.5Confident84.1Confident121 Ų121101.1 Ų101.157%0.56550%0.495SS*.Hα-helixtrans-73.70-178.1-70.317911.900110.6K281 K288 E289 R290K281-Q286 PolarHBondContact O-OE1 3.44Å; Q286-K288 VanDerWaalsContact C-N 3.3Å; Q286-E289 PolarHBondContact O-N 2.77Å; Q286-R290 VanDerWaalsContact O-CB 3.32Å; Q286-R290 WeakPolarHBondContact O-CB 3.19Å; Q286-R290 PolarHBondContact O-N 3.4Å
287V85.5Confident84.6Confident38 Ų3898.5 Ų98.523%0.2349%0.486CS..Hα-helix0-42.10172.50000109.7V278 E289 R290 E291V278-V287 HydrophobicContact CG1-CG2 4.46Å; V287-E289 PolarHBondContact O-N 3.39Å; V287-R290 WeakPolarHBondContact O-CB 3.39Å; V287-R290 PolarHBondContact O-N 3.08Å; V287-R290 VanDerWaalsContact O-N 3.13Å; V287-E291 HydrophobicContact CG1-CG 4.28Å; V287-E291 WeakPolarHBondContact O-CB 3.23Å; V287-E291 VanDerWaalsContact O-CG 3.26Å; V287-E291 WeakPolarHBondContact O-CG 3.4Å; V287-E291 PolarHBondContact O-N 3.38Å
288K87.9Confident85Confident132 Ų13299 Ų9957%0.57449%0.49SS*.Hα-helixtrans-64-39.8179.5-74.1-175.6-177.9174.70110.9V284 K285 Q286 R290 E291 A292V284-K288 HydrophobicContact CG1-CD 3.3Å; V284-K288 HydrophobicContact CG1-CG 3.81Å; V284-K288 WeakPolarHBondContact O-CA 2.52Å; V284-K288 WeakPolarHBondContact O-CB 3.38Å; V284-K288 WeakPolarHBondContact O-CD 3.48Å; V284-K288 WeakPolarHBondContact O-CG 3.4Å; V284-K288 PolarHBondContact O-N 3.04Å; K285-K288 PolarHBondContact O-N 3.44Å; Q286-K288 VanDerWaalsContact C-N 3.3Å; K288-R290 PolarHBondContact O-N 2.87Å; K288-E291 PolarHBondContact O-N 3.07Å; K288-A292 VanDerWaalsContact O-CB 3.27Å; K288-A292 WeakPolarHBondContact O-CB 2.59Å; K288-A292 PolarHBondContact O-N 2.9Å
289E90Very high85.4Confident129 Ų129102.3 Ų102.360%0.60350%0.5SS*.Hα-helixtrans-66.6-37.6-179.7-75177.5178.300110.2K285 Q286 V287 A292 K293K285-E289 WeakPolarHBondContact O-CA 3.31Å; K285-E289 WeakPolarHBondContact O-CB 3.41Å; K285-E289 WeakPolarHBondContact O-CG 3.08Å; K285-E289 PolarHBondContact O-N 3.23Å; Q286-E289 PolarHBondContact O-N 2.77Å; V287-E289 PolarHBondContact O-N 3.39Å; E289-A292 PolarHBondContact O-N 2.85Å; E289-K293 WeakPolarHBondContact O-CB 3.27Å; E289-K293 PolarHBondContact O-N 3.41Å
290R90.2Very high85.9Confident158 Ų15897.8 Ų97.860%0.59649%0.487SS*.Hα-helixtrans-65.6-46.3179.7-177.2-175.8-178.9160.8-0.3110.2Q286 V287 K288 A292 K293 L294Q286-R290 VanDerWaalsContact O-CB 3.32Å; Q286-R290 WeakPolarHBondContact O-CB 3.19Å; Q286-R290 PolarHBondContact O-N 3.4Å; V287-R290 WeakPolarHBondContact O-CB 3.39Å; V287-R290 PolarHBondContact O-N 3.08Å; V287-R290 VanDerWaalsContact O-N 3.13Å; K288-R290 PolarHBondContact O-N 2.87Å; R290-A292 PolarHBondContact O-N 2.65Å; R290-K293 WeakPolarHBondContact O-CB 2.62Å; R290-K293 PolarHBondContact O-N 2.29Å; R290-K293 VanDerWaalsContact O-N 3.13Å; R290-L294 WeakPolarHBondContact O-CG 3.5Å; R290-L294 PolarHBondContact O-N 2.93Å
291E92.9Very high86.6Confident106 Ų106101.3 Ų101.350%0.49550%0.499SS..Hα-helixtrans-59.2-42.8177.4-71.417717500111.5V287 K288 K293 L294 E295V287-E291 HydrophobicContact CG1-CG 4.28Å; V287-E291 WeakPolarHBondContact O-CB 3.23Å; V287-E291 VanDerWaalsContact O-CG 3.26Å; V287-E291 WeakPolarHBondContact O-CG 3.4Å; V287-E291 PolarHBondContact O-N 3.38Å; K288-E291 PolarHBondContact O-N 3.07Å; E291-K293 PolarHBondContact O-N 2.93Å; E291-L294 PolarHBondContact O-N 2.88Å; E291-E295 VanDerWaalsContact O-CG 3.32Å; E291-E295 WeakPolarHBondContact O-CG 2.83Å; E291-E295 PolarHBondContact O-N 3.43Å
292A94.4Very high87.4Confident39 Ų39103.8 Ų103.832%0.32251%0.513SS..Hα-helixtrans-63.7-37.5179.300000110.4K288 E289 R290 L294 E295 E296K288-A292 VanDerWaalsContact O-CB 3.27Å; K288-A292 WeakPolarHBondContact O-CB 2.59Å; K288-A292 PolarHBondContact O-N 2.9Å; E289-A292 PolarHBondContact O-N 2.85Å; R290-A292 PolarHBondContact O-N 2.65Å; A292-L294 VanDerWaalsContact C-N 3.31Å; A292-L294 PolarHBondContact O-N 2.76Å; A292-E295 PolarHBondContact O-N 3.41Å; A292-E296 WeakPolarHBondContact O-CG 3.3Å; A292-E296 PolarHBondContact O-N 3.13Å
293K94.5Very high88.6Confident131 Ų131104 Ų10457%0.5750%0.497SS*.Hα-helixtrans-66.7-41.4179.4-171.7175.3178.7176.20110.3E289 R290 E291 E295 E296 M297E289-K293 WeakPolarHBondContact O-CB 3.27Å; E289-K293 PolarHBondContact O-N 3.41Å; R290-K293 WeakPolarHBondContact O-CB 2.62Å; R290-K293 PolarHBondContact O-N 2.29Å; R290-K293 VanDerWaalsContact O-N 3.13Å; E291-K293 PolarHBondContact O-N 2.93Å; K293-E295 PolarHBondContact O-N 3.35Å; K293-E296 PolarHBondContact O-N 3.03Å; K293-M297 VanDerWaalsContact O-CG 3.28Å; K293-M297 WeakPolarHBondContact O-CG 3.4Å; K293-M297 PolarHBondContact O-N 2.94Å
294L96.3Very high90.4Very high93 Ų93106 Ų10649%0.48752%0.517SS..Hα-helixtrans-63.3-39.9179.1-73.9178.3000111R290 E291 A292 E296 M297 A298R290-L294 WeakPolarHBondContact O-CG 3.5Å; R290-L294 PolarHBondContact O-N 2.93Å; E291-L294 PolarHBondContact O-N 2.88Å; A292-L294 VanDerWaalsContact C-N 3.31Å; A292-L294 PolarHBondContact O-N 2.76Å; L294-E296 VanDerWaalsContact C-N 3.26Å; L294-E296 PolarHBondContact O-N 3.46Å; L294-M297 HydrophobicContact CB-CE 4.34Å; L294-M297 HydrophobicContact CD2-CE 2.99Å; L294-M297 HydrophobicContact CG-CE 4.03Å; L294-M297 PolarHBondContact O-N 3.48Å; L294-A298 PolarHBondContact O-N 3.43Å
295E96.1Very high91.5Very high120 Ų120111.4 Ų111.456%0.56154%0.542SS*.Hα-helixtrans-64.7-41.4177.7-72.2175.3-176.800111.1E291 A292 K293 M297 A298 K299E291-E295 VanDerWaalsContact O-CG 3.32Å; E291-E295 WeakPolarHBondContact O-CG 2.83Å; E291-E295 PolarHBondContact O-N 3.43Å; A292-E295 PolarHBondContact O-N 3.41Å; K293-E295 PolarHBondContact O-N 3.35Å; E295-M297 PolarHBondContact O-N 3.44Å; E295-A298 PolarHBondContact O-N 2.71Å; E295-K299 WeakPolarHBondContact O-CG 3.08Å; E295-K299 PolarHBondContact O-N 2.94Å
296E93.6Very high92.3Very high115 Ų115106.9 Ų106.954%0.53753%0.532SS..Hα-helixtrans-63.8-38.7178.3-73.1176.9-176.900110.8A292 K293 L294 A298 K299 E300A292-E296 WeakPolarHBondContact O-CG 3.3Å; A292-E296 PolarHBondContact O-N 3.13Å; K293-E296 PolarHBondContact O-N 3.03Å; L294-E296 VanDerWaalsContact C-N 3.26Å; L294-E296 PolarHBondContact O-N 3.46Å; E296-A298 VanDerWaalsContact C-N 3.3Å; E296-A298 PolarHBondContact O-N 3.35Å; E296-K299 WeakPolarHBondContact O-CB 3.43Å; E296-K299 PolarHBondContact O-N 3.4Å; E296-E300 WeakPolarHBondContact O-CB 3.43Å; E296-E300 PolarHBondContact O-N 2.87Å
297M96.5Very high92.6Very high83 Ų83108.5 Ų108.541%0.40953%0.533SS..Hα-helixtrans-64.6-41.9179.2-73.6-168.1-69.800110.3K293 L294 E295 K299 E300 I301K293-M297 VanDerWaalsContact O-CG 3.28Å; K293-M297 WeakPolarHBondContact O-CG 3.4Å; K293-M297 PolarHBondContact O-N 2.94Å; L294-M297 HydrophobicContact CB-CE 4.34Å; L294-M297 HydrophobicContact CD2-CE 2.99Å; L294-M297 HydrophobicContact CG-CE 4.03Å; L294-M297 PolarHBondContact O-N 3.48Å; E295-M297 PolarHBondContact O-N 3.44Å; M297-K299 PolarHBondContact O-N 3.49Å; M297-E300 PolarHBondContact O-N 3.23Å; M297-E300 VanDerWaalsContact O-N 3.08Å; M297-I301 WeakPolarHBondContact O-CG1 2.82Å; M297-I301 PolarHBondContact O-N 3.46Å
298A95.6Very high93Very high49 Ų49114.9 Ų114.941%0.40555%0.554SS.*Hα-helixtrans-59-39.3177.700000111.3L294 E295 E296 E300 I301L294-A298 PolarHBondContact O-N 3.43Å; E295-A298 PolarHBondContact O-N 2.71Å; E296-A298 VanDerWaalsContact C-N 3.3Å; E296-A298 PolarHBondContact O-N 3.35Å; A298-E300 VanDerWaalsContact C-N 3.25Å; A298-E300 PolarHBondContact O-N 3.18Å; A298-I301 PolarHBondContact O-N 2.56Å
299K91.4Very high93.2Very high126 Ų126113.7 Ų113.755%0.54857%0.569SS.*Hα-helixtrans-70.4-34.1178.4-69.5179.8-176.81770110.9E295 E296 M297 I301 E302 K303E295-K299 WeakPolarHBondContact O-CG 3.08Å; E295-K299 PolarHBondContact O-N 2.94Å; E296-K299 WeakPolarHBondContact O-CB 3.43Å; E296-K299 PolarHBondContact O-N 3.4Å; M297-K299 PolarHBondContact O-N 3.49Å; K299-I301 PolarHBondContact O-N 3.47Å; K299-E302 PolarHBondContact O-N 3.32Å; K299-K303 VanDerWaalsContact O-CG 3.25Å; K299-K303 WeakPolarHBondContact O-CG 3.26Å; K299-K303 PolarHBondContact O-N 3.44Å
300E91.4Very high93.3Very high101 Ų101110.5 Ų110.547%0.47257%0.571SS.*Hα-helixtrans-72-31.7-177.5-112.295.9-162.400110.8E296 M297 A298 E302 K303E296-E300 WeakPolarHBondContact O-CB 3.43Å; E296-E300 PolarHBondContact O-N 2.87Å; M297-E300 PolarHBondContact O-N 3.23Å; M297-E300 VanDerWaalsContact O-N 3.08Å; A298-E300 VanDerWaalsContact C-N 3.25Å; A298-E300 PolarHBondContact O-N 3.18Å; E300-E302 PolarHBondContact O-N 3.27Å; E300-K303 PolarHBondContact O-N 3.35Å; E300-K303 VanDerWaalsContact O-N 3.12Å; E300-K303 IonicContact OE1-NZ 3.89Å
301I94.5Very high93.4Very high141 Ų141104.5 Ų104.572%0.72355%0.551SS**Hα-helixtrans-65.4-29.8179.7-69.9171.8000109.2M297 A298 K299 K303M297-I301 WeakPolarHBondContact O-CG1 2.82Å; M297-I301 PolarHBondContact O-N 3.46Å; A298-I301 PolarHBondContact O-N 2.56Å; K299-I301 PolarHBondContact O-N 3.47Å; I301-K303 VanDerWaalsContact C-N 3.26Å; I301-K303 PolarHBondContact O-N 2.78Å
302E91.9Very high93.4Very high168 Ų168106.8 Ų106.879%0.78556%0.561SS**Hα-helixtrans-80.9-13.4-178-68.9175.4-177.200111K299 E300K299-E302 PolarHBondContact O-N 3.32Å; E300-E302 PolarHBondContact O-N 3.27Å
303K91.6Very high93.3Very high60 Ų60108.2 Ų108.226%0.26156%0.563SS.*SBendtrans-88.9151.5-175.4-65.8175.7-176.5173.10109.8K299 E300 I301 D313K299-K303 VanDerWaalsContact O-CG 3.25Å; K299-K303 WeakPolarHBondContact O-CG 3.26Å; K299-K303 PolarHBondContact O-N 3.44Å; E300-K303 PolarHBondContact O-N 3.35Å; E300-K303 VanDerWaalsContact O-N 3.12Å; E300-K303 IonicContact OE1-NZ 3.89Å; I301-K303 VanDerWaalsContact C-N 3.26Å; I301-K303 PolarHBondContact O-N 2.78Å; K303-D313 WeakPolarHBondContact CE-OD2 3.45Å; K303-D313 IonicContact NZ-OD2 2.09Å; K303-D313 PolarHBondContact NZ-OD2 3.36Å
304P93.5Very high93.1Very high95 Ų95104.6 Ų104.662%0.61755%0.55SS**  trans-66.9152.617729.2-34.8000111.9A306P304-A306 PolarHBondContact O-N 3.42Å
305L92.7Very high93.1Very high188 Ų188106.4 Ų106.498%0.98456%0.556SS**SBendtrans-52.20-173.3177.960.4000111.2
306A93Very high93Very high52 Ų52103.7 Ų103.743%0.4355%0.554SS.*SBend0140.6000000110P304P304-A306 PolarHBondContact O-N 3.42Å
307R92Very high93Very high155 Ų155103 Ų10359%0.58555%0.551SS**  trans-85.20172.8-64.1177.176156.1-0.8109.9D311R307-D311 IonicContact NE-OD2 3.59Å
308Y92.8Very high92.9Very high171 Ų171103.3 Ų103.367%0.67155%0.553SS**  0167.20-70.4-78.7000110.1G310 D311Y308-G310 PolarHBondContact O-N 3.3Å; Y308-G310 VanDerWaalsContact O-N 3.13Å; Y308-D311 WeakPolarHBondContact O-CB 3.46Å; Y308-D311 PolarHBondContact O-N 3.3Å; Y308-D311 VanDerWaalsContact O-N 3.16Å
309A92Very high92.8Very high108 Ų108109.9 Ų109.989%0.89357%0.573SS**THydrogen-bonded Turntrans-55.60179.900000111
310G91.5Very high92.8Very high62 Ų62107.4 Ų107.464%0.63957%0.571SS**THydrogen-bonded Turn016.2000000111.9Y308 E312Y308-G310 PolarHBondContact O-N 3.3Å; Y308-G310 VanDerWaalsContact O-N 3.13Å; G310-E312 PolarHBondContact O-N 3.48Å
311D93Very high92.9Very high32 Ų32106.2 Ų106.217%0.17157%0.566CS.*  trans-68.6121.7179.2-153.9-0.6000111.1R307 Y308 D313 L314 E315R307-D311 IonicContact NE-OD2 3.59Å; Y308-D311 WeakPolarHBondContact O-CB 3.46Å; Y308-D311 PolarHBondContact O-N 3.3Å; Y308-D311 VanDerWaalsContact O-N 3.16Å; D311-D313 VanDerWaalsContact C-N 3.26Å; D311-D313 PolarHBondContact O-N 2.96Å; D311-L314 HydrophobicContact CB-CB 4.07Å; D311-E315 PolarHBondContact O-N 3.13Å
312E92.6Very high92.8Very high154 Ų154102 Ų10272%0.7254%0.544SS*.Hα-helixtrans-65.7-38.2-174.9-67177-179.600110.9G310 L314 E315 A316G310-E312 PolarHBondContact O-N 3.48Å; E312-L314 VanDerWaalsContact C-N 3.33Å; E312-L314 PolarHBondContact O-N 2.78Å; E312-E315 PolarHBondContact O-N 3.23Å; E312-A316 WeakPolarHBondContact O-CB 3.32Å; E312-A316 PolarHBondContact O-N 2.93Å
313D92.2Very high92.9Very high68 Ų68101.1 Ų101.136%0.36454%0.535SS..Hα-helixtrans-65.4-43.4-178-72.5-6.8000111K303 D311 E315 A316 H317K303-D313 WeakPolarHBondContact CE-OD2 3.45Å; K303-D313 IonicContact NZ-OD2 2.09Å; K303-D313 PolarHBondContact NZ-OD2 3.36Å; D311-D313 VanDerWaalsContact C-N 3.26Å; D311-D313 PolarHBondContact O-N 2.96Å; D313-E315 VanDerWaalsContact C-N 3.3Å; D313-A316 PolarHBondContact O-N 3.25Å; D313-H317 PolarHBondContact O-N 3.37Å
314L91.5Very high93.1Very high56 Ų56105.6 Ų105.629%0.29356%0.557SS.*Hα-helixtrans-63.8-43.5178.7177.762.5000110.9D311 E312 A316 H317 L318D311-L314 HydrophobicContact CB-CB 4.07Å; E312-L314 VanDerWaalsContact C-N 3.33Å; E312-L314 PolarHBondContact O-N 2.78Å; L314-A316 VanDerWaalsContact C-N 3.29Å; L314-A316 PolarHBondContact O-N 2.91Å; L314-H317 PolarHBondContact O-N 2.95Å; L314-L318 HydrophobicContact CD1-CD1 4.44Å; L314-L318 HydrophobicContact CD1-CG 4.36Å; L314-L318 HydrophobicContact CG-CD1 4.21Å; L314-L318 WeakPolarHBondContact O-CG 3.34Å; L314-L318 PolarHBondContact O-N 2.78Å
315E95.3Very high93.1Very high131 Ų131108.7 Ų108.761%0.61257%0.568SS**Hα-helixtrans-62.5-42.5179.8-171169-177.100111.1D311 E312 D313 H317 L318 K319D311-E315 PolarHBondContact O-N 3.13Å; E312-E315 PolarHBondContact O-N 3.23Å; D313-E315 VanDerWaalsContact C-N 3.3Å; E315-H317 VanDerWaalsContact C-N 3.3Å; E315-H317 PolarHBondContact O-N 3.36Å; E315-L318 PolarHBondContact O-N 2.8Å; E315-K319 WeakPolarHBondContact O-CB 3.4Å; E315-K319 PolarHBondContact O-N 3.47Å
316A94.7Very high93.3Very high62 Ų62103.1 Ų103.151%0.51254%0.539SS..Hα-helixtrans-61-42.5177.700000111.2E312 D313 L314 K319 S320E312-A316 WeakPolarHBondContact O-CB 3.32Å; E312-A316 PolarHBondContact O-N 2.93Å; D313-A316 PolarHBondContact O-N 3.25Å; L314-A316 VanDerWaalsContact C-N 3.29Å; L314-A316 PolarHBondContact O-N 2.91Å; A316-K319 PolarHBondContact O-N 3.42Å; A316-S320 PolarHBondContact O-N 3.19Å; A316-S320 VanDerWaalsContact O-N 3.08Å
317H92.9Very high93.4Very high102 Ų102106.9 Ų106.947%0.47256%0.559SS.*Hα-helixtrans-63.7-42.5179.8178.1-108.8000111D313 L314 E315 K319 S320 Q321D313-H317 PolarHBondContact O-N 3.37Å; L314-H317 PolarHBondContact O-N 2.95Å; E315-H317 VanDerWaalsContact C-N 3.3Å; E315-H317 PolarHBondContact O-N 3.36Å; H317-K319 PolarHBondContact O-N 3.45Å; H317-S320 PolarHBondContact O-N 3.32Å; H317-S320 PolarHBondContact O-OG 3.02Å; H317-Q321 PolarHBondContact CE1-NE2 3.31Å; H317-Q321 PolarHBondContact O-N 3.34Å
318L93.8Very high93.6Very high89 Ų89103.8 Ų103.847%0.46655%0.552SS.*Hα-helixtrans-69-33.8-178.4-70.7177.7000110.6L314 E315 S320 Q321L314-L318 HydrophobicContact CD1-CD1 4.44Å; L314-L318 HydrophobicContact CD1-CG 4.36Å; L314-L318 HydrophobicContact CG-CD1 4.21Å; L314-L318 WeakPolarHBondContact O-CG 3.34Å; L314-L318 PolarHBondContact O-N 2.78Å; E315-L318 PolarHBondContact O-N 2.8Å; L318-S320 PolarHBondContact O-N 3.36Å; L318-Q321 PolarHBondContact O-N 3.18Å
319K93.4Very high93.7Very high187 Ų18797.9 Ų97.981%0.81353%0.53SS*.Hα-helixtrans-69.5-30177.9-169.5172.5180175.90111.1E315 A316 H317 Q321E315-K319 WeakPolarHBondContact O-CB 3.4Å; E315-K319 PolarHBondContact O-N 3.47Å; A316-K319 PolarHBondContact O-N 3.42Å; H317-K319 PolarHBondContact O-N 3.45Å; K319-Q321 VanDerWaalsContact C-N 3.31Å; K319-Q321 PolarHBondContact O-N 3Å
320S92.5Very high93.9Very high73 Ų7399.6 Ų99.651%0.5152%0.519SS..Hα-helixtrans-76.4-20.3-178.767.80000111A316 H317 L318 L322A316-S320 PolarHBondContact O-N 3.19Å; A316-S320 VanDerWaalsContact O-N 3.08Å; H317-S320 PolarHBondContact O-N 3.32Å; H317-S320 PolarHBondContact O-OG 3.02Å; L318-S320 PolarHBondContact O-N 3.36Å; S320-L322 PolarHBondContact O-N 3.49Å
321Q93.6Very high94.1Very high77 Ų77102.5 Ų102.536%0.3651%0.512SS..PPolyproline II helixtrans-72.5124.7-178.4-71-177.6-11.200110.5H317 L318 K319H317-Q321 PolarHBondContact CE1-NE2 3.31Å; H317-Q321 PolarHBondContact O-N 3.34Å; L318-Q321 PolarHBondContact O-N 3.18Å; K319-Q321 VanDerWaalsContact C-N 3.31Å; K319-Q321 PolarHBondContact O-N 3Å
322L93.2Very high94.1Very high52 Ų52103.1 Ų103.127%0.27251%0.514SS..PPolyproline II helixtrans-96.2129.6178.2-67.1171.3000109.8S320 Y329 M332 M333S320-L322 PolarHBondContact O-N 3.49Å; L322-Y329 HydrophobicContact CB-CD2 3.96Å; L322-Y329 HydrophobicContact CB-CE2 3.88Å; L322-M332 HydrophobicContact CD1-CB 4.17Å; L322-M332 HydrophobicContact CD1-CG 4.37Å; L322-M332 HydrophobicContact CD2-CB 3.59Å; L322-M332 HydrophobicContact CD2-CG 3.36Å; L322-M332 HydrophobicContact CG-CG 4.49Å; L322-M333 HydrophobicContact CD1-CG 4.15Å; L322-M333 HydrophobicContact CD1-SD 3.6Å
323Y93.7Very high94.1Very high149 Ų14999.3 Ų99.358%0.58450%0.497SS*.PPolyproline II helixtrans-100140.5-179.8-72-71.5000110D325 D326 Y329Y323-D325 PolarHBondContact O-N 3.31Å; Y323-D326 PolarHBondContact O-N 2.96Å; Y323-Y329 WeakPolarHBondContact O-CB 3.27Å; Y323-Y329 WeakPolarHBondContact O-CD2 3.39Å; Y323-Y329 VanDerWaalsContact O-CG 3.29Å
324E94.3Very high94.2Very high154 Ų154102.5 Ų102.572%0.7250%0.504SS*.THydrogen-bonded Turntrans-70.1-18.7-174.4-45.9174.9-175.800110.4D326 Y329E324-D326 VanDerWaalsContact C-N 3.31Å; E324-D326 PolarHBondContact O-N 3.45Å; E324-Y329 HydrophobicContact CG-CE2 4.25Å
325D94.9Very high94.3Very high160 Ų160104.2 Ų104.286%0.85651%0.509SS*.THydrogen-bonded Turntrans-91.72.5-174.8-65.9-29.1000110.7Y323Y323-D325 PolarHBondContact O-N 3.31Å
326D95.5Very high94.2Very high72 Ų72105.3 Ų105.339%0.38551%0.507SS..SBendtrans-83131.1178.1-174.6-5.4000111Y323 E324 M328 Y329Y323-D326 PolarHBondContact O-N 2.96Å; E324-D326 VanDerWaalsContact C-N 3.31Å; E324-D326 PolarHBondContact O-N 3.45Å; D326-M328 PolarHBondContact O-N 2.97Å; D326-M328 PolarHBondContact OD1-N 2.91Å; D326-Y329 WeakPolarHBondContact O-CB 3.34Å; D326-Y329 PolarHBondContact O-N 3.32Å
327P96.9Very high94Very high131 Ų131112.2 Ų112.285%0.85152%0.52SS*.THydrogen-bonded Turntrans-58.6-22.4179.8-23.228.2000111.8Y329P327-Y329 VanDerWaalsContact C-N 3.32Å
328M95.1Very high93.9Very high89 Ų89115.8 Ų115.844%0.43853%0.53SS..THydrogen-bonded Turntrans-94.57.6-179-166.4168.753.400110.8D326 E330 Y331 M332D326-M328 PolarHBondContact O-N 2.97Å; D326-M328 PolarHBondContact OD1-N 2.91Å; M328-E330 VanDerWaalsContact C-N 3.34Å; M328-E330 PolarHBondContact O-N 3.49Å; M328-Y331 HydrophobicContact CG-CD1 4.01Å; M328-Y331 PolarHBondContact O-N 3.5Å; M328-Y331 HydrophobicContact SD-CD1 4.49Å; M328-M332 HydrophobicContact CB-CE 4.31Å; M328-M332 HydrophobicContact CE-CE 2.7Å; M328-M332 HydrophobicContact CG-CE 3.39Å; M328-M332 PolarHBondContact O-N 3.42Å; M328-M332 HydrophobicContact SD-CE 3.1Å; M328-M332 WeakPolarHBondContact SD-CE 3.43Å
329Y95.6Very high93.8Very high48 Ų48117.4 Ų117.419%0.18854%0.535CS..Hα-helixtrans-59.9-45.3-173.9175.6-105.2000111.2L322 Y323 E324 D326 P327 Y331 M332 M333L322-Y329 HydrophobicContact CB-CD2 3.96Å; L322-Y329 HydrophobicContact CB-CE2 3.88Å; Y323-Y329 WeakPolarHBondContact O-CB 3.27Å; Y323-Y329 WeakPolarHBondContact O-CD2 3.39Å; Y323-Y329 VanDerWaalsContact O-CG 3.29Å; E324-Y329 HydrophobicContact CG-CE2 4.25Å; D326-Y329 WeakPolarHBondContact O-CB 3.34Å; D326-Y329 PolarHBondContact O-N 3.32Å; P327-Y329 VanDerWaalsContact C-N 3.32Å; Y329-Y331 VanDerWaalsContact C-N 3.35Å; Y329-Y331 PolarHBondContact O-N 3.49Å; Y329-M332 PolarHBondContact O-N 2.93Å; Y329-M333 HydrophobicContact CD1-CG 4.28Å; Y329-M333 HydrophobicContact CD2-CG 4.27Å; Y329-M333 HydrophobicContact CE1-CG 3.88Å; Y329-M333 HydrophobicContact CE2-CG 3.88Å; Y329-M333 HydrophobicContact CE2-SD 4.34Å; Y329-M333 HydrophobicContact CG-CG 4.46Å; Y329-M333 WeakPolarHBondContact O-CB 3.49Å; Y329-M333 WeakPolarHBondContact O-CG 3.41Å; Y329-M333 PolarHBondContact O-N 2.85Å
330E95.6Very high93.5Very high144 Ų144114 Ų11467%0.67353%0.526SS*.Hα-helixtrans-67-44-176-69.4-71.7157.100110.8M328 M332 M333 R334M328-E330 VanDerWaalsContact C-N 3.34Å; M328-E330 PolarHBondContact O-N 3.49Å; E330-M332 VanDerWaalsContact C-N 3.29Å; E330-M333 PolarHBondContact O-N 3.46Å; E330-R334 PolarHBondContact O-N 3.3Å
331Y95.3Very high93.3Very high123 Ų123115.6 Ų115.648%0.48253%0.534SS..Hα-helixtrans-60.3-45.4179.5171.1-103.6000110.9M328 Y329 M333 R334 K335M328-Y331 HydrophobicContact CG-CD1 4.01Å; M328-Y331 PolarHBondContact O-N 3.5Å; M328-Y331 HydrophobicContact SD-CD1 4.49Å; Y329-Y331 VanDerWaalsContact C-N 3.35Å; Y329-Y331 PolarHBondContact O-N 3.49Å; Y331-M333 VanDerWaalsContact C-N 3.33Å; Y331-M333 PolarHBondContact O-N 3.18Å; Y331-R334 PolarHBondContact O-N 3.46Å; Y331-K335 HydrophobicContact CE1-CD 4.45Å; Y331-K335 WeakPolarHBondContact O-CB 3.15Å; Y331-K335 PolarHBondContact O-N 3.22Å
332M93.9Very high92.7Very high45 Ų45114.5 Ų114.522%0.22254%0.543CS..Hα-helixtrans-66.5-38-177.6-140.761.873.200110.8L322 M328 Y329 E330 R334 K335 R336L322-M332 HydrophobicContact CD1-CB 4.17Å; L322-M332 HydrophobicContact CD1-CG 4.37Å; L322-M332 HydrophobicContact CD2-CB 3.59Å; L322-M332 HydrophobicContact CD2-CG 3.36Å; L322-M332 HydrophobicContact CG-CG 4.49Å; M328-M332 HydrophobicContact CB-CE 4.31Å; M328-M332 HydrophobicContact CE-CE 2.7Å; M328-M332 HydrophobicContact CG-CE 3.39Å; M328-M332 PolarHBondContact O-N 3.42Å; M328-M332 HydrophobicContact SD-CE 3.1Å; M328-M332 WeakPolarHBondContact SD-CE 3.43Å; Y329-M332 PolarHBondContact O-N 2.93Å; E330-M332 VanDerWaalsContact C-N 3.29Å; M332-R334 VanDerWaalsContact C-N 3.34Å; M332-K335 WeakPolarHBondContact O-CB 3.38Å; M332-K335 PolarHBondContact O-N 3.25Å; M332-K335 HydrophobicContact SD-CD 4.5Å; M332-R336 PolarHBondContact O-N 2.89Å
333M92.7Very high92.3Very high73 Ų73116.4 Ų116.436%0.3656%0.559SS.*Hα-helixtrans-63.1-44.6177.5-79.9-62.6-97.100110.7L322 Y329 E330 Y331 K335 R336 R337L322-M333 HydrophobicContact CD1-CG 4.15Å; L322-M333 HydrophobicContact CD1-SD 3.6Å; Y329-M333 HydrophobicContact CD1-CG 4.28Å; Y329-M333 HydrophobicContact CD2-CG 4.27Å; Y329-M333 HydrophobicContact CE1-CG 3.88Å; Y329-M333 HydrophobicContact CE2-CG 3.88Å; Y329-M333 HydrophobicContact CE2-SD 4.34Å; Y329-M333 HydrophobicContact CG-CG 4.46Å; Y329-M333 WeakPolarHBondContact O-CB 3.49Å; Y329-M333 WeakPolarHBondContact O-CG 3.41Å; Y329-M333 PolarHBondContact O-N 2.85Å; E330-M333 PolarHBondContact O-N 3.46Å; Y331-M333 VanDerWaalsContact C-N 3.33Å; Y331-M333 PolarHBondContact O-N 3.18Å; M333-K335 PolarHBondContact O-N 3.44Å; M333-R336 PolarHBondContact O-N 3.13Å; M333-R337 PolarHBondContact O-N 3.34Å
334R93.5Very high91.9Very high135 Ų135114.4 Ų114.451%0.50956%0.564SS.*Hα-helixtrans-60.3-45.1177.5-176.4167.567.5170-0.6110.9E330 Y331 M332 R336 R337 R338E330-R334 PolarHBondContact O-N 3.3Å; Y331-R334 PolarHBondContact O-N 3.46Å; M332-R334 VanDerWaalsContact C-N 3.34Å; R334-R336 VanDerWaalsContact C-N 3.27Å; R334-R336 PolarHBondContact O-N 2.97Å; R334-R337 PolarHBondContact O-N 2.86Å; R334-R338 VanDerWaalsContact O-CG 3.32Å; R334-R338 WeakPolarHBondContact O-CG 3.47Å; R334-R338 PolarHBondContact O-N 3.42Å
335K94.4Very high91.4Very high92 Ų92115.3 Ų115.340%0.457%0.568SS.*Hα-helixtrans-59.6-42.2178.6-174.6177.6179.3-1780110.5Y331 M332 M333 R337 R338 E339Y331-K335 HydrophobicContact CE1-CD 4.45Å; Y331-K335 WeakPolarHBondContact O-CB 3.15Å; Y331-K335 PolarHBondContact O-N 3.22Å; M332-K335 WeakPolarHBondContact O-CB 3.38Å; M332-K335 PolarHBondContact O-N 3.25Å; M332-K335 HydrophobicContact SD-CD 4.5Å; M333-K335 PolarHBondContact O-N 3.44Å; K335-R337 VanDerWaalsContact C-N 3.34Å; K335-R337 PolarHBondContact O-N 3.35Å; K335-R338 PolarHBondContact O-N 2.93Å; K335-E339 WeakPolarHBondContact CE-OE1 3.32Å; K335-E339 PolarHBondContact O-N 3.35Å
336R91.9Very high91Very high154 Ų154108 Ų10858%0.58153%0.53SS*.Hα-helixtrans-63.7-40.8178.8-168177148.5-174.5-0.9111.5M332 M333 R334 R338 E339 N340M332-R336 PolarHBondContact O-N 2.89Å; M333-R336 PolarHBondContact O-N 3.13Å; R334-R336 VanDerWaalsContact C-N 3.27Å; R334-R336 PolarHBondContact O-N 2.97Å; R336-R338 PolarHBondContact O-N 3.19Å; R336-E339 PolarHBondContact O-N 3.02Å; R336-N340 PolarHBondContact O-N 3.23Å
337R90.9Very high90.5Very high207 Ų207109.3 Ų109.378%0.78154%0.544SS*.Hα-helixtrans-65.3-31.1180-170.6177.2167.5-175.20.4111.2M333 R334 K335 P341M333-R337 PolarHBondContact O-N 3.34Å; R334-R337 PolarHBondContact O-N 2.86Å; K335-R337 VanDerWaalsContact C-N 3.34Å; K335-R337 PolarHBondContact O-N 3.35Å; R337-P341 WeakPolarHBondContact O-CA 3.36Å
338R91.8Very high90Very high177 Ų177107.3 Ų107.367%0.66852%0.523SS*.Hα-helixtrans-77.4-37.9179.9-75.2-177.7-175171.81110.5R334 K335 R336R334-R338 VanDerWaalsContact O-CG 3.32Å; R334-R338 WeakPolarHBondContact O-CG 3.47Å; R334-R338 PolarHBondContact O-N 3.42Å; K335-R338 PolarHBondContact O-N 2.93Å; R336-R338 PolarHBondContact O-N 3.19Å
339E92.2Very high89.4Confident123 Ų123105 Ų10558%0.57552%0.517SS*.Hα-helixtrans-76.8-31.8-174.9-76.5179-179.400110.8K335 R336K335-E339 WeakPolarHBondContact CE-OE1 3.32Å; K335-E339 PolarHBondContact O-N 3.35Å; R336-E339 PolarHBondContact O-N 3.02Å
340N87Confident88.9Confident116 Ų116114 Ų11462%0.6255%0.551SS**SBendtrans-138.980.9-179.2-66.4-64.6000109.7R336 G342R336-N340 PolarHBondContact O-N 3.23Å; N340-G342 VanDerWaalsContact C-N 3.3Å; N340-G342 PolarHBondContact O-N 3.45Å
341P86.9Confident88.4Confident106 Ų106113.2 Ų113.269%0.68855%0.551SS**  trans-66.693.2179.822.5-27.8000111.7R337R337-P341 WeakPolarHBondContact O-CA 3.36Å
342G82.3Confident88.1Confident54 Ų54108.8 Ų108.856%0.55754%0.539SS*.PPolyproline II helixtrans-46.4172.4176.200000112.3N340N340-G342 VanDerWaalsContact C-N 3.3Å; N340-G342 PolarHBondContact O-N 3.45Å
343P84.3Confident87.9Confident92 Ų92111.1 Ų111.160%0.59755%0.553SS**SBendtrans-59.4145.1176.220.9-25.6000111.9Q345P343-Q345 PolarHBondContact O-N 3.48Å; P343-Q345 VanDerWaalsContact O-N 3.08Å
344P85.5Confident87.9Confident107 Ų107112 Ų11270%0.69556%0.564SS**PPolyproline II helixtrans-50.5124.3179.521.5-27.1000111.6A363P344-A363 HydrophobicContact CB-CB 3.49Å; P344-A363 VanDerWaalsContact CB-CB 3.49Å; P344-A363 HydrophobicContact CG-CB 3.83Å; P344-A363 VanDerWaalsContact O-CB 3.31Å; P344-A363 WeakPolarHBondContact O-CB 3.47Å
345Q84Confident87.9Confident173 Ų173107.9 Ų107.981%0.80855%0.552SS**PPolyproline II helixtrans-93153179.3-63.2-175.5-15.500109.9P343 S347P343-Q345 PolarHBondContact O-N 3.48Å; P343-Q345 VanDerWaalsContact O-N 3.08Å; Q345-S347 PolarHBondContact O-N 2.87Å
346C85.1Confident87.9Confident7 Ų7110.3 Ų110.35%0.04756%0.558CS.*PPolyproline II helixtrans-68.5129.1178.7178.40000110.2K348 A349 P361 G362C346-K348 PolarHBondContact O-N 2.87Å; C346-K348 PolarHBondContact SG-N 3.3Å; C346-K348 VanDerWaalsContact SG-N 3.4Å; C346-A349 HydrophobicContact CB-CB 4.31Å; C346-A349 WeakPolarHBondContact O-CB 3.46Å; C346-A349 PolarHBondContact O-N 3.38Å; C346-P361 HydrophobicContact CB-CB 4.34Å; C346-P361 HydrophobicContact CB-CG 3.93Å; C346-G362 WeakPolarHBondContact CB-O 3.48Å
347S85.4Confident87.9Confident99 Ų99109 Ų10969%0.69256%0.557SS**THydrogen-bonded Turntrans-62.4-22.6179.360.20000111.4Q345Q345-S347 PolarHBondContact O-N 2.87Å
348K86.6Confident87.9Confident90 Ų90104.1 Ų104.139%0.39156%0.555SS.*THydrogen-bonded Turntrans-108.922.8-175.2-62.8169.1-168.6173.40109.8C346 R350 L351 D366C346-K348 PolarHBondContact O-N 2.87Å; C346-K348 PolarHBondContact SG-N 3.3Å; C346-K348 VanDerWaalsContact SG-N 3.4Å; K348-R350 PolarHBondContact O-N 2.91Å; K348-L351 HydrophobicContact CB-CD1 4.36Å; K348-L351 WeakPolarHBondContact O-CB 3.21Å; K348-L351 PolarHBondContact O-N 2.86Å; K348-D366 WeakPolarHBondContact CD-O 3.14Å; K348-D366 PolarHBondContact NZ-O 3.43Å
349A82.6Confident87.8Confident40 Ų40101 Ų10133%0.33155%0.55SS.*G310 helixtrans-58.2-24.2-173.900000110.5C346 L351 A352 P361C346-A349 HydrophobicContact CB-CB 4.31Å; C346-A349 WeakPolarHBondContact O-CB 3.46Å; C346-A349 PolarHBondContact O-N 3.38Å; A349-L351 PolarHBondContact O-N 3.08Å; A349-A352 VanDerWaalsContact O-CB 3.27Å; A349-A352 WeakPolarHBondContact O-CB 3.32Å; A349-A352 PolarHBondContact O-N 3.18Å; A349-P361 HydrophobicContact CB-CG 4.4Å
350R84.8Confident87.8Confident236 Ų236100 Ų10089%0.89155%0.554SS**G310 helixtrans-70.6-18.9-177.7-74.3-167.6-81.5-89.30.8111.1K348 A352K348-R350 PolarHBondContact O-N 2.91Å; R350-A352 PolarHBondContact O-N 3.04Å
351L86.4Confident88.1Confident129 Ų12996.1 Ų96.168%0.67554%0.535SS*.G310 helixtrans-95.3-1.3-175.3-63.6173000109.8K348 A349 L353K348-L351 HydrophobicContact CB-CD1 4.36Å; K348-L351 WeakPolarHBondContact O-CB 3.21Å; K348-L351 PolarHBondContact O-N 2.86Å; A349-L351 PolarHBondContact O-N 3.08Å; L351-L353 PolarHBondContact O-N 3.49Å
352A89.1Confident88.3Confident29 Ų2993.5 Ų93.524%0.2453%0.528CS..PPolyproline II helixtrans-76.1134.4-173.400000109.5A349 R350 P361 W365A349-A352 VanDerWaalsContact O-CB 3.27Å; A349-A352 WeakPolarHBondContact O-CB 3.32Å; A349-A352 PolarHBondContact O-N 3.18Å; R350-A352 PolarHBondContact O-N 3.04Å; A352-P361 HydrophobicContact CB-CG 3.82Å; A352-W365 VanDerWaalsContact CA-CH2 3.45Å; A352-W365 HydrophobicContact CB-CE3 4.32Å; A352-W365 HydrophobicContact CB-CH2 3.55Å; A352-W365 HydrophobicContact CB-CZ3 3.24Å
353L89.7Confident88.8Confident95 Ų9592.7 Ų92.750%0.49752%0.516SS..PPolyproline II helixtrans-69.9144.1176.7-65172.1000110.1L351 D369L351-L353 PolarHBondContact O-N 3.49Å; L353-D369 WeakPolarHBondContact CD1-OD2 3.48Å
354P92.1Very high89.2Confident91 Ų91100 Ų10059%0.59153%0.532SS*.PPolyproline II helixtrans-67.2142.2-178.225.9-32.1000111.8L379P354-L379 HydrophobicContact CG-CD2 4.02Å
355N92.3Very high89.6Confident49 Ų4998.6 Ų98.626%0.26251%0.512SS..  trans-116.4160.5178.765.97.8000110.3F357 S358 I359N355-F357 PolarHBondContact O-N 3.35Å; N355-F357 VanDerWaalsContact OD1-C 3.25Å; N355-F357 PolarHBondContact OD1-N 3.43Å; N355-S358 VanDerWaalsContact CG-N 3.33Å; N355-S358 PolarHBondContact O-N 3.47Å; N355-S358 WeakPolarHBondContact OD1-CA 3.32Å; N355-S358 PolarHBondContact OD1-N 3.41Å; N355-I359 VanDerWaalsContact CG-N 3.31Å; N355-I359 WeakPolarHBondContact ND2-CA 3.28Å; N355-I359 VanDerWaalsContact ND2-CB 3.3Å; N355-I359 WeakPolarHBondContact ND2-CB 3.42Å; N355-I359 PolarHBondContact ND2-N 3.31Å; N355-I359 PolarHBondContact ND2-O 2.87Å; N355-I359 PolarHBondContact OD1-N 3.35Å
356R94.3Very high90Very high143 Ų14393.1 Ų93.154%0.5449%0.489SS..THydrogen-bonded Turntrans-57.3-31.1-176.2-179.2175.169.8-150.8-2.6110.8E375R356-E375 PolarHBondContact N-OE2 3.37Å
357F92.1Very high90.3Very high126 Ų12694 Ų9455%0.55350%0.499SS*.THydrogen-bonded Turntrans-107.516.8-173.9-56.4-69.7000109.9N355 I359N355-F357 PolarHBondContact O-N 3.35Å; N355-F357 VanDerWaalsContact OD1-C 3.25Å; N355-F357 PolarHBondContact OD1-N 3.43Å; F357-I359 HydrophobicContact CB-CD1 3.73Å; F357-I359 HydrophobicContact CB-CG1 3.8Å; F357-I359 HydrophobicContact CG-CD1 4.5Å; F357-I359 WeakPolarHBondContact O-CG1 3.48Å; F357-I359 PolarHBondContact O-N 2.83Å
358S91.7Very high90.6Very high105 Ų10593.3 Ų93.373%0.73449%0.49SS*.  trans44.233.2177.6-58.30000111.6N355N355-S358 VanDerWaalsContact CG-N 3.33Å; N355-S358 PolarHBondContact O-N 3.47Å; N355-S358 WeakPolarHBondContact OD1-CA 3.32Å; N355-S358 PolarHBondContact OD1-N 3.41Å
359I90.2Very high90.8Very high111 Ų11193.7 Ų93.757%0.56950%0.497SS*.PPolyproline II helixtrans-80.3125.9174-62.1168.2000109.4N355 F357N355-I359 VanDerWaalsContact CG-N 3.31Å; N355-I359 WeakPolarHBondContact ND2-CA 3.28Å; N355-I359 VanDerWaalsContact ND2-CB 3.3Å; N355-I359 WeakPolarHBondContact ND2-CB 3.42Å; N355-I359 PolarHBondContact ND2-N 3.31Å; N355-I359 PolarHBondContact ND2-O 2.87Å; N355-I359 PolarHBondContact OD1-N 3.35Å; F357-I359 HydrophobicContact CB-CD1 3.73Å; F357-I359 HydrophobicContact CB-CG1 3.8Å; F357-I359 HydrophobicContact CG-CD1 4.5Å; F357-I359 WeakPolarHBondContact O-CG1 3.48Å; F357-I359 PolarHBondContact O-N 2.83Å
360P90.6Very high91.3Very high101 Ų101100.5 Ų100.566%0.65651%0.514SS*.PPolyproline II helixtrans-77.2146.3179.125.3-30.9000111.8
361P93.6Very high91.7Very high35 Ų3592.1 Ų92.123%0.22749%0.492CS..PPolyproline II helixtrans-59.8150.4179.327.1-34.5000111.8C346 A349 A352 W365C346-P361 HydrophobicContact CB-CB 4.34Å; C346-P361 HydrophobicContact CB-CG 3.93Å; A349-P361 HydrophobicContact CB-CG 4.4Å; A352-P361 HydrophobicContact CB-CG 3.82Å; P361-W365 HydrophobicContact CB-CB 3.84Å; P361-W365 HydrophobicContact CB-CD2 3.52Å; P361-W365 HydrophobicContact CB-CE3 3.08Å; P361-W365 HydrophobicContact CB-CG 3.87Å; P361-W365 HydrophobicContact CB-CZ3 3.8Å; P361-W365 HydrophobicContact CG-CD2 4.22Å; P361-W365 HydrophobicContact CG-CE3 3.28Å; P361-W365 HydrophobicContact CG-CZ3 3.61Å
362G91.6Very high92.1Very high51 Ų5192.9 Ų92.953%0.52650%0.497SS..PPolyproline II helixtrans-66.9165.2178.200000112C346 R364 W365C346-G362 WeakPolarHBondContact CB-O 3.48Å; G362-R364 PolarHBondContact O-N 3.46Å; G362-W365 WeakPolarHBondContact O-CB 3.47Å; G362-W365 PolarHBondContact O-N 3.29Å
363A92.1Very high92.3Very high38 Ų3892.6 Ų92.631%0.31450%0.496SS..THydrogen-bonded Turntrans-60.8-20.8-175.200000110.9P344 W365P344-A363 HydrophobicContact CB-CB 3.49Å; P344-A363 VanDerWaalsContact CB-CB 3.49Å; P344-A363 HydrophobicContact CG-CB 3.83Å; P344-A363 VanDerWaalsContact O-CB 3.31Å; P344-A363 WeakPolarHBondContact O-CB 3.47Å; A363-W365 VanDerWaalsContact C-N 3.32Å; A363-W365 PolarHBondContact O-N 3.17Å
364R92.6Very high92.6Very high245 Ų24593.1 Ų93.193%0.92550%0.495SS*.THydrogen-bonded Turntrans-1042.3-172.3-63.5173.977.8175-1110.4G362 D366G362-R364 PolarHBondContact O-N 3.46Å; R364-D366 PolarHBondContact O-N 3.11Å
365W93.9Very high92.8Very high77 Ų7792 Ų9229%0.29248%0.482SS..  trans-61.7133.9178.9-175.846.7000111.1A352 P361 G362 A363A352-W365 VanDerWaalsContact CA-CH2 3.45Å; A352-W365 HydrophobicContact CB-CE3 4.32Å; A352-W365 HydrophobicContact CB-CH2 3.55Å; A352-W365 HydrophobicContact CB-CZ3 3.24Å; P361-W365 HydrophobicContact CB-CB 3.84Å; P361-W365 HydrophobicContact CB-CD2 3.52Å; P361-W365 HydrophobicContact CB-CE3 3.08Å; P361-W365 HydrophobicContact CB-CG 3.87Å; P361-W365 HydrophobicContact CB-CZ3 3.8Å; P361-W365 HydrophobicContact CG-CD2 4.22Å; P361-W365 HydrophobicContact CG-CE3 3.28Å; P361-W365 HydrophobicContact CG-CZ3 3.61Å; G362-W365 WeakPolarHBondContact O-CB 3.47Å; G362-W365 PolarHBondContact O-N 3.29Å; A363-W365 VanDerWaalsContact C-N 3.32Å; A363-W365 PolarHBondContact O-N 3.17Å
366D92.5Very high92.9Very high59 Ų5993.3 Ų93.332%0.31649%0.491SS..  trans-88.40-17062.2-1.6000110.7K348 R364 V368 R370K348-D366 WeakPolarHBondContact CD-O 3.14Å; K348-D366 PolarHBondContact NZ-O 3.43Å; R364-D366 PolarHBondContact O-N 3.11Å; D366-V368 PolarHBondContact OD1-N 2.81Å; D366-R370 IonicContact OD1-NH1 2.96Å; D366-R370 PolarHBondContact OD1-NH1 3.34Å; D366-R370 IonicContact OD2-CZ 3.75Å; D366-R370 VanDerWaalsContact OD2-CZ 3.24Å; D366-R370 IonicContact OD2-NH1 3.18Å; D366-R370 PolarHBondContact OD2-NH1 3.45Å; D366-R370 IonicContact OD2-NH2 3.24Å; D366-R370 PolarHBondContact OD2-NH2 3.27Å
367G91.7Very high93Very high26 Ų2694.4 Ų94.427%0.26850%0.495SS..SBend00000000111.5
368V91.7Very high93.1Very high83 Ų8391 Ų9150%0.50348%0.483SS..  0131.50176.80000107.8D366 R370D366-V368 PolarHBondContact OD1-N 2.81Å; V368-R370 PolarHBondContact O-N 2.71Å
369D91.9Very high93.3Very high99 Ų9989.5 Ų89.553%0.52947%0.466SS..  trans-76.30179.7-177.316.1000110.6L353 S371L353-D369 WeakPolarHBondContact CD1-OD2 3.48Å; D369-S371 VanDerWaalsContact OD1-CB 3.23Å; D369-S371 WeakPolarHBondContact OD1-CB 3.32Å; D369-S371 PolarHBondContact OD1-N 3.32Å; D369-S371 PolarHBondContact OD1-OG 3.39Å; D369-S371 PolarHBondContact OD2-OG 3.45Å
370R93Very high93.6Very high182 Ų18286.7 Ų86.769%0.68746%0.456SS*.  0340-60.2-179168.176.20.2109.6D366 V368D366-R370 IonicContact OD1-NH1 2.96Å; D366-R370 PolarHBondContact OD1-NH1 3.34Å; D366-R370 IonicContact OD2-CZ 3.75Å; D366-R370 VanDerWaalsContact OD2-CZ 3.24Å; D366-R370 IonicContact OD2-NH1 3.18Å; D366-R370 PolarHBondContact OD2-NH1 3.45Å; D366-R370 IonicContact OD2-NH2 3.24Å; D366-R370 PolarHBondContact OD2-NH2 3.27Å; V368-R370 PolarHBondContact O-N 2.71Å
371S92.2Very high93.9Very high60 Ų6085 Ų8542%0.4244%0.439SS..  trans-92.3157.7-174.564.80000110.3D369D369-S371 VanDerWaalsContact OD1-CB 3.23Å; D369-S371 WeakPolarHBondContact OD1-CB 3.32Å; D369-S371 PolarHBondContact OD1-N 3.32Å; D369-S371 PolarHBondContact OD1-OG 3.39Å; D369-S371 PolarHBondContact OD2-OG 3.45Å
372N94.8Very high94Very high146 Ų14689.9 Ų89.978%0.78146%0.457SS*.  trans-83.70173.566.13.9000111.3F374N372-F374 VanDerWaalsContact OD1-CA 3.31Å; N372-F374 WeakPolarHBondContact OD1-CA 3.49Å; N372-F374 WeakPolarHBondContact OD1-CB 3.05Å; N372-F374 PolarHBondContact OD1-N 3.04Å
373G94.2Very high94.3Very high22 Ų2292.3 Ų92.323%0.22746%0.458CS..SBend00.9000000111.3E375 T376 R377G373-E375 VanDerWaalsContact C-N 3.28Å; G373-E375 PolarHBondContact O-N 3.31Å; G373-T376 VanDerWaalsContact C-OG1 3.27Å; G373-T376 PolarHBondContact O-N 3.06Å; G373-T376 PolarHBondContact O-OG1 3.41Å; G373-R377 PolarHBondContact O-N 3.45Å
374F96.3Very high94.5Very high107 Ų10795.5 Ų95.547%0.46947%0.469SS..Hα-helixtrans-60.5-41.3-176173.4-101.7000109.4N372 T376 R377 L378N372-F374 VanDerWaalsContact OD1-CA 3.31Å; N372-F374 WeakPolarHBondContact OD1-CA 3.49Å; N372-F374 WeakPolarHBondContact OD1-CB 3.05Å; N372-F374 PolarHBondContact OD1-N 3.04Å; F374-T376 VanDerWaalsContact C-N 3.3Å; F374-T376 PolarHBondContact O-N 3.27Å; F374-R377 PolarHBondContact O-N 3.43Å; F374-L378 HydrophobicContact CE1-CD2 4.26Å; F374-L378 WeakPolarHBondContact O-CB 3.26Å; F374-L378 PolarHBondContact O-N 3.35Å
375E95.5Very high94.8Very high68 Ų6892.2 Ų92.232%0.31846%0.457SS..Hα-helixtrans-67-38.5-176.4-69-72168.300111R356 G373 L378 L379R356-E375 PolarHBondContact N-OE2 3.37Å; G373-E375 VanDerWaalsContact C-N 3.28Å; G373-E375 PolarHBondContact O-N 3.31Å; E375-L378 PolarHBondContact O-N 3.31Å; E375-L379 PolarHBondContact O-N 3.08Å
376T94.5Very high95Very high76 Ų7693.4 Ų93.447%0.46647%0.466SS..Hα-helixtrans-65.9-45.7177.557.30000110.7G373 F374 L378 L379 S380G373-T376 VanDerWaalsContact C-OG1 3.27Å; G373-T376 PolarHBondContact O-N 3.06Å; G373-T376 PolarHBondContact O-OG1 3.41Å; F374-T376 VanDerWaalsContact C-N 3.3Å; F374-T376 PolarHBondContact O-N 3.27Å; T376-L378 PolarHBondContact O-N 3.44Å; T376-L379 PolarHBondContact O-N 3.35Å; T376-S380 PolarHBondContact O-N 3.39Å; T376-S380 PolarHBondContact O-OG 2.5Å
377R95.6Very high95.2Very high166 Ų16692.5 Ų92.563%0.62647%0.467SS*.Hα-helixtrans-61.2-41.2179.2-177178.1176.2179.4-1110.2G373 F374 L379 S380 Q381G373-R377 PolarHBondContact O-N 3.45Å; F374-R377 PolarHBondContact O-N 3.43Å; R377-L379 VanDerWaalsContact C-N 3.33Å; R377-L379 PolarHBondContact O-N 3.37Å; R377-S380 VanDerWaalsContact C-OG 3.29Å; R377-S380 WeakPolarHBondContact CA-OG 3.39Å; R377-S380 PolarHBondContact O-N 3.03Å; R377-S380 PolarHBondContact O-OG 3.24Å; R377-Q381 WeakPolarHBondContact O-CG 3.45Å; R377-Q381 PolarHBondContact O-N 3.18Å
378L95.9Very high95.5Very high54 Ų5497 Ų9728%0.28348%0.481SS..Hα-helixtrans-63.4-46.8-179.3-175.965.1000110.5F374 E375 T376 S380 Q381 K382F374-L378 HydrophobicContact CE1-CD2 4.26Å; F374-L378 WeakPolarHBondContact O-CB 3.26Å; F374-L378 PolarHBondContact O-N 3.35Å; E375-L378 PolarHBondContact O-N 3.31Å; T376-L378 PolarHBondContact O-N 3.44Å; L378-S380 VanDerWaalsContact C-N 3.31Å; L378-S380 PolarHBondContact O-N 2.94Å; L378-Q381 PolarHBondContact O-N 3.35Å; L378-K382 PolarHBondContact O-N 3.47Å
379L94.6Very high95.7Very high73 Ų73100.1 Ų100.138%0.38249%0.487SS..Hα-helixtrans-62.4-40.4178.8-153.657.4000111.5P354 E375 T376 R377 Q381 K382 N383P354-L379 HydrophobicContact CG-CD2 4.02Å; E375-L379 PolarHBondContact O-N 3.08Å; T376-L379 PolarHBondContact O-N 3.35Å; R377-L379 VanDerWaalsContact C-N 3.33Å; R377-L379 PolarHBondContact O-N 3.37Å; L379-Q381 VanDerWaalsContact C-N 3.33Å; L379-K382 PolarHBondContact O-N 3.12Å; L379-N383 VanDerWaalsContact O-CG 3.24Å; L379-N383 PolarHBondContact O-N 3.23Å; L379-N383 PolarHBondContact O-ND2 3.49Å
380S95.9Very high95.9Very high52 Ų52100 Ų10036%0.36448%0.484SS..Hα-helixtrans-62.4-43.1177.8680000111T376 R377 L378 K382 N383 L384T376-S380 PolarHBondContact O-N 3.39Å; T376-S380 PolarHBondContact O-OG 2.5Å; R377-S380 VanDerWaalsContact C-OG 3.29Å; R377-S380 WeakPolarHBondContact CA-OG 3.39Å; R377-S380 PolarHBondContact O-N 3.03Å; R377-S380 PolarHBondContact O-OG 3.24Å; L378-S380 VanDerWaalsContact C-N 3.31Å; L378-S380 PolarHBondContact O-N 2.94Å; S380-K382 VanDerWaalsContact C-N 3.33Å; S380-N383 WeakPolarHBondContact O-CB 3.43Å; S380-N383 PolarHBondContact O-N 3.26Å; S380-L384 WeakPolarHBondContact O-CB 3.33Å; S380-L384 WeakPolarHBondContact O-CG 3.32Å; S380-L384 PolarHBondContact O-N 3.48Å
381Q97.3Very high96.1Very high65 Ų6596.1 Ų96.130%0.30447%0.473SS..Hα-helixtrans-62.4-47.1179.1-77.3-178.1-0.400110.3R377 L378 L379 N383 L384 R385R377-Q381 WeakPolarHBondContact O-CG 3.45Å; R377-Q381 PolarHBondContact O-N 3.18Å; L378-Q381 PolarHBondContact O-N 3.35Å; L379-Q381 VanDerWaalsContact C-N 3.33Å; Q381-N383 PolarHBondContact O-N 3.31Å; Q381-L384 WeakPolarHBondContact O-CB 3.16Å; Q381-L384 PolarHBondContact O-N 3.28Å; Q381-L384 VanDerWaalsContact O-N 3.13Å; Q381-R385 WeakPolarHBondContact O-CG 3.1Å; Q381-R385 PolarHBondContact O-N 2.09Å
382K96.6Very high96.2Very high139 Ų139100.6 Ų100.660%0.60448%0.482SS*.Hα-helixtrans-54.6-44.7176.1-172.3176.7177178.80111.6L378 L379 S380 L384 R385 Q386L378-K382 PolarHBondContact O-N 3.47Å; L379-K382 PolarHBondContact O-N 3.12Å; S380-K382 VanDerWaalsContact C-N 3.33Å; K382-L384 PolarHBondContact O-N 2.72Å; K382-R385 PolarHBondContact O-N 3.38Å; K382-Q386 PolarHBondContact O-N 3.45Å
383N96.8Very high96.2Very high101 Ų101101.8 Ų101.854%0.5448%0.477SS..Hα-helixtrans-63.8-39178.1-71.4-14.6000111.7L379 S380 Q381 R385 Q386 A387L379-N383 VanDerWaalsContact O-CG 3.24Å; L379-N383 PolarHBondContact O-N 3.23Å; L379-N383 PolarHBondContact O-ND2 3.49Å; S380-N383 WeakPolarHBondContact O-CB 3.43Å; S380-N383 PolarHBondContact O-N 3.26Å; Q381-N383 PolarHBondContact O-N 3.31Å; N383-R385 VanDerWaalsContact C-N 3.27Å; N383-R385 PolarHBondContact O-N 2.87Å; N383-Q386 PolarHBondContact O-N 3.29Å; N383-A387 WeakPolarHBondContact O-CB 2.8Å; N383-A387 PolarHBondContact O-N 2.7Å
384L97.9Very high96.3Very high105 Ų105105.7 Ų105.755%0.5549%0.488SS..Hα-helixtrans-64.5-44.3179.1-75.2177.1000110.3S380 Q381 K382 Q386 A387 E388S380-L384 WeakPolarHBondContact O-CB 3.33Å; S380-L384 WeakPolarHBondContact O-CG 3.32Å; S380-L384 PolarHBondContact O-N 3.48Å; Q381-L384 WeakPolarHBondContact O-CB 3.16Å; Q381-L384 PolarHBondContact O-N 3.28Å; Q381-L384 VanDerWaalsContact O-N 3.13Å; K382-L384 PolarHBondContact O-N 2.72Å; L384-Q386 PolarHBondContact O-N 3.42Å; L384-A387 PolarHBondContact O-N 3.24Å; L384-E388 VanDerWaalsContact O-CG 3.32Å; L384-E388 WeakPolarHBondContact O-CG 3.41Å; L384-E388 PolarHBondContact O-N 3.48Å
385R97.7Very high96.3Very high176 Ų176109.2 Ų109.266%0.66450%0.498SS*.Hα-helixtrans-60.8-44179.4-78.3-177-175164.81.1110.5Q381 K382 N383 A387 E388 K389Q381-R385 WeakPolarHBondContact O-CG 3.1Å; Q381-R385 PolarHBondContact O-N 2.09Å; K382-R385 PolarHBondContact O-N 3.38Å; N383-R385 VanDerWaalsContact C-N 3.27Å; N383-R385 PolarHBondContact O-N 2.87Å; R385-A387 VanDerWaalsContact C-N 3.25Å; R385-A387 PolarHBondContact O-N 3.35Å; R385-E388 PolarHBondContact O-N 3.21Å; R385-K389 WeakPolarHBondContact O-CB 3.37Å; R385-K389 PolarHBondContact O-N 3.13Å
386Q97.8Very high96.2Very high103 Ų103109.1 Ų109.148%0.48151%0.509SS..Hα-helixtrans-61.5-40.3176.9-174.766.810.100111.6K382 N383 L384 E388 K389 E390K382-Q386 PolarHBondContact O-N 3.45Å; N383-Q386 PolarHBondContact O-N 3.29Å; L384-Q386 PolarHBondContact O-N 3.42Å; Q386-E388 VanDerWaalsContact C-N 3.34Å; Q386-K389 PolarHBondContact O-N 2.92Å; Q386-E390 WeakPolarHBondContact O-CG 3.25Å; Q386-E390 PolarHBondContact O-N 3.04Å; Q386-E390 VanDerWaalsContact O-N 3.11Å
387A97.4Very high96.2Very high40 Ų40108.2 Ų108.233%0.33151%0.509SS..Hα-helixtrans-65.5-42.3179.100000110.4N383 L384 R385 K389 E390 E391N383-A387 WeakPolarHBondContact O-CB 2.8Å; N383-A387 PolarHBondContact O-N 2.7Å; L384-A387 PolarHBondContact O-N 3.24Å; R385-A387 VanDerWaalsContact C-N 3.25Å; R385-A387 PolarHBondContact O-N 3.35Å; A387-K389 VanDerWaalsContact C-N 3.32Å; A387-E390 PolarHBondContact O-N 3.08Å; A387-E391 VanDerWaalsContact O-CG 3.26Å; A387-E391 WeakPolarHBondContact O-CG 3.48Å; A387-E391 PolarHBondContact O-N 3.35Å
388E97.2Very high95.9Very high121 Ų121103.4 Ų103.457%0.56551%0.511SS*.Hα-helixtrans-63.9-43179.7-75.3177.4174.200110.4L384 R385 Q386 E390 E391 Y392L384-E388 VanDerWaalsContact O-CG 3.32Å; L384-E388 WeakPolarHBondContact O-CG 3.41Å; L384-E388 PolarHBondContact O-N 3.48Å; R385-E388 PolarHBondContact O-N 3.21Å; Q386-E388 VanDerWaalsContact C-N 3.34Å; E388-E390 PolarHBondContact O-N 2.97Å; E388-E391 CarbonylContact O-C 3.59Å; E388-E391 WeakPolarHBondContact O-CB 3.5Å; E388-E391 PolarHBondContact O-N 3.45Å; E388-E391 VanDerWaalsContact O-N 3.17Å; E388-Y392 WeakPolarHBondContact O-CB 3.44Å; E388-Y392 PolarHBondContact O-N 3.31Å
389K97.2Very high95.4Very high147 Ų147105.1 Ų105.164%0.63952%0.524SS*.Hα-helixtrans-56.7-43.8177.1-171.5176.9176.8177.70111.2R385 Q386 A387 E391 Y392 Y393R385-K389 WeakPolarHBondContact O-CB 3.37Å; R385-K389 PolarHBondContact O-N 3.13Å; Q386-K389 PolarHBondContact O-N 2.92Å; A387-K389 VanDerWaalsContact C-N 3.32Å; K389-E391 PolarHBondContact O-N 2.84Å; K389-Y392 PolarHBondContact O-N 3.42Å; K389-Y393 WeakPolarHBondContact O-CB 2.45Å; K389-Y393 PolarHBondContact O-N 3.29Å
390E96.3Very high94.4Very high98 Ų98108 Ų10846%0.45853%0.53SS..Hα-helixtrans-65-41.2178.4-71177.2-179.300111.4Q386 A387 E388 Y392 Y393 K394Q386-E390 WeakPolarHBondContact O-CG 3.25Å; Q386-E390 PolarHBondContact O-N 3.04Å; Q386-E390 VanDerWaalsContact O-N 3.11Å; A387-E390 PolarHBondContact O-N 3.08Å; E388-E390 PolarHBondContact O-N 2.97Å; E390-Y392 PolarHBondContact O-N 3.42Å; E390-Y393 WeakPolarHBondContact O-CB 3.25Å; E390-Y393 PolarHBondContact O-N 2.93Å; E390-K394 WeakPolarHBondContact O-CB 3.32Å; E390-K394 VanDerWaalsContact O-CG 3.25Å; E390-K394 WeakPolarHBondContact O-CG 3.37Å; E390-K394 PolarHBondContact O-N 2.96Å
391E95.7Very high93.3Very high99 Ų99117.3 Ų117.346%0.46357%0.568SS.*Hα-helixtrans-63.3-45.3178.6-75.8-174.7173.700110.7A387 E388 K389 Y393 K394 W395A387-E391 VanDerWaalsContact O-CG 3.26Å; A387-E391 WeakPolarHBondContact O-CG 3.48Å; A387-E391 PolarHBondContact O-N 3.35Å; E388-E391 CarbonylContact O-C 3.59Å; E388-E391 WeakPolarHBondContact O-CB 3.5Å; E388-E391 PolarHBondContact O-N 3.45Å; E388-E391 VanDerWaalsContact O-N 3.17Å; K389-E391 PolarHBondContact O-N 2.84Å; E391-Y393 PolarHBondContact O-N 3.19Å; E391-K394 PolarHBondContact O-N 3.49Å; E391-W395 WeakPolarHBondContact O-CB 3.35Å; E391-W395 PolarHBondContact O-N 3.36Å
392Y95.5Very high93.1Very high155 Ų155119.9 Ų119.961%0.60858%0.581SS**Hα-helixtrans-58.6-46.5179.8176.7-102.3000110E388 K389 E390 K394 W395 A396E388-Y392 WeakPolarHBondContact O-CB 3.44Å; E388-Y392 PolarHBondContact O-N 3.31Å; K389-Y392 PolarHBondContact O-N 3.42Å; E390-Y392 PolarHBondContact O-N 3.42Å; Y392-K394 VanDerWaalsContact C-N 3.29Å; Y392-K394 PolarHBondContact O-N 3.34Å; Y392-W395 HydrophobicContact CD2-CE3 4.34Å; Y392-W395 HydrophobicContact CE2-CE3 4.33Å; Y392-W395 HydrophobicContact CE2-CZ3 4.47Å; Y392-W395 CarbonylContact O-C 3.54Å; Y392-W395 WeakPolarHBondContact O-CB 3.38Å; Y392-W395 PolarHBondContact O-N 3.45Å; Y392-W395 VanDerWaalsContact O-N 3.13Å; Y392-A396 VanDerWaalsContact O-CB 3.32Å; Y392-A396 WeakPolarHBondContact O-CB 3.36Å; Y392-A396 PolarHBondContact O-N 3.32Å
393Y95.3Very high92.9Very high170 Ų170118.9 Ų118.967%0.66758%0.58SS**Hα-helixtrans-56-48.9177.5178.9-102.4000111.2K389 E390 E391 W395 A396 A397K389-Y393 WeakPolarHBondContact O-CB 2.45Å; K389-Y393 PolarHBondContact O-N 3.29Å; E390-Y393 WeakPolarHBondContact O-CB 3.25Å; E390-Y393 PolarHBondContact O-N 2.93Å; E391-Y393 PolarHBondContact O-N 3.19Å; Y393-W395 PolarHBondContact O-N 3.36Å; Y393-A396 PolarHBondContact O-N 3.2Å; Y393-A397 WeakPolarHBondContact O-CB 3.39Å; Y393-A397 PolarHBondContact O-N 3.48Å
394K96.3Very high92.7Very high105 Ų105119.9 Ų119.946%0.45758%0.582SS.*Hα-helixtrans-62.10179.4-71.1-179.7-177.71780111.2E390 E391 Y392 G398 T399 Y400E390-K394 WeakPolarHBondContact O-CB 3.32Å; E390-K394 VanDerWaalsContact O-CG 3.25Å; E390-K394 WeakPolarHBondContact O-CG 3.37Å; E390-K394 PolarHBondContact O-N 2.96Å; E391-K394 PolarHBondContact O-N 3.49Å; Y392-K394 VanDerWaalsContact C-N 3.29Å; Y392-K394 PolarHBondContact O-N 3.34Å; K394-G398 PolarHBondContact O-N 3.2Å; K394-T399 PolarHBondContact O-N 3.38Å; K394-T399 VanDerWaalsContact O-N 3.08Å; K394-T399 PolarHBondContact O-OG1 3.16Å; K394-Y400 HydrophobicContact CB-CD2 3.94Å; K394-Y400 PolarHBondContact O-N 2.98Å
395W94.8Very high92.4Very high181 Ų181120.8 Ų120.869%0.68658%0.584SS**Hα-helix0-41.60-173.368000110.1E391 Y392 Y393 A397 G398E391-W395 WeakPolarHBondContact O-CB 3.35Å; E391-W395 PolarHBondContact O-N 3.36Å; Y392-W395 HydrophobicContact CD2-CE3 4.34Å; Y392-W395 HydrophobicContact CE2-CE3 4.33Å; Y392-W395 HydrophobicContact CE2-CZ3 4.47Å; Y392-W395 CarbonylContact O-C 3.54Å; Y392-W395 WeakPolarHBondContact O-CB 3.38Å; Y392-W395 PolarHBondContact O-N 3.45Å; Y392-W395 VanDerWaalsContact O-N 3.13Å; Y393-W395 PolarHBondContact O-N 3.36Å; W395-A397 PolarHBondContact O-N 3.5Å; W395-G398 PolarHBondContact O-N 3.49Å
396A93.8Very high92Very high66 Ų66117.3 Ų117.355%0.54558%0.579SS.*Hα-helixtrans-70.3-36.9-177.400000110.2Y392 Y393 G398Y392-A396 VanDerWaalsContact O-CB 3.32Å; Y392-A396 WeakPolarHBondContact O-CB 3.36Å; Y392-A396 PolarHBondContact O-N 3.32Å; Y393-A396 PolarHBondContact O-N 3.2Å; A396-G398 PolarHBondContact O-N 3.26Å
397A94.4Very high91.6Very high57 Ų57118.3 Ų118.347%0.47159%0.586SS.*Hα-helixtrans-790-179.200000111.3Y393 W395 T399Y393-A397 WeakPolarHBondContact O-CB 3.39Å; Y393-A397 PolarHBondContact O-N 3.48Å; W395-A397 PolarHBondContact O-N 3.5Å; A397-T399 HydrophobicContact CB-CG2 4.27Å; A397-T399 PolarHBondContact O-N 3.2Å
398G89Confident91.2Very high64 Ų64123.9 Ų123.966%0.6660%0.604SS**THydrogen-bonded Turn08.7000000112.3K394 W395 A396 Y400K394-G398 PolarHBondContact O-N 3.2Å; W395-G398 PolarHBondContact O-N 3.49Å; A396-G398 PolarHBondContact O-N 3.26Å; G398-Y400 PolarHBondContact O-N 3.13Å
399T84.9Confident90.8Very high91 Ų91124.1 Ų124.156%0.55861%0.607SS**  trans-93.319.7-17953.40000109.9K394 A397 E401K394-T399 PolarHBondContact O-N 3.38Å; K394-T399 VanDerWaalsContact O-N 3.08Å; K394-T399 PolarHBondContact O-OG1 3.16Å; A397-T399 HydrophobicContact CB-CG2 4.27Å; A397-T399 PolarHBondContact O-N 3.2Å; T399-E401 PolarHBondContact O-N 3.44Å
400Y75.6Confident90.2Very high133 Ų133122.2 Ų122.252%0.52260%0.604SS.*  trans-84.392.9-177.1-164.7-107.1000109.6K394 G398K394-Y400 HydrophobicContact CB-CD2 3.94Å; K394-Y400 PolarHBondContact O-N 2.98Å; G398-Y400 PolarHBondContact O-N 3.13Å
401E71Confident89.7Confident247 Ų247124.4 Ų124.4100%1.15462%0.617SS**  trans-56.80178.6-70.3-174.5175.200110.8T399T399-E401 PolarHBondContact O-N 3.44Å

Retrieved 401 of 401 residues in 614.4 ms (Link to these results)