A0A3Q0KNC5_SCHMA Loading...

MBD domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KNC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 765 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.4Very low32.9Very low199 Ų199136.6 Ų136.698%0.9877%0.771SS**  0104.50-170.1172.2-17700103.7H471M1-H471 WeakPolarHBondContact CA-NE2 3.32Å; M1-H471 PolarHBondContact N-CE1 3.4Å; M1-H471 VanDerWaalsContact N-CE1 3.34Å; M1-H471 PolarHBondContact N-NE2 3.41Å
2I34.7Very low32.5Very low148 Ų148137.7 Ų137.776%0.75977%0.772SS**  cis-131.2123.949-70.3140.9000107.9
3R32.9Very low31.9Very low218 Ų218134.4 Ų134.482%0.82376%0.764SS**  59.685.882.7-167.3-172.7-120.9-178.11.2113.6
4F33.7Very low31.5Very low144 Ų144131.6 Ų131.663%0.63276%0.756SS**  trans-68.1162.1155.6-76.7-117000109.5F469F4-F469 HydrophobicContact CB-CZ 4.26Å; F4-F469 HydrophobicContact CD1-CZ 4.06Å; F4-F469 AromaticContact CD2-CE1 3.78Å; F4-F469 HydrophobicContact CD2-CE1 3.78Å; F4-F469 AromaticContact CD2-CZ 3.41Å; F4-F469 HydrophobicContact CD2-CZ 3.41Å; F4-F469 VanDerWaalsContact CD2-CZ 3.41Å; F4-F469 HydrophobicContact CE1-CZ 4.24Å; F4-F469 HydrophobicContact CE2-CE1 4.02Å; F4-F469 AromaticContact CE2-CZ 3.63Å; F4-F469 HydrophobicContact CE2-CZ 3.63Å; F4-F469 HydrophobicContact CG-CE1 4.39Å; F4-F469 HydrophobicContact CG-CE2 4.4Å; F4-F469 AromaticContact CG-CZ 3.65Å; F4-F469 HydrophobicContact CG-CZ 3.65Å; F4-F469 HydrophobicContact CZ-CZ 4.04Å
5P41.6Very low31.4Very low123 Ų123134.7 Ų134.780%0.79976%0.757SS**  -134.4134118.935.1-25.2000112.8
6S32.9Very low31.3Very low100 Ų100133.4 Ų133.470%0.69975%0.747SS**  trans-71.2150.7159.7-57.70000109.8
7G33.2Very low31.4Very low77 Ų77133.1 Ų133.179%0.79476%0.756SS**  trans-154.456.9-177.600000112
8T31Very low31.4Very low133 Ų133131.6 Ų131.682%0.81674%0.744SS**  trans-72.6128.7170.842.60000110.8
9V33.8Very low31.5Very low123 Ų123131.2 Ų131.275%0.74575%0.747SS**  trans-150.4130.7142.9-102.10000109.9
10D28.5Very low31.5Very low138 Ų138132.6 Ų132.674%0.73875%0.747SS**  trans59.1109.7134.7-54.5-16.3000121.7
11S27.7Very low31.6Very low100 Ų100133 Ų13370%0.69975%0.747SS**  89.1161.4118.382.20000119.9
12L27.8Very low31.8Very low149 Ų149130.5 Ų130.578%0.7874%0.737SS**  trans5499.5155.1-66.3166.7000117.6
13S25.3Very low31.6Very low95 Ų95131 Ų13166%0.66474%0.74SS**  31.6111.7125.661.70000118.4
14C26.3Very low31.5Very low96 Ų96127.3 Ų127.365%0.64974%0.737SS**  158173.6111.5-82.90000112.8
15F29.2Very low31.4Very low177 Ų177124.3 Ų124.378%0.77674%0.738SS**  trans61.6107.5159.8-56.6-57.7000117.9
16L30Very low31Very low115 Ų115123.6 Ų123.660%0.60274%0.737SS**  75.513279.5-99.972.6000114.8I18L16-I18 HydrophobicContact CD2-CD1 3.65Å; L16-I18 HydrophobicContact CD2-CG1 4.11Å; L16-I18 HydrophobicContact CG-CD1 4.01Å; L16-I18 HydrophobicContact CG-CG1 4.13Å
17S32.3Very low30.9Very low128 Ų128124.9 Ų124.990%0.89574%0.743SS**  trans-148.477.8151.7-78.50000108.5
18I32.8Very low31Very low105 Ų105129.8 Ų129.854%0.53875%0.75SS.*  trans-88.4130.8173.7-65.9174.7000108.2L16 H20L16-I18 HydrophobicContact CD2-CD1 3.65Å; L16-I18 HydrophobicContact CD2-CG1 4.11Å; L16-I18 HydrophobicContact CG-CD1 4.01Å; L16-I18 HydrophobicContact CG-CG1 4.13Å; I18-H20 PolarHBondContact O-N 3.14Å
19P32.7Very low30.9Very low124 Ų124129 Ų12981%0.80575%0.75SS**  trans-71.8106.8159.130-30000108.1
20H31.5Very low31Very low159 Ų159129.4 Ų129.474%0.73676%0.755SS**  trans-60.7138.1-179.7-75.9-111000111.6I18I18-H20 PolarHBondContact O-N 3.14Å
21N34.4Very low31.3Very low141 Ų141126.7 Ų126.775%0.75476%0.759SS**  -170.5133.1116-95.7-32.2000112.8
22L35.3Very low31.3Very low147 Ų147125 Ų12577%0.7776%0.758SS**  trans55.9107.1151.2-54.3174000116.5
23L30.7Very low31.5Very low158 Ų158125.7 Ų125.783%0.82776%0.762SS**  44.6128.665.3-60.4166.9000111.9
24N31.7Very low31.8Very low142 Ų142127.1 Ų127.176%0.75977%0.766SS**  cis-162.2151.628.1-170.416.9000111.4
25A31.6Very low32.2Very low80 Ų80129.9 Ų129.966%0.66177%0.771SS**  trans53.8160.1160.900000119.4
26S32.1Very low32.5Very low109 Ų109129.5 Ų129.576%0.76277%0.772SS**  cis-169.2150.4-31.7-88.80000106.1
27P31.9Very low32.6Very low127 Ų127128.9 Ų128.983%0.82578%0.777SS**  trans-82.7132.5-175.532.1-33.9000112.9
28L33.5Very low32.9Very low180 Ų180129.5 Ų129.594%0.94277%0.769SS**  trans-141162167.5-91.3174.5000111.8
29S29.7Very low33.1Very low117 Ų117131.9 Ų131.982%0.81878%0.783SS**  trans-107.3177.7-157.8-115.20000114.4
30P36.4Very low33.2Very low130 Ų130129.7 Ų129.784%0.84478%0.783SS**  trans-92162.8-149.336-39.3000117.9
31G33.4Very low33.5Very low81 Ų81127.7 Ų127.784%0.83579%0.787SS**  trans162.9149.5172.100000106.7
32G28.7Very low33.5Very low65 Ų65126.8 Ų126.867%0.6779%0.789SS**  cis161.8179.78.700000107
33L33Very low33.6Very low164 Ų164126 Ų12686%0.85980%0.795SS**  trans69.8115.5-177.3-43.4172.9000113.5
34T31.5Very low33.7Very low124 Ų124122 Ų12276%0.76179%0.792SS**  cis78.5111.43080.50000116.8
35M34.8Very low33.6Very low154 Ų154123.5 Ų123.576%0.75980%0.8SS**  trans-170.3117.6145.2-88.8-62.6-85.500105.3
36Q35.1Very low33.8Very low169 Ų169123.9 Ų123.979%0.7980%0.795SS**  58134.986.1-67.6-1728.400114.3
37S31.1Very low33.6Very low102 Ų102128.3 Ų128.371%0.71380%0.801SS**  cis-164.3164.6-9.4-164.60000106.5
38I38.5Very low33.4Very low141 Ų141126.4 Ų126.472%0.72380%0.796SS**  -175.6144.165.7-74.5-176.4000108.6
39D37.4Very low33.2Very low156 Ų156121.5 Ų121.583%0.83479%0.789SS**  trans31.6132.7157.2-49.1-18.4000123.8
40G35.4Very low33.3Very low78 Ų78126.5 Ų126.580%0.80479%0.792SS**  trans167.354.8171.100000117.6
41S37.3Very low32.9Very low117 Ų117124.9 Ų124.982%0.81879%0.789SS**  trans-69.5167.8-173.4-50.80000116.2
42P35.1Very low32.9Very low122 Ų122126.7 Ų126.779%0.79279%0.786SS**  cis-141.4120.6-44.635.9-17.5000114
43S35.9Very low32.9Very low129 Ų129132 Ų13290%0.90279%0.791SS**  trans-162.1146.7162.656.70000113.1
44G33.5Very low32.6Very low74 Ų74130.7 Ų130.776%0.76379%0.79SS**  trans69.881.416600000116.8
45L30.5Very low32.4Very low175 Ų175134.3 Ų134.392%0.91679%0.789SS**  trans-62.8159162.3-86.5173.5000111.5
46P35.6Very low32.1Very low88 Ų88134 Ų13457%0.57179%0.791SS**  -129-156.1-123.844.8-31.4000113
47F27.7Very low31.7Very low201 Ų201131.7 Ų131.788%0.88278%0.783SS**  trans35140.2155-64.3-55.6000118.9
48A27.7Very low31.5Very low88 Ų88132.9 Ų132.973%0.72779%0.79SS**  cis178152.10.900000103.5
49G28.5Very low31.2Very low77 Ų77132.9 Ų132.979%0.79479%0.791SS**  trans-15762.9-167.500000114.8
50Y32.8Very low30.8Very low222 Ų222136 Ų13687%0.87179%0.791SS**  trans4.3111.9165.3-72.9-91.2000118.2P52Y50-P52 WeakPolarHBondContact O-CD 3.31Å
51A28.5Very low30.6Very low95 Ų95140 Ų14079%0.78579%0.793SS**  trans-85.3120.3153.400000110.1
52P33.4Very low30.2Very low120 Ų120141.4 Ų141.478%0.77979%0.792SS**  trans-94104.8165.133.1-28.4000110.5Y50Y50-P52 WeakPolarHBondContact O-CD 3.31Å
53F27.8Very low30.1Very low175 Ų175142.5 Ų142.577%0.76879%0.79SS**  trans7.4120.2157.3-76.7-94.4000119.3R55F53-R55 HydrophobicContact CB-CG 4.39Å; F53-R55 PolarHBondContact O-N 3.11Å
54V26.6Very low29.9Very low137 Ų137141.8 Ų141.883%0.8378%0.782SS**  trans-56106.6147178.10000108.6
55R27.8Very low29.7Very low200 Ų200145.7 Ų145.776%0.75578%0.784SS**  trans-119.3105.3165.7-90.9-171.2173.4-170.9-0.9110.2F53 L57F53-R55 HydrophobicContact CB-CG 4.39Å; F53-R55 PolarHBondContact O-N 3.11Å; R55-L57 PolarHBondContact O-N 3.34Å; R55-L57 VanDerWaalsContact O-N 3.14Å
56N27.1Very low29.8Very low149 Ų149144.3 Ų144.380%0.79778%0.776SS**  trans-56.1113.8155.2-69-62.1000108
57L28.3Very low29.5Very low119 Ų119147 Ų14762%0.62379%0.786SS**  trans-125.990.3176.5-150.778000109.9R55 L59R55-L57 PolarHBondContact O-N 3.34Å; R55-L57 VanDerWaalsContact O-N 3.14Å; L57-L59 HydrophobicContact CD2-CD1 3.96Å; L57-L59 HydrophobicContact CD2-CD2 4.37Å; L57-L59 HydrophobicContact CD2-CG 4.06Å; L57-L59 HydrophobicContact CG-CG 4.26Å; L57-L59 PolarHBondContact O-N 3.05Å
58C26.2Very low29.7Very low127 Ų127143.3 Ų143.386%0.85878%0.78SS**  trans-67.589.8175.2-62.50000110.6R60C58-R60 PolarHBondContact O-N 3.49Å
59L33.1Very low29.7Very low141 Ų141142.8 Ų142.874%0.73878%0.775SS**  trans-94.790.5174.1-71-177.6000111.6L57 L61L57-L59 HydrophobicContact CD2-CD1 3.96Å; L57-L59 HydrophobicContact CD2-CD2 4.37Å; L57-L59 HydrophobicContact CD2-CG 4.06Å; L57-L59 HydrophobicContact CG-CG 4.26Å; L57-L59 PolarHBondContact O-N 3.05Å; L59-L61 PolarHBondContact O-N 3.12Å
60R27.2Very low29.9Very low222 Ų222147.1 Ų147.184%0.83878%0.78SS**  trans-2.1107.3154.2-62.7174.7172.2-176.7-4.8115.9C58C58-R60 PolarHBondContact O-N 3.49Å
61L33.1Very low29.8Very low162 Ų162143.7 Ų143.785%0.84878%0.775SS**  trans-97.7108.9146.3-75.3174.2000108.3L59 L63L59-L61 PolarHBondContact O-N 3.12Å; L61-L63 PolarHBondContact O-N 3.45Å
62N28.2Very low30Very low147 Ų147146.8 Ų146.879%0.78678%0.777SS**  trans-72.4106.2171.7-78.2-24.2000109
63L33Very low29.9Very low144 Ų144146.4 Ų146.475%0.75478%0.775SS**  trans-87.8130.5157.3-89.771.2000108.6L61 I65L61-L63 PolarHBondContact O-N 3.45Å; L63-I65 PolarHBondContact O-N 3.21Å; L63-I65 VanDerWaalsContact O-N 3.12Å
64P31Very low29.9Very low114 Ų114145.9 Ų145.974%0.7478%0.779SS**  trans-71.6107176.628.7-32.9000110I66P64-I66 PolarHBondContact O-N 3.09Å
65I29.6Very low30.4Very low157 Ų157145.3 Ų145.381%0.80578%0.778SS**  trans-70.5100.5167.6-60.3176.9000107.4L63 N67L63-I65 PolarHBondContact O-N 3.21Å; L63-I65 VanDerWaalsContact O-N 3.12Å; I65-N67 PolarHBondContact O-N 2.97Å
66I33.6Very low30.6Very low145 Ų145143.2 Ų143.274%0.74478%0.782SS**  trans-69.1101.7173.1-61.1178.3000107.7P64 T68P64-I66 PolarHBondContact O-N 3.09Å; I66-T68 PolarHBondContact O-N 3.37Å
67N27.3Very low30.8Very low145 Ų145142 Ų14278%0.77578%0.782SS**  trans-90.392.9-174.8-172.415.5000110.7I65I65-N67 PolarHBondContact O-N 2.97Å
68T33.2Very low31Very low123 Ų123139.8 Ų139.876%0.75579%0.788SS**  trans-122.7113.7169.138.20000109.8I66I66-T68 PolarHBondContact O-N 3.37Å
69A28.1Very low31.2Very low77 Ų77141.3 Ų141.364%0.63679%0.793SS**  trans-78.2155-173.900000113.2
70N33Very low31Very low168 Ų168137.8 Ų137.890%0.89879%0.791SS**  trans-148.4152.8130.1-119-34.2000111.5
71I29.2Very low31.3Very low150 Ų150134 Ų13477%0.76979%0.792SS**  trans-113.8112.7-158.2-58.6163.7000110.6
72I33.5Very low31.3Very low161 Ų161132.9 Ų132.983%0.82679%0.785SS**  trans-140.6128.6162.7-55.6-177.6000108.1
73P30.4Very low31.5Very low112 Ų112132 Ų13273%0.72779%0.788SS**PPolyproline II helixtrans-89.3158.8-169.234.6-36.7000115.1
74L29.2Very low31.3Very low164 Ų164130.1 Ų130.186%0.85979%0.786SS**PPolyproline II helixtrans-70.8140168.8-92.765.3000112
75P36.8Very low31.4Very low124 Ų124131.2 Ų131.281%0.80579%0.791SS**PPolyproline II helixtrans-74.1143.8156.8-12.729.4000111.5
76N32.2Very low31.3Very low156 Ų156128.1 Ų128.183%0.83478%0.783SS**PPolyproline II helixtrans-84.1146.1-175.5-145.320.8000111.6G78N76-G78 PolarHBondContact O-N 3.25Å
77P30.9Very low31Very low125 Ų125132 Ų13281%0.81279%0.79SS**PPolyproline II helixtrans-75.5122.6173.130-32.3000111
78G32.2Very low31Very low72 Ų72129.5 Ų129.574%0.74279%0.789SS**  trans-148.4108-173.400000114.5N76N76-G78 PolarHBondContact O-N 3.25Å
79V30.9Very low31Very low159 Ų159129.2 Ų129.296%0.96479%0.789SS**  trans-21.5127.9166.8-176.70000116.2
80G28.1Very low31.2Very low67 Ų67132.9 Ų132.969%0.69180%0.804SS**  trans-171.971.2177.100000118.4
81V34.5Very low31.1Very low141 Ų141128.2 Ų128.286%0.85580%0.796SS**  trans47.7124.6150.7-161.40000120.7
82I32.8Very low31.1Very low140 Ų140127.3 Ų127.372%0.71880%0.801SS**  trans-93.2148.2170.3-60162.4000110.7
83P32.3Very low31.3Very low128 Ų128124.9 Ų124.983%0.83180%0.796SS**  trans-127.6127.8139.634.7-24.9000113.2
84S28.9Very low31.3Very low104 Ų104126.4 Ų126.473%0.72780%0.798SS**  trans-99.8138.9179.3-39.10000111.7
85V32.5Very low31.5Very low138 Ų138124.5 Ų124.584%0.83680%0.796SS**  trans-145114.3156.1-176.40000112.4
86S28.1Very low31.1Very low92 Ų92124.4 Ų124.464%0.64379%0.792SS**  trans25.2138142.3-57.70000125.4
87Y26.4Very low31.1Very low227 Ų227124.8 Ų124.889%0.8979%0.794SS**  31.7145.5122.6-60.4-84.2000120.6
88A26.9Very low30.9Very low92 Ų92124.6 Ų124.676%0.7679%0.794SS**  cis-156.8175.617.500000111.5
89P34.4Very low30.6Very low116 Ų116130.7 Ų130.775%0.75380%0.796SS**  trans-106.5153.1-166.138.7-33.6000117.1
90T33Very low30.5Very low154 Ų154129.6 Ų129.695%0.94579%0.792SS**  trans-168.8137.8148.725.20000113.9
91G30.3Very low30.6Very low71 Ų71131.3 Ų131.373%0.73279%0.789SS**  trans86.785.2141.300000122.6
92C28.5Very low30.3Very low130 Ų130129.5 Ų129.588%0.87878%0.783SS**  53.9163129.8-67.20000123.2
93P37.2Very low30.1Very low110 Ų110128.4 Ų128.471%0.71478%0.783SS**  cis-134.1165.2-16.335.5-17.6000116.7
94N31.2Very low29.9Very low145 Ų145128.7 Ų128.778%0.77578%0.782SS**  trans66.6161.8155.1-95.5-8.5000120.3
95P32.8Very low29.8Very low123 Ų123131.9 Ų131.980%0.79979%0.786SS**  cis-107.9161.5-3.639-29.9000114.9
96V28.2Very low29.6Very low122 Ų122131.2 Ų131.274%0.73978%0.782SS**  trans-87136.5-178.5176.20000111.9
97L32.2Very low29.6Very low164 Ų164131.1 Ų131.186%0.85979%0.787SS**  trans-111140.1162.1-93.2164.9000109.9
98C27.3Very low29.8Very low122 Ų122129.4 Ų129.482%0.82479%0.787SS**  trans-79.8123.3-156.6-57.90000114.8
99Y25.4Very low29.9Very low199 Ų199129.8 Ų129.878%0.7878%0.784SS**  trans-91.4143.6152.3-76.4-101.9000109.7T101Y99-T101 WeakPolarHBondContact CB-OG1 3.42Å; Y99-T101 PolarHBondContact O-N 2.99Å; Y99-T101 VanDerWaalsContact O-N 3.09Å
100P30.5Very low29.9Very low137 Ų137131.4 Ų131.489%0.8979%0.791SS**  trans-75.280148.232.4-29.7000108.3
101T29.9Very low30Very low102 Ų102131.4 Ų131.463%0.62678%0.784SS**  trans-62.2146.3-179.5-52.90000111.2Y99 V103Y99-T101 WeakPolarHBondContact CB-OG1 3.42Å; Y99-T101 PolarHBondContact O-N 2.99Å; Y99-T101 VanDerWaalsContact O-N 3.09Å; T101-V103 PolarHBondContact O-N 3.2Å
102S28Very low30.1Very low103 Ų103131.7 Ų131.772%0.7279%0.786SS**  trans-50118.1178.453.40000113.4T104S102-T104 PolarHBondContact O-N 3.25Å
103V29.2Very low30.1Very low118 Ų118131.4 Ų131.472%0.71579%0.786SS**  trans-89.195.1169.6179.50000109.4T101 Q105T101-V103 PolarHBondContact O-N 3.2Å; V103-Q105 HydrophobicContact CG1-CB 4.36Å; V103-Q105 HydrophobicContact CG1-CG 3.82Å; V103-Q105 PolarHBondContact O-N 2.98Å; V103-Q105 VanDerWaalsContact O-N 3.17Å
104T26.5Very low29.8Very low134 Ų134129 Ų12982%0.82278%0.782SS**  trans-71.697.3160.519.30000109.1S102S102-T104 PolarHBondContact O-N 3.25Å
105Q28.2Very low29.8Very low170 Ų170128.7 Ų128.779%0.79479%0.788SS**  trans-106.2105.5163-87.4-173.17.800111.2V103V103-Q105 HydrophobicContact CG1-CB 4.36Å; V103-Q105 HydrophobicContact CG1-CG 3.82Å; V103-Q105 PolarHBondContact O-N 2.98Å; V103-Q105 VanDerWaalsContact O-N 3.17Å
106T28.1Very low29.8Very low125 Ų125128.3 Ų128.377%0.76779%0.788SS**  trans8.4121.4147.5-45.50000117.1
107A26.7Very low30.1Very low90 Ų90127.8 Ų127.874%0.74478%0.781SS**  trans-65.7137.6177.500000113.5
108H31.6Very low30.2Very low190 Ų190126.3 Ų126.388%0.8878%0.781SS**  trans-126.2118.4147.7-82.9-77.1000108.3
109S29Very low30.5Very low100 Ų100123.2 Ų123.270%0.69976%0.761SS**  trans-95.7138.1-178.251.90000112
110V34Very low31Very low150 Ų150120.2 Ų120.291%0.90976%0.763SS**  trans-131.9138.4147.4-177.90000106.3
111I34.2Very low31.5Very low155 Ų155121.1 Ų121.180%0.79576%0.755SS**  trans-109.5135.3-165.8-63.7165.4000109.7
112G33.1Very low31.8Very low76 Ų76122.3 Ų122.378%0.78476%0.762SS**  trans-154.6118.7169.400000109.3
113S29.2Very low32.4Very low124 Ų124122.9 Ų122.987%0.86776%0.756SS**  trans-98.7132.1-161.356.20000114.4
114G30.6Very low32.8Very low61 Ų61123.4 Ų123.463%0.62976%0.759SS**  trans-163.8150.4160.200000109.9S116G114-S116 PolarHBondContact O-N 3.23Å; G114-S116 VanDerWaalsContact O-N 3.13Å
115P30.1Very low33.6Very low138 Ų138128 Ų12890%0.89676%0.761SS**  trans-68.3111.317828-32.9000109.6D117P115-D117 PolarHBondContact O-N 3.09Å; P115-D117 VanDerWaalsContact O-N 3.17Å
116S34.2Very low34.5Very low115 Ų115122.5 Ų122.580%0.80475%0.75SS**  trans-70.510917954.60000110.6G114G114-S116 PolarHBondContact O-N 3.23Å; G114-S116 VanDerWaalsContact O-N 3.13Å
117D33.4Very low35.4Very low111 Ų111122.3 Ų122.359%0.59475%0.751SS**  trans-52127.2-179.9-178.531.1000112.6P115 S119P115-D117 PolarHBondContact O-N 3.09Å; P115-D117 VanDerWaalsContact O-N 3.17Å; D117-S119 VanDerWaalsContact CG-OG 3.28Å; D117-S119 PolarHBondContact O-N 3.05Å; D117-S119 WeakPolarHBondContact OD2-CB 3.46Å; D117-S119 PolarHBondContact OD2-OG 3.42Å
118P35.8Very low36.2Very low132 Ų132122.9 Ų122.986%0.85775%0.745SS**SBendtrans-77.253.2-179.533.6-38.1000112.7
119S33.5Very low36.7Very low58 Ų58121.7 Ų121.741%0.40674%0.742SS.*  trans-122.97.4-172.7700000115.2D117 H121D117-S119 VanDerWaalsContact CG-OG 3.28Å; D117-S119 PolarHBondContact O-N 3.05Å; D117-S119 WeakPolarHBondContact OD2-CB 3.46Å; D117-S119 PolarHBondContact OD2-OG 3.42Å; S119-H121 PolarHBondContact O-N 2.86Å; S119-H121 PolarHBondContact O-ND1 3.34Å
120V35.5Very low37.2Very low135 Ų135126.3 Ų126.382%0.81875%0.745SS**  trans-70.987.3178.7-173.70000111.2T122V120-T122 PolarHBondContact O-N 3.34Å
121H40.4Very low37.6Very low156 Ų156125.8 Ų125.872%0.72274%0.742SS**  trans-83.3111.5177.7-71.867.6000111.1S119 I123S119-H121 PolarHBondContact O-N 2.86Å; S119-H121 PolarHBondContact O-ND1 3.34Å; H121-I123 PolarHBondContact O-N 2.97Å
122T36Very low37.8Very low127 Ų127123.7 Ų123.778%0.77974%0.742SS**  trans-72.793.7173.5-58.40000110.7V120 V124V120-T122 PolarHBondContact O-N 3.34Å; T122-V124 PolarHBondContact O-N 3.47Å; T122-V124 VanDerWaalsContact O-N 3.09Å
123I41Very low38Very low115 Ų115124.4 Ų124.459%0.5974%0.74SS**  trans-74.198.8176.1-57.2175.6000109.7H121 R125 Y165H121-I123 PolarHBondContact O-N 2.97Å; I123-R125 PolarHBondContact O-N 3.2Å; I123-Y165 HydrophobicContact CD1-CE2 4.49Å
124V38.1Very low38.3Very low129 Ų129123.7 Ų123.778%0.78274%0.735SS**  trans-68.9112.1167.1-1790000108.4T122 G126T122-V124 PolarHBondContact O-N 3.47Å; T122-V124 VanDerWaalsContact O-N 3.09Å; V124-G126 PolarHBondContact O-N 2.94Å
125R43.9Very low38.5Very low231 Ų231126.3 Ų126.387%0.87274%0.744SS**PPolyproline II helixtrans-75.1118.9177.2-69-176.7176.2-174.2-1.6110.3I123I123-R125 PolarHBondContact O-N 3.2Å
126G46.1Very low38.8Very low54 Ų54127.4 Ų127.456%0.55774%0.737SS**PPolyproline II helixtrans-65.5157.7162.800000111.5V124 V128V124-G126 PolarHBondContact O-N 2.94Å; G126-V128 PolarHBondContact O-N 3.4Å
127P47Very low38.8Very low121 Ų121129.3 Ų129.379%0.78674%0.738SS**PPolyproline II helixtrans-65.7125179.927-33.9000111.3M129P127-M129 PolarHBondContact O-N 3.43Å
128V43.9Very low38.9Very low103 Ų103132.4 Ų132.462%0.62475%0.754SS**  trans-81.4110.8170.4177.10000108.1G126 Y130G126-V128 PolarHBondContact O-N 3.4Å; V128-Y130 HydrophobicContact CB-CE2 4.41Å; V128-Y130 HydrophobicContact CG1-CE1 4.41Å; V128-Y130 HydrophobicContact CG1-CE2 4.35Å; V128-Y130 WeakPolarHBondContact O-CD2 3.15Å; V128-Y130 PolarHBondContact O-N 3.22Å
129M41.4Very low39.1Very low165 Ų165133 Ų13381%0.81375%0.748SS**  trans-74.3104.6173-68.8-63.5-71.200109.5P127 T131P127-M129 PolarHBondContact O-N 3.43Å; M129-T131 PolarHBondContact O-N 2.98Å
130Y39.4Very low39.2Very low197 Ų197137.9 Ų137.977%0.77377%0.765SS**  trans-75.5104.1172.1-64.7-86.3000109.8V128 S132V128-Y130 HydrophobicContact CB-CE2 4.41Å; V128-Y130 HydrophobicContact CG1-CE1 4.41Å; V128-Y130 HydrophobicContact CG1-CE2 4.35Å; V128-Y130 WeakPolarHBondContact O-CD2 3.15Å; V128-Y130 PolarHBondContact O-N 3.22Å; Y130-S132 PolarHBondContact O-N 3.49Å; Y130-S132 VanDerWaalsContact O-N 3.13Å
131T43.4Very low39.1Very low138 Ų138142.5 Ų142.585%0.84777%0.767SS**  trans-75.795.5166.141.80000109.3M129 A133M129-T131 PolarHBondContact O-N 2.98Å; T131-A133 PolarHBondContact O-N 3.15Å
132S37.4Very low38.8Very low112 Ų112139.5 Ų139.578%0.78376%0.764SS**  trans-62.897.8171.9-63.50000110.2Y130 S134Y130-S132 PolarHBondContact O-N 3.49Å; Y130-S132 VanDerWaalsContact O-N 3.13Å; S132-S134 VanDerWaalsContact C-N 3.31Å; S132-S134 PolarHBondContact O-N 3.01Å
133A38.6Very low38.8Very low91 Ų91140.8 Ų140.875%0.75277%0.766SS**  trans-66.890.5172.800000109.5T131 S135T131-A133 PolarHBondContact O-N 3.15Å; A133-S135 PolarHBondContact O-N 3.4Å
134S34.9Very low38.4Very low109 Ų109138.9 Ų138.976%0.76278%0.775SS**  trans-70.792179.9179.50000110.4S132 H136S132-S134 VanDerWaalsContact C-N 3.31Å; S132-S134 PolarHBondContact O-N 3.01Å; S134-H136 PolarHBondContact O-N 2.95Å
135S33.7Very low38.4Very low116 Ų116140.3 Ų140.381%0.81178%0.777SS**  trans-69.574.1176.8-60.50000112A133A133-S135 PolarHBondContact O-N 3.4Å
136H36.6Very low38Very low161 Ų161138.1 Ų138.175%0.74578%0.776SS**  trans-149.276.8178.2-127.3-76.1000112.2S134S134-H136 PolarHBondContact O-N 2.95Å
137D34.7Very low37.4Very low155 Ų155140.3 Ų140.383%0.82978%0.782SS**  -174.6108.8129.5-94.1-16.7000110.2
138L35.7Very low36.9Very low176 Ų176139.7 Ų139.792%0.92178%0.781SS**  trans-131.850.9-176.7-166.284.7000110.8
139I39.4Very low36.5Very low145 Ų145142 Ų14274%0.74479%0.79SS**  trans-134.4131.9-179.2-65.7-177.5000110
140Q35.7Very low36.4Very low160 Ų160139.3 Ų139.375%0.74878%0.783SS**  trans72.1104.4-177-64.5168.657.700113.6
141R33.4Very low36.3Very low232 Ų232139.8 Ų139.888%0.87579%0.789SS**  71.1134.777.4-72.5174.1-174.2172.2-0.1111.5
142S34.8Very low36.4Very low92 Ų92140.5 Ų140.564%0.64379%0.786SS**  cis-178.8155.30.949.70000107.4
143N35.7Very low37.1Very low154 Ų154144.4 Ų144.482%0.82479%0.789SS**  cis-160.5152.733.9-79.4-66.4000111.3
144G32.6Very low37.5Very low76 Ų76148.6 Ų148.678%0.78479%0.793SS**  trans75.8158.515900000117
145I37.2Very low38Very low159 Ų159147.9 Ų147.982%0.81578%0.777SS**  cis-140126.1-7.3-98.8170.8000108.7
146H37.3Very low38.6Very low185 Ų185145 Ų14586%0.85676%0.757SS**  trans49.1118.1161.2-70-96.2000121.7
147S32.6Very low39.3Very low99 Ų99141.6 Ų141.669%0.69275%0.75SS**  trans-74.3157.3170.7-177.90000113.6
148S37.2Very low40.4Very low108 Ų108138 Ų13876%0.75574%0.735SS**  trans-134.3113.8148.954.10000110.7T150S148-T150 PolarHBondContact O-N 3.37Å
149D34.1Very low41.6Very low151 Ų151133 Ų13381%0.80771%0.709SS**  trans-68.2114.8-174.5-70.3-71.9000112.9
150T39Very low42.6Very low109 Ų109132.5 Ų132.567%0.66970%0.698SS**  trans-110.3104.6159.152.40000108.7S148 I152S148-T150 PolarHBondContact O-N 3.37Å; T150-I152 PolarHBondContact O-N 2.98Å
151K37.7Very low44.1Very low207 Ų207130.5 Ų130.590%0.969%0.691SS**  trans-6299.9-179.2-69.4-172.7177.9-1740110.6K153K151-K153 PolarHBondContact O-N 2.98Å
152I47.2Very low46Very low153 Ų153124 Ų12479%0.78568%0.676SS**  trans-63.8117.5162.5-58.3176000106.2T150 E154T150-I152 PolarHBondContact O-N 2.98Å; I152-E154 PolarHBondContact O-N 3.38Å
153K51.8Low47.6Very low195 Ų195121.4 Ų121.485%0.84866%0.661SS**  trans-64.8120.1166.7-92.2-173.8170-174.30107.5K151 E155K151-K153 PolarHBondContact O-N 2.98Å; K153-E155 PolarHBondContact O-N 3.45Å
154E46.6Very low49.1Very low179 Ų179117.8 Ų117.884%0.83665%0.648SS**  trans-67.498.6169-63.2-169.8132.500108.8I152 S156I152-E154 PolarHBondContact O-N 3.38Å; E154-S156 PolarHBondContact O-N 3.27Å
155E46.3Very low50.9Low93 Ų93121.6 Ų121.644%0.43564%0.64SS.*  trans-63.9125.3171.7-178.5165.5-153.300108.7K153 D159 R160K153-E155 PolarHBondContact O-N 3.45Å; E155-D159 HydrophobicContact CG-CB 3.53Å; E155-R160 HydrophobicContact CG-CG 4.44Å; E155-R160 VanDerWaalsContact O-CZ 3.27Å; E155-R160 PolarHBondContact O-NE 3.01Å; E155-R160 PolarHBondContact O-NH2 3.08Å
156S44.8Very low52.5Low56 Ų56115.9 Ų115.939%0.39262%0.616SS.*  trans-67.3154.5-163.6-48.90000110.8E154 P158 D159 R160E154-S156 PolarHBondContact O-N 3.27Å; S156-P158 VanDerWaalsContact C-CD 3.48Å; S156-P158 VanDerWaalsContact C-N 3.34Å; S156-D159 WeakPolarHBondContact CB-OD2 3.38Å; S156-D159 PolarHBondContact N-OD2 3.25Å; S156-D159 WeakPolarHBondContact O-CB 3.43Å; S156-D159 PolarHBondContact O-N 2.95Å; S156-D159 PolarHBondContact OG-OD2 2.93Å; S156-R160 PolarHBondContact O-N 2.98Å
157P52.2Low54.2Low90 Ų90109.8 Ų109.858%0.58460%0.597SS**Hα-helixtrans-46.6-44.4175-29.336.1000115.6R160 I161P157-R160 PolarHBondContact O-N 2.97Å; P157-I161 VanDerWaalsContact O-CG1 3.31Å; P157-I161 WeakPolarHBondContact O-CG1 3.5Å; P157-I161 PolarHBondContact O-N 3.49Å; P157-I161 VanDerWaalsContact O-N 3.11Å
158P57.5Low56.2Low79 Ų79108 Ų10851%0.51359%0.588SS.*Hα-helixtrans-62.8-41.1174.123.8-35000113.4S156 R160 I161 V162S156-P158 VanDerWaalsContact C-CD 3.48Å; S156-P158 VanDerWaalsContact C-N 3.34Å; P158-R160 VanDerWaalsContact C-N 3.34Å; P158-R160 PolarHBondContact O-N 3.48Å; P158-I161 PolarHBondContact O-N 3.02Å; P158-I161 VanDerWaalsContact O-N 3.11Å; P158-V162 WeakPolarHBondContact O-CG2 3.44Å; P158-V162 PolarHBondContact O-N 3.05Å
159D60.3Low57.7Low72 Ų72105.1 Ų105.139%0.38557%0.572SS.*Hα-helixtrans-61.3-44.4179.8-53-37.3000110.4E155 S156 I161 V162 A163E155-D159 HydrophobicContact CG-CB 3.53Å; S156-D159 WeakPolarHBondContact CB-OD2 3.38Å; S156-D159 PolarHBondContact N-OD2 3.25Å; S156-D159 WeakPolarHBondContact O-CB 3.43Å; S156-D159 PolarHBondContact O-N 2.95Å; S156-D159 PolarHBondContact OG-OD2 2.93Å; D159-I161 VanDerWaalsContact C-N 3.33Å; D159-I161 PolarHBondContact O-N 2.91Å; D159-V162 PolarHBondContact O-N 2.78Å; D159-A163 VanDerWaalsContact O-CB 3.32Å; D159-A163 WeakPolarHBondContact O-CB 3.45Å; D159-A163 PolarHBondContact O-N 3.12Å
160R60.9Low59Low134 Ų134101.1 Ų101.151%0.50655%0.548SS..Hα-helixtrans-61.4-36173.5-94.6179.6-83.6177.8-7.6113.3E155 S156 P157 P158 S164E155-R160 HydrophobicContact CG-CG 4.44Å; E155-R160 VanDerWaalsContact O-CZ 3.27Å; E155-R160 PolarHBondContact O-NE 3.01Å; E155-R160 PolarHBondContact O-NH2 3.08Å; S156-R160 PolarHBondContact O-N 2.98Å; P157-R160 PolarHBondContact O-N 2.97Å; P158-R160 VanDerWaalsContact C-N 3.34Å; P158-R160 PolarHBondContact O-N 3.48Å; R160-S164 VanDerWaalsContact O-CB 3.29Å; R160-S164 WeakPolarHBondContact O-CB 3.35Å; R160-S164 PolarHBondContact O-N 3.32Å; R160-S164 PolarHBondContact O-OG 3.47Å
161I66.7Low60.4Low118 Ų11898.6 Ų98.661%0.60554%0.538SS*.Hα-helixtrans-69.8-44.4175.4-68.2164.1000110.6P157 P158 D159 S164 Y165P157-I161 VanDerWaalsContact O-CG1 3.31Å; P157-I161 WeakPolarHBondContact O-CG1 3.5Å; P157-I161 PolarHBondContact O-N 3.49Å; P157-I161 VanDerWaalsContact O-N 3.11Å; P158-I161 PolarHBondContact O-N 3.02Å; P158-I161 VanDerWaalsContact O-N 3.11Å; D159-I161 VanDerWaalsContact C-N 3.33Å; D159-I161 PolarHBondContact O-N 2.91Å; I161-S164 PolarHBondContact O-N 3.38Å; I161-Y165 WeakPolarHBondContact O-CB 3.4Å; I161-Y165 PolarHBondContact O-N 2.99Å
162V74.3Confident61.7Low94 Ų9491.2 Ų91.257%0.5752%0.516SS*.Hα-helixtrans-63.6-43.9177172.10000111P158 D159 Y165 A166P158-V162 WeakPolarHBondContact O-CG2 3.44Å; P158-V162 PolarHBondContact O-N 3.05Å; D159-V162 PolarHBondContact O-N 2.78Å; V162-Y165 PolarHBondContact O-N 2.98Å; V162-A166 WeakPolarHBondContact O-CB 3.3Å; V162-A166 PolarHBondContact O-N 3.3Å
163A67.7Low62.3Low38 Ų3884.9 Ų84.931%0.31449%0.486SS..Hα-helixtrans-62.9-41.3175.300000112D159 A166 A167D159-A163 VanDerWaalsContact O-CB 3.32Å; D159-A163 WeakPolarHBondContact O-CB 3.45Å; D159-A163 PolarHBondContact O-N 3.12Å; A163-A166 PolarHBondContact O-N 3.03Å; A163-A167 VanDerWaalsContact O-CB 3.32Å; A163-A167 WeakPolarHBondContact O-CB 3.23Å; A163-A167 PolarHBondContact O-N 2.81Å
164S67.6Low62.7Low79 Ų7980.3 Ų80.355%0.55247%0.471SS*.Hα-helixtrans-65.2-40.3175.6-59.60000112R160 I161 A167 A168R160-S164 VanDerWaalsContact O-CB 3.29Å; R160-S164 WeakPolarHBondContact O-CB 3.35Å; R160-S164 PolarHBondContact O-N 3.32Å; R160-S164 PolarHBondContact O-OG 3.47Å; I161-S164 PolarHBondContact O-N 3.38Å; S164-A167 PolarHBondContact O-N 3.25Å; S164-A168 WeakPolarHBondContact O-CB 3.46Å; S164-A168 PolarHBondContact O-N 2.82Å
165Y70Confident63.2Low156 Ų15675.6 Ų75.661%0.61246%0.462SS*.Hα-helixtrans-67.5-41.9175.9-171.6-97.9000111.9I123 I161 V162 A168 A169I123-Y165 HydrophobicContact CD1-CE2 4.49Å; I161-Y165 WeakPolarHBondContact O-CB 3.4Å; I161-Y165 PolarHBondContact O-N 2.99Å; V162-Y165 PolarHBondContact O-N 2.98Å; Y165-A168 PolarHBondContact O-N 2.98Å; Y165-A169 VanDerWaalsContact O-CB 3.29Å; Y165-A169 WeakPolarHBondContact O-CB 3.5Å; Y165-A169 PolarHBondContact O-N 3.03Å
166A71.8Confident63.6Low39 Ų3975.3 Ų75.332%0.32247%0.469SS..Hα-helixtrans-63.3-41.8174.600000112V162 A163 A169 H170V162-A166 WeakPolarHBondContact O-CB 3.3Å; V162-A166 PolarHBondContact O-N 3.3Å; A163-A166 PolarHBondContact O-N 3.03Å; A166-A169 PolarHBondContact O-N 3.05Å; A166-H170 VanDerWaalsContact O-CB 3.28Å; A166-H170 WeakPolarHBondContact O-CB 3.41Å; A166-H170 PolarHBondContact O-N 3.06Å
167A72.8Confident64.1Low56 Ų5681 Ų8146%0.46349%0.49SS..Hα-helixtrans-65.6-41.7175.300000112.4A163 S164 H170 A171A163-A167 VanDerWaalsContact O-CB 3.32Å; A163-A167 WeakPolarHBondContact O-CB 3.23Å; A163-A167 PolarHBondContact O-N 2.81Å; S164-A167 PolarHBondContact O-N 3.25Å; A167-H170 PolarHBondContact O-N 3.4Å; A167-A171 WeakPolarHBondContact O-CB 3.5Å; A167-A171 PolarHBondContact O-N 3.06Å
168A73.6Confident64.2Low61 Ų6183 Ų8350%0.50449%0.491SS..Hα-helixtrans-65.7-42.4175.400000112.1S164 Y165 A171 A172S164-A168 WeakPolarHBondContact O-CB 3.46Å; S164-A168 PolarHBondContact O-N 2.82Å; Y165-A168 PolarHBondContact O-N 2.98Å; A168-A171 PolarHBondContact O-N 2.99Å; A168-A172 WeakPolarHBondContact O-CB 3.49Å; A168-A172 PolarHBondContact O-N 3.46Å
169A69.3Low63.8Low49 Ų4985.2 Ų85.241%0.40551%0.506SS..Hα-helixtrans-64.6-38.2174.800000112.1Y165 A166 A172 A173Y165-A169 VanDerWaalsContact O-CB 3.29Å; Y165-A169 WeakPolarHBondContact O-CB 3.5Å; Y165-A169 PolarHBondContact O-N 3.03Å; A166-A169 PolarHBondContact O-N 3.05Å; A169-A172 PolarHBondContact O-N 2.78Å; A169-A173 WeakPolarHBondContact O-CB 3.42Å; A169-A173 PolarHBondContact O-N 3.32Å
170H62Low63.4Low66 Ų6684.1 Ų84.131%0.30650%0.499SS..Hα-helixtrans-65.9-44174.2-175.1-91.8000111.9A166 A167 A172 A173 L174 L188A166-H170 VanDerWaalsContact O-CB 3.28Å; A166-H170 WeakPolarHBondContact O-CB 3.41Å; A166-H170 PolarHBondContact O-N 3.06Å; A167-H170 PolarHBondContact O-N 3.4Å; H170-A172 PolarHBondContact O-N 3.18Å; H170-A173 PolarHBondContact O-N 3.36Å; H170-L174 WeakPolarHBondContact O-CG 3.29Å; H170-L174 PolarHBondContact O-N 2.83Å; H170-L188 HydrophobicContact CB-CD1 4.27Å; H170-L188 WeakPolarHBondContact CD2-CD1 3.31Å
171A68.6Low63.4Low56 Ų5681.2 Ų81.246%0.46350%0.499SS..Hα-helixtrans-62.3-41.2174.400000112.1A167 A168 A175A167-A171 WeakPolarHBondContact O-CB 3.5Å; A167-A171 PolarHBondContact O-N 3.06Å; A168-A171 PolarHBondContact O-N 2.99Å; A171-A175 VanDerWaalsContact O-CB 3.3Å; A171-A175 WeakPolarHBondContact O-CB 3.24Å; A171-A175 PolarHBondContact O-N 3.33Å
172A64.4Low62.6Low53 Ų5385.9 Ų85.944%0.43851%0.509SS..Hα-helixtrans-65.8-42.8174.900000112.4A168 A169 H170 L174 A175 C176A168-A172 WeakPolarHBondContact O-CB 3.49Å; A168-A172 PolarHBondContact O-N 3.46Å; A169-A172 PolarHBondContact O-N 2.78Å; H170-A172 PolarHBondContact O-N 3.18Å; A172-L174 PolarHBondContact O-N 3.03Å; A172-A175 PolarHBondContact O-N 2.95Å; A172-C176 WeakPolarHBondContact O-CB 3.49Å; A172-C176 PolarHBondContact O-N 3.5Å; A172-C176 PolarHBondContact O-SG 3.25Å
173A58.4Low61.9Low19 Ų1984.5 Ų84.516%0.15751%0.507CS..Hα-helixtrans-60.8-44176.700000111.8A169 H170 C176 H177 Q178 I180A169-A173 WeakPolarHBondContact O-CB 3.42Å; A169-A173 PolarHBondContact O-N 3.32Å; H170-A173 PolarHBondContact O-N 3.36Å; A173-C176 PolarHBondContact O-N 3.46Å; A173-H177 PolarHBondContact O-N 3.05Å; A173-H177 VanDerWaalsContact O-N 3.1Å; A173-Q178 PolarHBondContact O-N 3.41Å; A173-I180 HydrophobicContact CB-CG1 3.86Å
174L60.7Low61.3Low100 Ų10084.4 Ų84.452%0.52451%0.507SS..Hα-helixtrans-62.3-47.2173.6-70.6175.5000112.1H170 A172 C176 H177 I180H170-L174 WeakPolarHBondContact O-CG 3.29Å; H170-L174 PolarHBondContact O-N 2.83Å; A172-L174 PolarHBondContact O-N 3.03Å; L174-C176 VanDerWaalsContact C-N 3.29Å; L174-C176 PolarHBondContact O-N 3.47Å; L174-H177 PolarHBondContact O-N 2.84Å; L174-I180 HydrophobicContact CD2-CD1 4.2Å; L174-I180 HydrophobicContact CG-CD1 4.48Å
175A57.9Low60.7Low80 Ų8086.2 Ų86.266%0.66151%0.506SS*.Hα-helixtrans-65.6-28.5-179.900000113.6A171 A172A171-A175 VanDerWaalsContact O-CB 3.3Å; A171-A175 WeakPolarHBondContact O-CB 3.24Å; A171-A175 PolarHBondContact O-N 3.33Å; A172-A175 PolarHBondContact O-N 2.95Å
176C53.4Low60.1Low86 Ų8681.3 Ų81.358%0.58150%0.498SS*.THydrogen-bonded Turntrans-97.17.6176.7-64.30000113.7A172 A173 L174 Q178A172-C176 WeakPolarHBondContact O-CB 3.49Å; A172-C176 PolarHBondContact O-N 3.5Å; A172-C176 PolarHBondContact O-SG 3.25Å; A173-C176 PolarHBondContact O-N 3.46Å; L174-C176 VanDerWaalsContact C-N 3.29Å; L174-C176 PolarHBondContact O-N 3.47Å; C176-Q178 HydrophobicContact CB-CG 4.13Å; C176-Q178 PolarHBondContact O-N 3.11Å; C176-Q178 VanDerWaalsContact O-N 3.1Å
177H56.9Low59.5Low177 Ų17787.3 Ų87.382%0.81951%0.514SS*.THydrogen-bonded Turntrans5029.5-174.2-59.1-52.9000114.7A173 L174A173-H177 PolarHBondContact O-N 3.05Å; A173-H177 VanDerWaalsContact O-N 3.1Å; L174-H177 PolarHBondContact O-N 2.84Å
178Q54.2Low58.9Low131 Ų13187.6 Ų87.661%0.61251%0.507SS*.PPolyproline II helixtrans-86.2138.8178.9-68.3-165-7.500110.9A173 C176 I180A173-Q178 PolarHBondContact O-N 3.41Å; C176-Q178 HydrophobicContact CB-CG 4.13Å; C176-Q178 PolarHBondContact O-N 3.11Å; C176-Q178 VanDerWaalsContact O-N 3.1Å; Q178-I180 PolarHBondContact O-N 3.35Å
179P48.8Very low58.2Low126 Ų12687.2 Ų87.282%0.81850%0.504SS*.PPolyproline II helixtrans-65.2118.9178.327-33.7000110.2S181P179-S181 PolarHBondContact O-N 3.06Å
180I51.7Low57.7Low49 Ų4989.1 Ų89.125%0.25151%0.511SS..PPolyproline II helixtrans-60.6132.3175.5-64.5156.2000108.4A173 L174 Q178 A184 E185A173-I180 HydrophobicContact CB-CG1 3.86Å; L174-I180 HydrophobicContact CD2-CD1 4.2Å; L174-I180 HydrophobicContact CG-CD1 4.48Å; Q178-I180 PolarHBondContact O-N 3.35Å; I180-A184 HydrophobicContact CG2-CB 3.81Å; I180-E185 HydrophobicContact CG2-CG 4.06Å
181S60.9Low57.3Low72 Ų7290 Ų9050%0.50352%0.518SS..PPolyproline II helixtrans-68.6144-178.976.10000110.7P179 A183 A184 E185P179-S181 PolarHBondContact O-N 3.06Å; S181-A183 PolarHBondContact O-N 2.98Å; S181-A184 WeakPolarHBondContact O-CA 3.49Å; S181-A184 WeakPolarHBondContact O-CB 3.42Å; S181-A184 PolarHBondContact O-N 2.72Å; S181-A184 PolarHBondContact OG-N 3.06Å; S181-E185 PolarHBondContact O-N 3.23Å
182R50.3Low56.5Low217 Ų21791.2 Ų91.282%0.81952%0.522SS*.Hα-helixtrans-57.4-22.1-179-151.2179-166.8-173.54.1113.6A186R182-A186 WeakPolarHBondContact O-CB 3.48Å; R182-A186 PolarHBondContact O-N 3.21Å; R182-A186 VanDerWaalsContact O-N 3.13Å
183A59.1Low55.6Low64 Ų6498.2 Ų98.253%0.52954%0.539SS..Hα-helixtrans-76.4-36173.100000112.9S181 A186 Y187S181-A183 PolarHBondContact O-N 2.98Å; A183-A186 PolarHBondContact O-N 2.89Å; A183-Y187 PolarHBondContact O-N 3.32Å
184A54.7Low54.9Low37 Ų37104.3 Ų104.331%0.30657%0.569SS.*Hα-helixtrans-71.5-40.317400000111.4I180 S181 A186 Y187 L188I180-A184 HydrophobicContact CG2-CB 3.81Å; S181-A184 WeakPolarHBondContact O-CA 3.49Å; S181-A184 WeakPolarHBondContact O-CB 3.42Å; S181-A184 PolarHBondContact O-N 2.72Å; S181-A184 PolarHBondContact OG-N 3.06Å; A184-A186 VanDerWaalsContact C-N 3.33Å; A184-A186 PolarHBondContact O-N 3.05Å; A184-Y187 PolarHBondContact O-N 3.47Å; A184-L188 WeakPolarHBondContact O-CG 3.45Å; A184-L188 PolarHBondContact O-N 2.87Å
185E54.7Low53.9Low116 Ų116110.4 Ų110.454%0.54259%0.585SS.*Hα-helixtrans-55.3-48.1167.7-74.9-169.5125.300111.2I180 S181 Y187 L188 A189I180-E185 HydrophobicContact CG2-CG 4.06Å; S181-E185 PolarHBondContact O-N 3.23Å; E185-Y187 PolarHBondContact O-N 3.4Å; E185-L188 PolarHBondContact O-N 2.98Å; E185-A189 WeakPolarHBondContact O-CB 3.28Å; E185-A189 PolarHBondContact O-N 2.92Å
186A58.1Low52.7Low53 Ų53111.5 Ų111.544%0.43859%0.588SS.*Hα-helixtrans-60.5-41.7179.700000112.9R182 A183 A184 A189 T190R182-A186 WeakPolarHBondContact O-CB 3.48Å; R182-A186 PolarHBondContact O-N 3.21Å; R182-A186 VanDerWaalsContact O-N 3.13Å; A183-A186 PolarHBondContact O-N 2.89Å; A184-A186 VanDerWaalsContact C-N 3.33Å; A184-A186 PolarHBondContact O-N 3.05Å; A186-A189 PolarHBondContact O-N 3.05Å; A186-T190 WeakPolarHBondContact O-CG2 3.44Å; A186-T190 PolarHBondContact O-N 2.88Å; A186-T190 PolarHBondContact O-OG1 3.2Å
187Y58.4Low51.9Low166 Ų166118.8 Ų118.865%0.65160%0.603SS**Hα-helixtrans-67.9-36.9176.9-103.9-85.5000113.4A183 A184 E185 T190 N191A183-Y187 PolarHBondContact O-N 3.32Å; A184-Y187 PolarHBondContact O-N 3.47Å; E185-Y187 PolarHBondContact O-N 3.4Å; Y187-T190 PolarHBondContact O-OG1 3.46Å; Y187-T190 VanDerWaalsContact O-OG1 3.06Å; Y187-N191 PolarHBondContact O-N 3.06Å; Y187-N191 VanDerWaalsContact O-N 3.16Å
188L60.8Low50.9Low62 Ų62118.5 Ų118.533%0.32560%0.602SS.*Hα-helixtrans-74.2-34.5175.8-66.6170.3000111.3H170 A184 E185 S192H170-L188 HydrophobicContact CB-CD1 4.27Å; H170-L188 WeakPolarHBondContact CD2-CD1 3.31Å; A184-L188 WeakPolarHBondContact O-CG 3.45Å; A184-L188 PolarHBondContact O-N 2.87Å; E185-L188 PolarHBondContact O-N 2.98Å; L188-S192 WeakPolarHBondContact O-CB 3.41Å; L188-S192 PolarHBondContact O-N 2.96Å; L188-S192 VanDerWaalsContact O-N 3.12Å; L188-S192 PolarHBondContact O-OG 3.46Å
189A58.5Low50.1Low53 Ų53116.3 Ų116.344%0.43860%0.601SS.*Hα-helixtrans-67.9-31.2173.800000113E185 A186 S192 Y193E185-A189 WeakPolarHBondContact O-CB 3.28Å; E185-A189 PolarHBondContact O-N 2.92Å; A186-A189 PolarHBondContact O-N 3.05Å; A189-S192 PolarHBondContact O-OG 3.3Å; A189-Y193 WeakPolarHBondContact O-CD2 3.49Å; A189-Y193 WeakPolarHBondContact O-CE2 3.38Å
190T59.5Low49.6Very low88 Ų88120.5 Ų120.554%0.5461%0.606SS.*Hα-helixtrans-79.5-44.7175.249.90000112.7A186 Y187 S192A186-T190 WeakPolarHBondContact O-CG2 3.44Å; A186-T190 PolarHBondContact O-N 2.88Å; A186-T190 PolarHBondContact O-OG1 3.2Å; Y187-T190 PolarHBondContact O-OG1 3.46Å; Y187-T190 VanDerWaalsContact O-OG1 3.06Å; T190-S192 PolarHBondContact O-N 3.31Å
191N53.4Low48.6Very low86 Ų86127.7 Ų127.746%0.4663%0.63SS.*Hα-helixtrans-74.1-23.5-177.8-84.615.5000114.2Y187 Y193 N194Y187-N191 PolarHBondContact O-N 3.06Å; Y187-N191 VanDerWaalsContact O-N 3.16Å; N191-Y193 PolarHBondContact O-N 3.29Å; N191-Y193 VanDerWaalsContact O-N 3.12Å; N191-N194 PolarHBondContact O-N 2.78Å
192S52.6Low47.3Very low80 Ų80129.9 Ų129.956%0.55964%0.643SS**G310 helixtrans-65.6-12.2-179.748.80000115.1L188 A189 T190 N194L188-S192 WeakPolarHBondContact O-CB 3.41Å; L188-S192 PolarHBondContact O-N 2.96Å; L188-S192 VanDerWaalsContact O-N 3.12Å; L188-S192 PolarHBondContact O-OG 3.46Å; A189-S192 PolarHBondContact O-OG 3.3Å; T190-S192 PolarHBondContact O-N 3.31Å; S192-N194 VanDerWaalsContact C-N 3.35Å; S192-N194 PolarHBondContact O-N 3.02Å
193Y44.5Very low46.5Very low201 Ų201131 Ų13179%0.78865%0.647SS**G310 helixtrans-75.4-13.3176.9-77.1-80.5000115.3A189 N191A189-Y193 WeakPolarHBondContact O-CD2 3.49Å; A189-Y193 WeakPolarHBondContact O-CE2 3.38Å; N191-Y193 PolarHBondContact O-N 3.29Å; N191-Y193 VanDerWaalsContact O-N 3.12Å
194N44.9Very low45.2Very low146 Ų146131.8 Ų131.878%0.78165%0.653SS**G310 helixtrans-91.2-3.1-176.5-80-48.5000115.4N191 S192 S196N191-N194 PolarHBondContact O-N 2.78Å; S192-N194 VanDerWaalsContact C-N 3.35Å; S192-N194 PolarHBondContact O-N 3.02Å; N194-S196 PolarHBondContact O-N 3.37Å
195R37.7Very low44.3Very low228 Ų228135 Ų13586%0.8667%0.674SS**SBendtrans-82.7113.1176.4-140.2175.4-160.7-114.41.6110.6R197R195-R197 PolarHBondContact O-N 2.96Å; R195-R197 VanDerWaalsContact O-N 3.13Å
196S33.6Very low43.2Very low103 Ų103136.6 Ų136.672%0.7269%0.686SS**  trans-46.2110.7-169.5-173.20000114.6N194 H198N194-S196 PolarHBondContact O-N 3.37Å; S196-H198 PolarHBondContact O-N 2.77Å
197R36.8Very low41.9Very low240 Ų240144.2 Ų144.291%0.90671%0.705SS**  trans-90.987.6166.6-70.4-171.4179-161.40.6109.5R195 S199R195-R197 PolarHBondContact O-N 2.96Å; R195-R197 VanDerWaalsContact O-N 3.13Å; R197-S199 PolarHBondContact O-N 3.23Å
198H36.5Very low40.5Very low171 Ų171144.2 Ų144.279%0.79272%0.715SS**  trans-63.1128.2171.4-116.4-90.1000110.6S196S196-H198 PolarHBondContact O-N 2.77Å
199S36.4Very low39.1Very low85 Ų85145.4 Ų145.459%0.59473%0.734SS**  trans-90.8134.1-159.6173.20000113.8R197 R201R197-S199 PolarHBondContact O-N 3.23Å; S199-R201 WeakPolarHBondContact OG-CB 3.35Å; S199-R201 PolarHBondContact OG-N 2.96Å
200K38.2Very low37.7Very low213 Ų213148.9 Ų148.993%0.92675%0.75SS**  trans-126.168.9140.1-75.7-163.1176.6-178.40110.7P202K200-P202 VanDerWaalsContact O-CD 3.31Å; K200-P202 WeakPolarHBondContact O-CD 3.41Å
201R32.2Very low36.4Very low201 Ų201150.4 Ų150.476%0.75876%0.759SS**PPolyproline II helixtrans-61.1116.8172.7173.7-177-171.6-171.46.3112.2S199S199-R201 WeakPolarHBondContact OG-CB 3.35Å; S199-R201 PolarHBondContact OG-N 2.96Å
202P32.2Very low35.3Very low118 Ų118151.8 Ų151.877%0.76677%0.771SS**PPolyproline II helixtrans-65.1142.7153.3-1229.2000108.6K200 A204K200-P202 VanDerWaalsContact O-CD 3.31Å; K200-P202 WeakPolarHBondContact O-CD 3.41Å; P202-A204 PolarHBondContact O-N 2.94Å
203R33.1Very low34.3Very low239 Ų239155.4 Ų155.490%0.90278%0.782SS**PPolyproline II helixtrans-63.4137.8176.3-75.8-179.4166.6105.7-5.5109.9
204A32.4Very low33.6Very low81 Ų81150.7 Ų150.767%0.66978%0.779SS**PPolyproline II helixtrans-67.4132.7165.600000108.7P202P202-A204 PolarHBondContact O-N 2.94Å
205S35Very low32.9Very low104 Ų104150.2 Ų150.273%0.72778%0.781SS**PPolyproline II helixtrans-96.5133163.3-169.80000108Y207S205-Y207 PolarHBondContact O-N 3.34Å
206N31.9Very low32.7Very low150 Ų150145.1 Ų145.180%0.80278%0.776SS**  trans-79113.8-178.5-65.8-27.1000109.8
207Y32.3Very low32.6Very low214 Ų214146.3 Ų146.384%0.83978%0.784SS**  trans-122.6117.6157.9-95.4-92000108.7S205 A209S205-Y207 PolarHBondContact O-N 3.34Å; Y207-A209 PolarHBondContact O-N 3.45Å
208L27.9Very low32.4Very low165 Ų165141.7 Ų141.786%0.86478%0.777SS**  trans-75.2117.1170.6-117.872.8000108.3
209A32.4Very low32.2Very low87 Ų87139.6 Ų139.672%0.71978%0.776SS**  trans-122.394.8168.300000108.1Y207 V211Y207-A209 PolarHBondContact O-N 3.45Å; A209-V211 PolarHBondContact O-N 2.91Å; A209-V211 VanDerWaalsContact O-N 3.09Å
210T28.8Very low31.8Very low126 Ų126143.4 Ų143.477%0.77379%0.789SS**  trans-71.5101.3178.2-54.60000109.6
211V31Very low31.4Very low121 Ų121138.2 Ų138.273%0.73378%0.78SS**  trans-97.6107.7170.6-179.30000108.7A209 I213A209-V211 PolarHBondContact O-N 2.91Å; A209-V211 VanDerWaalsContact O-N 3.09Å; V211-I213 PolarHBondContact O-N 3.33Å
212T30.2Very low31.3Very low115 Ų115134.7 Ų134.771%0.70678%0.781SS**  trans-67.3120.2175-51.40000109.8S214T212-S214 PolarHBondContact O-N 3.48Å
213I32.5Very low31.2Very low155 Ų155134.2 Ų134.280%0.79578%0.781SS**  trans-80.3104.7177-57175.2000108.9V211V211-I213 PolarHBondContact O-N 3.33Å
214S30.4Very low31.1Very low103 Ų103130 Ų13072%0.7278%0.775SS**  trans-101.4133.8165.9-67.70000109.7T212 T216T212-S214 PolarHBondContact O-N 3.48Å; S214-T216 PolarHBondContact O-N 3.45Å
215T29.6Very low30.9Very low136 Ų136133.5 Ų133.583%0.83478%0.783SS**  trans-83.7114.2-168.649.10000113.7
216T34.4Very low30.8Very low121 Ų121134 Ų13474%0.74278%0.782SS**  trans-133.9148.3155.348.80000110.5S214 N218S214-T216 PolarHBondContact O-N 3.45Å; T216-N218 PolarHBondContact O-N 3.32Å
217S29.7Very low30.5Very low128 Ų128137.2 Ų137.290%0.89578%0.782SS**  trans-85.988.8-163.6-53.40000113.3
218N33Very low30.5Very low142 Ų142131.5 Ų131.576%0.75977%0.774SS**  trans-92.6133.3173.6-73.21000112.2T216T216-N218 PolarHBondContact O-N 3.32Å
219T31.9Very low30.4Very low127 Ų127129.7 Ų129.778%0.77977%0.765SS**  trans-66.6137.6173.5450000111.4S221T219-S221 PolarHBondContact O-N 2.92Å
220L29.4Very low30.4Very low165 Ų165135.6 Ų135.686%0.86477%0.77SS**  trans-72.1101.1177.1-8074.9000111
221S30.2Very low30.5Very low104 Ų104136.9 Ų136.973%0.72777%0.77SS**  trans-86.7119.4157.5-63.30000108.8T219 S223T219-S221 PolarHBondContact O-N 2.92Å; S221-S223 PolarHBondContact O-N 3.34Å; S221-S223 VanDerWaalsContact O-N 3.07Å
222T28.9Very low30.2Very low128 Ų128137 Ų13779%0.78578%0.777SS**  trans-82.180.9179.951.70000111.6L224T222-L224 PolarHBondContact O-N 2.84Å
223S30.6Very low30.2Very low108 Ų108136.9 Ų136.976%0.75578%0.781SS**  trans-73.2119.5164.544.80000110.2S221 D225S221-S223 PolarHBondContact O-N 3.34Å; S221-S223 VanDerWaalsContact O-N 3.07Å; S223-D225 PolarHBondContact O-N 3.37Å; S223-D225 VanDerWaalsContact O-N 3.15Å
224L31Very low30.1Very low149 Ų149134.2 Ų134.278%0.7878%0.776SS**  trans-78.995.9170.2-101.171.9000109.3T222 T226T222-L224 PolarHBondContact O-N 2.84Å; L224-T226 PolarHBondContact O-N 3.19Å; L224-T226 PolarHBondContact O-OG1 3.34Å; L224-T226 VanDerWaalsContact O-OG1 3.05Å
225D28Very low29.9Very low156 Ų156136.4 Ų136.483%0.83478%0.779SS**  trans-68.674.6-179.7-160.9-1.6000111.8S223 R227S223-D225 PolarHBondContact O-N 3.37Å; S223-D225 VanDerWaalsContact O-N 3.15Å; D225-R227 VanDerWaalsContact C-N 3.33Å; D225-R227 PolarHBondContact O-N 3.33Å
226T32.2Very low30Very low115 Ų115138.1 Ų138.171%0.70678%0.783SS**  trans-88.774.3-171.9-49.60000109.6L224 S228L224-T226 PolarHBondContact O-N 3.19Å; L224-T226 PolarHBondContact O-OG1 3.34Å; L224-T226 VanDerWaalsContact O-OG1 3.05Å; T226-S228 PolarHBondContact O-N 2.95Å
227R26.4Very low29.7Very low217 Ų217137.4 Ų137.482%0.81978%0.783SS**  trans-49.494.4179.5-177.7-173.5177.2162.74113.1D225D225-R227 VanDerWaalsContact C-N 3.33Å; D225-R227 PolarHBondContact O-N 3.33Å
228S32Very low29.5Very low94 Ų94140.9 Ų140.966%0.65778%0.782SS**  trans-101.6127.4165.8-168.80000109.4T226 Y230T226-S228 PolarHBondContact O-N 2.95Å; S228-Y230 PolarHBondContact O-N 3.25Å
229N26.8Very low29.3Very low126 Ų126140.3 Ų140.367%0.67479%0.786SS**  trans-77109.9-176.2-64.6-40000110.4
230Y32.6Very low29.1Very low212 Ų212139.3 Ų139.383%0.83178%0.784SS**  trans-110.5133.5155.1-79.3-81.3000109.9S228S228-Y230 PolarHBondContact O-N 3.25Å
231I29.6Very low29Very low152 Ų152136.8 Ų136.878%0.77978%0.776SS**  trans-76.4130.2-168.9-67.9162.6000109.5S233I231-S233 PolarHBondContact O-N 2.94Å
232S24.9Very low29Very low125 Ų125139.8 Ų139.887%0.87478%0.778SS**  trans-67.2101.4166.9-550000110
233S29.7Very low29Very low112 Ų112139 Ų13978%0.78378%0.778SS**  trans-102.9118.7160.5-69.10000107.9I231I231-S233 PolarHBondContact O-N 2.94Å
234S30.3Very low29Very low99 Ų99139.4 Ų139.469%0.69278%0.781SS**  trans-82.8169.4-172.550.70000113.1
235N27.7Very low29.1Very low148 Ų148137.2 Ų137.279%0.79178%0.778SS**  trans7197.2165.5-49.4-20.1000116.4
236L31.1Very low29.2Very low173 Ų173138.2 Ų138.291%0.90678%0.778SS**  -151.6146.1120.2-104.8166.8000108.9
237S27.3Very low29.1Very low106 Ų106137 Ų13774%0.74178%0.779SS**  trans-91.5136.4-164.249.70000113.7
238F25.7Very low29.1Very low201 Ų201132 Ų13288%0.88277%0.773SS**  trans-66.5133.7167.1-63.1-90.8000111.6
239P30.2Very low29.1Very low129 Ų129138 Ų13884%0.83878%0.783SS**  trans-83.7104.3152.231.9-26.9000108.9
240S25.8Very low29.3Very low106 Ų106140.4 Ų140.474%0.74179%0.79SS**  trans-73.8139.5164.553.70000110.8
241T28.5Very low29.3Very low113 Ų113138.3 Ų138.369%0.69379%0.788SS**  trans-170.5133.2145.3-90.60000110
242E30.3Very low29.2Very low166 Ų166135.7 Ų135.778%0.77678%0.783SS**  trans33.4106.5160.5-66.9141.1-135.400119.5
243S28.3Very low29.9Very low113 Ų113136.4 Ų136.479%0.7977%0.772SS**  80.4103.755.678.50000116
244S31.9Very low31Very low115 Ų115140.3 Ų140.380%0.80478%0.775SS**  trans-158.8101.3161.8-167.40000112.7
245S32.2Very low32.8Very low104 Ų104136 Ų13673%0.72775%0.747SS**  trans20.899164.663.10000121.1
246E30.4Very low35.2Very low176 Ų176129.8 Ų129.882%0.82271%0.712SS**  53.5104.2112.1-165.9173.8-162.500120.3
247A29.9Very low37.7Very low90 Ų90123.4 Ų123.474%0.74468%0.681SS**  trans-143.4115.5139.600000108.6Y249A247-Y249 PolarHBondContact O-N 2.98Å
248T26.8Very low40.5Very low112 Ų112120.6 Ų120.669%0.68765%0.654SS**  trans-72.491.5-162-41.90000114.1E250T248-E250 HydrophobicContact CG2-CB 4.47Å
249Y31.4Very low43.3Very low219 Ų219115 Ų11586%0.85963%0.632SS**  trans-116.139.4162.8-89.3-88.9000111.1A247 E251A247-Y249 PolarHBondContact O-N 2.98Å; Y249-E251 PolarHBondContact O-N 3.03Å; Y249-E251 VanDerWaalsContact O-N 3.14Å
250E30.3Very low46Very low177 Ų177111.1 Ų111.183%0.82761%0.606SS**  trans-81.679177.4-75.8-67.6162.300112.1T248T248-E250 HydrophobicContact CG2-CB 4.47Å
251E32.5Very low48.8Very low168 Ų168110.1 Ų110.179%0.78559%0.592SS**SBendtrans-159.4131.7143.6-169.695.2-111.400108.8Y249 H253Y249-E251 PolarHBondContact O-N 3.03Å; Y249-E251 VanDerWaalsContact O-N 3.14Å; E251-H253 PolarHBondContact O-N 3.08Å; E251-H253 VanDerWaalsContact O-N 3.14Å
252S29.3Very low51.3Low98 Ų98110.4 Ų110.469%0.68558%0.584SS**  trans-82.195.8-169.8-1700000113.3K254S252-K254 PolarHBondContact O-N 3.33Å
253H39.2Very low53.8Low139 Ų139112.4 Ų112.464%0.64459%0.59SS**  trans-71.392.8162-68.3-27.1000110.5E251 G255E251-H253 PolarHBondContact O-N 3.08Å; E251-H253 VanDerWaalsContact O-N 3.14Å; H253-G255 PolarHBondContact O-N 2.81Å
254K52.3Low56.5Low194 Ų194109.9 Ų109.984%0.84358%0.577SS**  trans-68.972.1170.3-77.9-172173.1-178.70111.8S252S252-K254 PolarHBondContact O-N 3.33Å
255G68.2Low58.9Low9 Ų9110.7 Ų110.79%0.09357%0.568CS.*SBendtrans163-162176.300000113.8H253 S272H253-G255 PolarHBondContact O-N 2.81Å; G255-S272 WeakPolarHBondContact O-CA 3.45Å
256W78.7Confident61.4Low17 Ų17109 Ų1096%0.06455%0.55CS.*  trans-86.7159.3171.5-6544000109I270 T271 L277 V283 Y286 L287 F308 L319 V326W256-I270 CarbonylContact C-O 3.57Å; W256-I270 WeakPolarHBondContact CA-O 3.31Å; W256-I270 WeakPolarHBondContact CB-O 3.34Å; W256-T271 HydrophobicContact CD2-CG2 4.01Å; W256-T271 HydrophobicContact CE3-CG2 3.9Å; W256-T271 HydrophobicContact CH2-CG2 3.9Å; W256-T271 HydrophobicContact CZ2-CG2 3.98Å; W256-T271 HydrophobicContact CZ3-CG2 3.85Å; W256-L277 HydrophobicContact CE3-CD1 4.42Å; W256-L277 HydrophobicContact CH2-CD1 3.9Å; W256-L277 HydrophobicContact CZ3-CD1 3.54Å; W256-V283 HydrophobicContact CH2-CG1 4.23Å; W256-V283 HydrophobicContact CZ3-CG1 4.34Å; W256-Y286 AromaticContact CH2-CD1 3.76Å; W256-Y286 HydrophobicContact CH2-CD1 3.76Å; W256-Y286 AromaticContact CH2-CE1 3.99Å; W256-Y286 HydrophobicContact CH2-CE1 3.99Å; W256-Y286 AromaticContact CZ2-CD1 3.8Å; W256-Y286 HydrophobicContact CZ2-CD1 3.8Å; W256-Y286 AromaticContact CZ2-CE1 3.55Å; W256-Y286 HydrophobicContact CZ2-CE1 3.55Å; W256-L287 HydrophobicContact CH2-CD2 4.33Å; W256-L287 HydrophobicContact CZ2-CD2 4.12Å; W256-F308 AromaticContact CE3-CE1 3.56Å; W256-F308 HydrophobicContact CE3-CE1 3.56Å; W256-F308 AromaticContact CE3-CZ 3.92Å; W256-F308 HydrophobicContact CE3-CZ 3.92Å; W256-F308 HydrophobicContact CH2-CE1 4.16Å; W256-F308 AromaticContact CH2-CZ 3.92Å; W256-F308 HydrophobicContact CH2-CZ 3.92Å; W256-F308 HydrophobicContact CZ3-CD1 4.36Å; W256-F308 AromaticContact CZ3-CE1 3.3Å; W256-F308 HydrophobicContact CZ3-CE1 3.3Å; W256-F308 AromaticContact CZ3-CZ 3.51Å; W256-F308 HydrophobicContact CZ3-CZ 3.51Å; W256-L319 WeakPolarHBondContact O-CD2 3.49Å; W256-V326 HydrophobicContact CZ2-CG2 4.44Å
257T81.9Confident64.1Low40 Ų40100.7 Ų100.725%0.24551%0.512CS..EExtended strand (participates in β ladder)trans-132.1136.8177.7-63.60000110.1L259 Y269 I270T257-L259 HydrophobicContact CG2-CD2 4.21Å; T257-Y269 CarbonylContact O-C 3.6Å; T257-Y269 WeakPolarHBondContact O-CA 3.32Å; T257-I270 PolarHBondContact N-O 2.95Å; T257-I270 PolarHBondContact O-N 3.37Å
258R86.1Confident67Low47 Ų4797.4 Ų97.418%0.17748%0.482CS..EExtended strand (participates in β ladder)trans-107.8111.2179.7-174-173.4-173.4-116.40.1110.8V260 V267 Y269 I309 A311 T313 L319R258-V260 HydrophobicContact CG-CG2 4.3Å; R258-V267 HydrophobicContact CG-CG1 3.95Å; R258-Y269 HydrophobicContact CB-CD1 4.24Å; R258-Y269 HydrophobicContact CB-CE1 4.1Å; R258-Y269 HydrophobicContact CG-CD1 4.32Å; R258-Y269 HydrophobicContact CG-CE1 3.94Å; R258-Y269 HydrophobicContact CG-CE2 4.17Å; R258-Y269 PolarHBondContact NE-OH 3.13Å; R258-I309 PolarHBondContact NE-O 3.24Å; R258-I309 PolarHBondContact NH2-O 3.49Å; R258-A311 PolarHBondContact NH2-O 3.42Å; R258-T313 PolarHBondContact NH1-O 3.41Å; R258-L319 HydrophobicContact CB-CD1 4.16Å; R258-L319 HydrophobicContact CB-CD2 4.03Å; R258-L319 VanDerWaalsContact N-CD2 3.32Å
259L86Confident70Confident83 Ų8392.1 Ų92.144%0.43545%0.45SS..EExtended strand (participates in β ladder)trans-94.3132173.5-60.3-171.5000110.9T257 V267 V268 I270T257-L259 HydrophobicContact CG2-CD2 4.21Å; L259-V267 WeakPolarHBondContact O-CA 3.46Å; L259-V268 HydrophobicContact CB-CB 4.48Å; L259-V268 PolarHBondContact N-O 3.49Å; L259-V268 PolarHBondContact O-N 2.84Å; L259-I270 HydrophobicContact CD1-CD1 3.66Å; L259-I270 HydrophobicContact CD1-CG1 4.45Å; L259-I270 HydrophobicContact CG-CD1 4.06Å; L259-I270 HydrophobicContact CG-CG1 4.48Å
260V86.6Confident72.7Confident48 Ų4883.2 Ų83.229%0.29142%0.417SS..EExtended strand (participates in β ladder)trans-122.2101-179.2-177.40000110.6R258 K262 V267 P312R258-V260 HydrophobicContact CG-CG2 4.3Å; V260-K262 HydrophobicContact CG1-CG 4.02Å; V260-K262 PolarHBondContact O-N 3.39Å; V260-V267 HydrophobicContact CG1-CG2 4.22Å; V260-V267 HydrophobicContact CG2-CG1 4.44Å; V260-V267 HydrophobicContact CG2-CG2 4.23Å; V260-P312 HydrophobicContact CG1-CB 4.03Å
261N84.7Confident75.5Confident84 Ų8475.1 Ų75.145%0.44938%0.379SS..EExtended strand (participates in β ladder)trans-8787.6174.4-173.8-14.7000110.6K263 A264 Q265 N266N261-K263 PolarHBondContact O-N 2.89Å; N261-K263 VanDerWaalsContact O-N 3.17Å; N261-K263 PolarHBondContact OD1-N 3.49Å; N261-K263 VanDerWaalsContact OD1-N 3.14Å; N261-A264 HydrophobicContact CB-CB 4.26Å; N261-A264 WeakPolarHBondContact ND2-CB 3.47Å; N261-A264 CarbonylContact O-C 3.49Å; N261-A264 PolarHBondContact O-N 2.84Å; N261-A264 VanDerWaalsContact O-N 3.16Å; N261-A264 PolarHBondContact OD1-N 2.88Å; N261-A264 VanDerWaalsContact OD1-N 3.08Å; N261-Q265 PolarHBondContact O-N 3.47Å; N261-N266 PolarHBondContact N-O 2.72Å; N261-N266 PolarHBondContact O-N 2.86Å
262K80.7Confident77.8Confident120 Ų12071 Ų7152%0.52237%0.369SS..THydrogen-bonded Turntrans-58.5-25.8178.9-60.9-175.9-179.6-179.80114V260 Q265V260-K262 HydrophobicContact CG1-CG 4.02Å; V260-K262 PolarHBondContact O-N 3.39Å; K262-Q265 PolarHBondContact O-NE2 3.3Å
263K82.5Confident80.5Confident207 Ų20770.1 Ų70.190%0.936%0.357SS*.THydrogen-bonded Turntrans-76.4-39176.8-70.5-174.2177.5-178.30112.4N261N261-K263 PolarHBondContact O-N 2.89Å; N261-K263 VanDerWaalsContact O-N 3.17Å; N261-K263 PolarHBondContact OD1-N 3.49Å; N261-K263 VanDerWaalsContact OD1-N 3.14Å
264A85.1Confident82.6Confident61 Ų6165.7 Ų65.750%0.50435%0.349SS..THydrogen-bonded Turntrans-90.8-0178.600000113.8N261 N266N261-A264 HydrophobicContact CB-CB 4.26Å; N261-A264 WeakPolarHBondContact ND2-CB 3.47Å; N261-A264 CarbonylContact O-C 3.49Å; N261-A264 PolarHBondContact O-N 2.84Å; N261-A264 VanDerWaalsContact O-N 3.16Å; N261-A264 PolarHBondContact OD1-N 2.88Å; N261-A264 VanDerWaalsContact OD1-N 3.08Å; A264-N266 HydrophobicContact CB-CB 4.14Å; A264-N266 PolarHBondContact O-N 3.48Å
265Q81.8Confident84.3Confident132 Ų13258.9 Ų58.962%0.61732%0.324SS*.THydrogen-bonded Turntrans52.733.2-172.7-64.2-69.2-6700113.3N261 K262 P312N261-Q265 PolarHBondContact O-N 3.47Å; K262-Q265 PolarHBondContact O-NE2 3.3Å; Q265-P312 HydrophobicContact CB-CG 4.29Å; Q265-P312 VanDerWaalsContact OE1-CG 3.32Å
266N85.3Confident85.4Confident67 Ų6766 Ų6636%0.35835%0.347SS..EExtended strand (participates in β ladder)trans-116.9138-171.6-173.1-13.5000110.4N261 A264N261-N266 PolarHBondContact N-O 2.72Å; N261-N266 PolarHBondContact O-N 2.86Å; A264-N266 HydrophobicContact CB-CB 4.14Å; A264-N266 PolarHBondContact O-N 3.48Å
267V87.6Confident86.1Confident2 Ų265.6 Ų65.61%0.01235%0.347CS..EExtended strand (participates in β ladder)trans-120.4134.3173.1178.10000108.6R258 L259 V260 Y269 F310 P312R258-V267 HydrophobicContact CG-CG1 3.95Å; L259-V267 WeakPolarHBondContact O-CA 3.46Å; V260-V267 HydrophobicContact CG1-CG2 4.22Å; V260-V267 HydrophobicContact CG2-CG1 4.44Å; V260-V267 HydrophobicContact CG2-CG2 4.23Å; V267-Y269 HydrophobicContact CG1-CD2 4.21Å; V267-Y269 HydrophobicContact CG1-CE2 3.87Å; V267-F310 HydrophobicContact CB-CD1 4.44Å; V267-F310 WeakPolarHBondContact CB-O 3.45Å; V267-F310 VanDerWaalsContact CG2-O 3.24Å; V267-F310 WeakPolarHBondContact CG2-O 3.43Å; V267-P312 HydrophobicContact CG2-CB 4.12Å
268V90.3Very high86.5Confident21 Ų2167.6 Ų67.613%0.12735%0.353CS..EExtended strand (participates in β ladder)trans-127.5123.9179-167.50000108.4L259 R276 L277 H278L259-V268 HydrophobicContact CB-CB 4.48Å; L259-V268 PolarHBondContact N-O 3.49Å; L259-V268 PolarHBondContact O-N 2.84Å; V268-R276 HydrophobicContact CG1-CB 3.84Å; V268-R276 HydrophobicContact CG1-CG 4.29Å; V268-L277 WeakPolarHBondContact CA-O 3.48Å; V268-H278 VanDerWaalsContact CG2-CE1 3.46Å; V268-H278 WeakPolarHBondContact CG2-CE1 3.43Å
269Y89.3Confident86.6Confident1 Ų168 Ų680%0.00436%0.359CS..EExtended strand (participates in β ladder)trans-89.6130.6166.6-72.7-102.6000108.2T257 R258 V267 L277 F308 I309 F310 L319T257-Y269 CarbonylContact O-C 3.6Å; T257-Y269 WeakPolarHBondContact O-CA 3.32Å; R258-Y269 HydrophobicContact CB-CD1 4.24Å; R258-Y269 HydrophobicContact CB-CE1 4.1Å; R258-Y269 HydrophobicContact CG-CD1 4.32Å; R258-Y269 HydrophobicContact CG-CE1 3.94Å; R258-Y269 HydrophobicContact CG-CE2 4.17Å; R258-Y269 PolarHBondContact NE-OH 3.13Å; V267-Y269 HydrophobicContact CG1-CD2 4.21Å; V267-Y269 HydrophobicContact CG1-CE2 3.87Å; Y269-L277 PolarHBondContact N-O 3.23Å; Y269-L277 PolarHBondContact O-N 3.26Å; Y269-F308 AromaticContact CD1-CD1 3.69Å; Y269-F308 HydrophobicContact CD1-CD1 3.69Å; Y269-F308 AromaticContact CD1-CE1 3.76Å; Y269-F308 HydrophobicContact CD1-CE1 3.76Å; Y269-F308 HydrophobicContact CD2-CD1 4.19Å; Y269-F308 AromaticContact CE1-CD1 3.69Å; Y269-F308 HydrophobicContact CE1-CD1 3.69Å; Y269-F308 HydrophobicContact CE1-CE1 4.01Å; Y269-F308 HydrophobicContact CE2-CD1 4.21Å; Y269-F308 AromaticContact CG-CD1 3.95Å; Y269-F308 HydrophobicContact CG-CD1 3.95Å; Y269-F308 HydrophobicContact CG-CE1 4.23Å; Y269-F308 AromaticContact CZ-CD1 3.95Å; Y269-I309 PolarHBondContact OH-N 3.32Å; Y269-I309 PolarHBondContact OH-O 3.43Å; Y269-F310 HydrophobicContact CD2-CD1 4.18Å; Y269-F310 AromaticContact CD2-CE1 3.54Å; Y269-F310 HydrophobicContact CD2-CE1 3.54Å; Y269-F310 HydrophobicContact CD2-CE2 4.38Å; Y269-F310 AromaticContact CD2-CZ 3.65Å; Y269-F310 HydrophobicContact CD2-CZ 3.65Å; Y269-F310 HydrophobicContact CE2-CD1 4.31Å; Y269-F310 HydrophobicContact CE2-CE1 4.05Å; Y269-F310 HydrophobicContact CE2-CE2 4.41Å; Y269-F310 HydrophobicContact CE2-CZ 4.1Å; Y269-L319 HydrophobicContact CD1-CD1 4.12Å; Y269-L319 HydrophobicContact CE1-CD1 3.77Å
270I89.2Confident86.7Confident33 Ų3366.1 Ų66.117%0.16935%0.351CS..EExtended strand (participates in β ladder)trans-104.6127.4172.7-51.4-170.5000107.2W256 T257 L259 T275 R276W256-I270 CarbonylContact C-O 3.57Å; W256-I270 WeakPolarHBondContact CA-O 3.31Å; W256-I270 WeakPolarHBondContact CB-O 3.34Å; T257-I270 PolarHBondContact N-O 2.95Å; T257-I270 PolarHBondContact O-N 3.37Å; L259-I270 HydrophobicContact CD1-CD1 3.66Å; L259-I270 HydrophobicContact CD1-CG1 4.45Å; L259-I270 HydrophobicContact CG-CD1 4.06Å; L259-I270 HydrophobicContact CG-CG1 4.48Å; I270-T275 VanDerWaalsContact CA-O 3.3Å; I270-T275 WeakPolarHBondContact CA-O 3.39Å; I270-R276 HydrophobicContact CG1-CG 4.35Å
271T88Confident86.7Confident6 Ų669.6 Ų69.64%0.03737%0.368CS..  trans-81.1169.5178.756.50000111.6W256 D273 G274 T275 L277 Y286W256-T271 HydrophobicContact CD2-CG2 4.01Å; W256-T271 HydrophobicContact CE3-CG2 3.9Å; W256-T271 HydrophobicContact CH2-CG2 3.9Å; W256-T271 HydrophobicContact CZ2-CG2 3.98Å; W256-T271 HydrophobicContact CZ3-CG2 3.85Å; T271-D273 WeakPolarHBondContact CB-OD1 3.46Å; T271-D273 PolarHBondContact O-N 3.25Å; T271-D273 PolarHBondContact OG1-OD1 2.94Å; T271-G274 PolarHBondContact O-N 2.89Å; T271-T275 WeakPolarHBondContact CG2-OG1 3.3Å; T271-T275 PolarHBondContact N-O 3.13Å; T271-T275 WeakPolarHBondContact OG1-CA 3.24Å; T271-T275 WeakPolarHBondContact OG1-CB 3.49Å; T271-T275 PolarHBondContact OG1-N 2.8Å; T271-T275 PolarHBondContact OG1-O 3.24Å; T271-T275 PolarHBondContact OG1-OG1 3.21Å; T271-L277 HydrophobicContact CG2-CD1 3.48Å; T271-L277 VanDerWaalsContact CG2-CD1 3.48Å; T271-L277 HydrophobicContact CG2-CG 4.13Å; T271-Y286 HydrophobicContact CG2-CD1 3.99Å; T271-Y286 HydrophobicContact CG2-CD2 3.99Å; T271-Y286 HydrophobicContact CG2-CE1 3.72Å; T271-Y286 HydrophobicContact CG2-CE2 3.71Å; T271-Y286 HydrophobicContact CG2-CG 4.13Å
272S81.6Confident87Confident83 Ų8368.8 Ų68.858%0.5836%0.361SS*.THydrogen-bonded Turntrans-65.7-13.7178.553.40000114.9G255G255-S272 WeakPolarHBondContact O-CA 3.45Å
273D84.9Confident87.3Confident78 Ų7863 Ų6342%0.41734%0.336SS..THydrogen-bonded Turntrans-105.213.3170.166.1-17.8000112.9T271 T275 Y286 K290T271-D273 WeakPolarHBondContact CB-OD1 3.46Å; T271-D273 PolarHBondContact O-N 3.25Å; T271-D273 PolarHBondContact OG1-OD1 2.94Å; D273-T275 PolarHBondContact O-N 2.85Å; D273-Y286 WeakPolarHBondContact OD1-CE2 3.4Å; D273-Y286 PolarHBondContact OD1-OH 2.86Å; D273-Y286 VanDerWaalsContact OD1-OH 3.06Å; D273-K290 WeakPolarHBondContact OD2-CE 3.35Å; D273-K290 IonicContact OD2-NZ 3.68Å; D273-K290 PolarHBondContact OD2-NZ 3.46Å
274G84.4Confident87.4Confident46 Ų4656.4 Ų56.447%0.47431%0.306SS..  trans83.2-0.5170.700000116.4T271T271-G274 PolarHBondContact O-N 2.89Å
275T88.2Confident87.5Confident52 Ų5257.1 Ų57.132%0.31930%0.304SS..  trans-63.1147174.879.10000110.7I270 T271 D273 Y286I270-T275 VanDerWaalsContact CA-O 3.3Å; I270-T275 WeakPolarHBondContact CA-O 3.39Å; T271-T275 WeakPolarHBondContact CG2-OG1 3.3Å; T271-T275 PolarHBondContact N-O 3.13Å; T271-T275 WeakPolarHBondContact OG1-CA 3.24Å; T271-T275 WeakPolarHBondContact OG1-CB 3.49Å; T271-T275 PolarHBondContact OG1-N 2.8Å; T271-T275 PolarHBondContact OG1-O 3.24Å; T271-T275 PolarHBondContact OG1-OG1 3.21Å; D273-T275 PolarHBondContact O-N 2.85Å; T275-Y286 HydrophobicContact CG2-CD2 4.31Å; T275-Y286 HydrophobicContact CG2-CE2 4.03Å; T275-Y286 WeakPolarHBondContact OG1-CD2 3.45Å; T275-Y286 WeakPolarHBondContact OG1-CE2 3.22Å
276R91.3Very high87.8Confident157 Ų15752 Ų5259%0.59228%0.28SS*.EExtended strand (participates in β ladder)trans-111.6123.7-176.7-65.5-173.9177.1-164.7-2.2109.4V268 I270V268-R276 HydrophobicContact CG1-CB 3.84Å; V268-R276 HydrophobicContact CG1-CG 4.29Å; I270-R276 HydrophobicContact CG1-CG 4.35Å
277L92.4Very high87.7Confident10 Ų1049.1 Ų49.15%0.05226%0.264CS..EExtended strand (participates in β ladder)trans-117.3128.9-174.6-50.2173.9000108.3W256 V268 Y269 T271 E282 V283 Y286 F310W256-L277 HydrophobicContact CE3-CD1 4.42Å; W256-L277 HydrophobicContact CH2-CD1 3.9Å; W256-L277 HydrophobicContact CZ3-CD1 3.54Å; V268-L277 WeakPolarHBondContact CA-O 3.48Å; Y269-L277 PolarHBondContact N-O 3.23Å; Y269-L277 PolarHBondContact O-N 3.26Å; T271-L277 HydrophobicContact CG2-CD1 3.48Å; T271-L277 VanDerWaalsContact CG2-CD1 3.48Å; T271-L277 HydrophobicContact CG2-CG 4.13Å; L277-E282 WeakPolarHBondContact CA-OE2 3.38Å; L277-E282 HydrophobicContact CB-CB 4.34Å; L277-E282 HydrophobicContact CD2-CB 4.04Å; L277-V283 HydrophobicContact CB-CG2 4.12Å; L277-V283 HydrophobicContact CD1-CB 4.5Å; L277-V283 HydrophobicContact CD1-CG2 3.92Å; L277-Y286 HydrophobicContact CD1-CD1 4.48Å; L277-Y286 HydrophobicContact CD1-CG 4.19Å; L277-Y286 HydrophobicContact CD2-CG 4.45Å; L277-F310 WeakPolarHBondContact O-CE1 3.3Å
278H90.7Very high87.5Confident82 Ų8250.8 Ų50.838%0.3828%0.276SS..  trans-116.4-9.3-169.5-67.8-79.7000113.8V268 E282 F310V268-H278 VanDerWaalsContact CG2-CE1 3.46Å; V268-H278 WeakPolarHBondContact CG2-CE1 3.43Å; H278-E282 WeakPolarHBondContact CB-OE2 3.44Å; H278-E282 IonicContact CD2-OE2 3.71Å; H278-E282 IonicContact CG-OE2 3.97Å; H278-E282 PolarHBondContact N-OE2 2.95Å; H278-F310 VanDerWaalsContact C-CD1 3.43Å; H278-F310 VanDerWaalsContact O-CD1 3.25Å; H278-F310 WeakPolarHBondContact O-CD1 3.49Å
279N88.7Confident87Confident54 Ų5454.7 Ų54.729%0.28930%0.3SS..SBendtrans-155.4172.5177.154.867.8000111.2D281 E282 V283 F310N279-D281 VanDerWaalsContact C-N 3.32Å; N279-D281 PolarHBondContact O-N 3.31Å; N279-D281 PolarHBondContact OD1-N 2.95Å; N279-E282 VanDerWaalsContact ND2-CD 3.27Å; N279-E282 PolarHBondContact ND2-OE1 3.28Å; N279-E282 PolarHBondContact O-N 3.38Å; N279-E282 WeakPolarHBondContact OD1-CG 3.34Å; N279-E282 PolarHBondContact OD1-N 3.45Å; N279-V283 PolarHBondContact O-N 3.15Å; N279-F310 VanDerWaalsContact C-CZ 3.41Å; N279-F310 VanDerWaalsContact N-CE1 3.32Å; N279-F310 WeakPolarHBondContact O-CE2 3.48Å; N279-F310 VanDerWaalsContact O-CZ 3.3Å; N279-F310 WeakPolarHBondContact O-CZ 3.39Å
280V87.6Confident86.4Confident45 Ų4559.8 Ų59.827%0.27332%0.322SS..Hα-helixtrans-67.2-31.8-177.3-1790000112V283 Y284 I304 A305 F310V280-V283 WeakPolarHBondContact O-CB 3.44Å; V280-V283 PolarHBondContact O-N 2.57Å; V280-Y284 WeakPolarHBondContact O-CB 3.27Å; V280-Y284 PolarHBondContact O-N 3.03Å; V280-I304 HydrophobicContact CG1-CG2 4.1Å; V280-A305 HydrophobicContact CG1-CB 4.2Å; V280-F310 HydrophobicContact CG2-CD2 3.81Å; V280-F310 HydrophobicContact CG2-CE2 3.92Å
281D86.5Confident85.3Confident120 Ų12059.9 Ų59.964%0.64232%0.323SS*.Hα-helixtrans-72.3-32.7-179.8-56.5-61.9000112.2N279 Y284 T285N279-D281 VanDerWaalsContact C-N 3.32Å; N279-D281 PolarHBondContact O-N 3.31Å; N279-D281 PolarHBondContact OD1-N 2.95Å; D281-Y284 WeakPolarHBondContact O-CB 3.43Å; D281-Y284 PolarHBondContact O-N 3.23Å; D281-T285 WeakPolarHBondContact O-CB 3.4Å; D281-T285 PolarHBondContact O-N 2.91Å; D281-T285 PolarHBondContact O-OG1 3.37Å
282E90.7Very high83.8Confident67 Ų6765.3 Ų65.331%0.31336%0.361SS..Hα-helixtrans-67-40.4168.7-77.8168.2-147.600111.5L277 H278 N279 T285 Y286L277-E282 WeakPolarHBondContact CA-OE2 3.38Å; L277-E282 HydrophobicContact CB-CB 4.34Å; L277-E282 HydrophobicContact CD2-CB 4.04Å; H278-E282 WeakPolarHBondContact CB-OE2 3.44Å; H278-E282 IonicContact CD2-OE2 3.71Å; H278-E282 IonicContact CG-OE2 3.97Å; H278-E282 PolarHBondContact N-OE2 2.95Å; N279-E282 VanDerWaalsContact ND2-CD 3.27Å; N279-E282 PolarHBondContact ND2-OE1 3.28Å; N279-E282 PolarHBondContact O-N 3.38Å; N279-E282 WeakPolarHBondContact OD1-CG 3.34Å; N279-E282 PolarHBondContact OD1-N 3.45Å; E282-T285 PolarHBondContact O-N 3.03Å; E282-Y286 WeakPolarHBondContact O-CB 3.35Å; E282-Y286 PolarHBondContact O-N 3.38Å
283V88Confident82.5Confident0 Ų069 Ų690%037%0.369CS..Hα-helixtrans-62.8-43.9172.9178.50000111.1W256 L277 N279 V280 T285 Y286 L287 I304 F308 F310W256-V283 HydrophobicContact CH2-CG1 4.23Å; W256-V283 HydrophobicContact CZ3-CG1 4.34Å; L277-V283 HydrophobicContact CB-CG2 4.12Å; L277-V283 HydrophobicContact CD1-CB 4.5Å; L277-V283 HydrophobicContact CD1-CG2 3.92Å; N279-V283 PolarHBondContact O-N 3.15Å; V280-V283 WeakPolarHBondContact O-CB 3.44Å; V280-V283 PolarHBondContact O-N 2.57Å; V283-T285 PolarHBondContact O-N 3.45Å; V283-Y286 PolarHBondContact O-N 3.41Å; V283-L287 HydrophobicContact CG1-CD1 3.87Å; V283-L287 HydrophobicContact CG1-CG 4.37Å; V283-L287 WeakPolarHBondContact O-CB 3.4Å; V283-L287 VanDerWaalsContact O-CG 3.3Å; V283-L287 WeakPolarHBondContact O-CG 3.41Å; V283-L287 PolarHBondContact O-N 2.65Å; V283-I304 HydrophobicContact CB-CG2 4.24Å; V283-I304 HydrophobicContact CG1-CG2 3.66Å; V283-F308 HydrophobicContact CG1-CD1 4.12Å; V283-F308 HydrophobicContact CG1-CD2 3.79Å; V283-F308 HydrophobicContact CG1-CE1 4.11Å; V283-F308 HydrophobicContact CG1-CE2 3.76Å; V283-F308 HydrophobicContact CG1-CG 3.95Å; V283-F308 HydrophobicContact CG1-CZ 3.92Å; V283-F308 HydrophobicContact CG2-CB 4.42Å; V283-F308 HydrophobicContact CG2-CD1 3.87Å; V283-F308 HydrophobicContact CG2-CE1 4.33Å; V283-F308 HydrophobicContact CG2-CG 4.1Å; V283-F310 HydrophobicContact CG2-CE2 4.03Å; V283-F310 HydrophobicContact CG2-CZ 3.73Å
284Y84.6Confident81Confident68 Ų6866.5 Ų66.527%0.26736%0.358SS..Hα-helixtrans-57.9-46.6173.3173.1-87.1000111.7V280 D281 L287 S288 I296 K301V280-Y284 WeakPolarHBondContact O-CB 3.27Å; V280-Y284 PolarHBondContact O-N 3.03Å; D281-Y284 WeakPolarHBondContact O-CB 3.43Å; D281-Y284 PolarHBondContact O-N 3.23Å; Y284-L287 PolarHBondContact O-N 3.06Å; Y284-S288 WeakPolarHBondContact CE1-OG 3.44Å; Y284-S288 WeakPolarHBondContact O-CB 3.32Å; Y284-S288 PolarHBondContact O-N 2.52Å; Y284-S288 PolarHBondContact O-OG 3.29Å; Y284-I296 HydrophobicContact CD2-CB 4.11Å; Y284-I296 HydrophobicContact CD2-CD1 4.19Å; Y284-I296 HydrophobicContact CD2-CG2 3.68Å; Y284-I296 HydrophobicContact CE2-CB 3.44Å; Y284-I296 VanDerWaalsContact CE2-CB 3.44Å; Y284-I296 HydrophobicContact CE2-CD1 4.18Å; Y284-I296 HydrophobicContact CE2-CG1 4.31Å; Y284-I296 HydrophobicContact CE2-CG2 3.43Å; Y284-I296 VanDerWaalsContact CE2-CG2 3.43Å; Y284-K301 HydrophobicContact CD2-CD 4.37Å; Y284-K301 HydrophobicContact CD2-CG 3.91Å; Y284-K301 HydrophobicContact CE2-CD 4.1Å; Y284-K301 HydrophobicContact CE2-CG 3.92Å
285T85.6Confident79.8Confident76 Ų7673 Ų7347%0.46638%0.375SS..Hα-helixtrans-68.2-40.9-178.3-570000111.5D281 E282 V283 S288 T289D281-T285 WeakPolarHBondContact O-CB 3.4Å; D281-T285 PolarHBondContact O-N 2.91Å; D281-T285 PolarHBondContact O-OG1 3.37Å; E282-T285 PolarHBondContact O-N 3.03Å; V283-T285 PolarHBondContact O-N 3.45Å; T285-S288 PolarHBondContact O-N 2.89Å; T285-T289 WeakPolarHBondContact O-CB 3.42Å; T285-T289 WeakPolarHBondContact O-CG2 3.4Å; T285-T289 PolarHBondContact O-N 2.97Å; T285-T289 PolarHBondContact O-OG1 3.26Å
286Y88.2Confident78.7Confident25 Ų2571 Ų7110%0.09836%0.363CS..Hα-helixtrans-61.9-48172.6178-87.8000111.3W256 T271 D273 T275 L277 E282 V283 S288 T289 K290W256-Y286 AromaticContact CH2-CD1 3.76Å; W256-Y286 HydrophobicContact CH2-CD1 3.76Å; W256-Y286 AromaticContact CH2-CE1 3.99Å; W256-Y286 HydrophobicContact CH2-CE1 3.99Å; W256-Y286 AromaticContact CZ2-CD1 3.8Å; W256-Y286 HydrophobicContact CZ2-CD1 3.8Å; W256-Y286 AromaticContact CZ2-CE1 3.55Å; W256-Y286 HydrophobicContact CZ2-CE1 3.55Å; T271-Y286 HydrophobicContact CG2-CD1 3.99Å; T271-Y286 HydrophobicContact CG2-CD2 3.99Å; T271-Y286 HydrophobicContact CG2-CE1 3.72Å; T271-Y286 HydrophobicContact CG2-CE2 3.71Å; T271-Y286 HydrophobicContact CG2-CG 4.13Å; D273-Y286 WeakPolarHBondContact OD1-CE2 3.4Å; D273-Y286 PolarHBondContact OD1-OH 2.86Å; D273-Y286 VanDerWaalsContact OD1-OH 3.06Å; T275-Y286 HydrophobicContact CG2-CD2 4.31Å; T275-Y286 HydrophobicContact CG2-CE2 4.03Å; T275-Y286 WeakPolarHBondContact OG1-CD2 3.45Å; T275-Y286 WeakPolarHBondContact OG1-CE2 3.22Å; L277-Y286 HydrophobicContact CD1-CD1 4.48Å; L277-Y286 HydrophobicContact CD1-CG 4.19Å; L277-Y286 HydrophobicContact CD2-CG 4.45Å; E282-Y286 WeakPolarHBondContact O-CB 3.35Å; E282-Y286 PolarHBondContact O-N 3.38Å; V283-Y286 PolarHBondContact O-N 3.41Å; Y286-S288 VanDerWaalsContact C-N 3.33Å; Y286-S288 PolarHBondContact O-N 3.17Å; Y286-T289 PolarHBondContact O-N 2.94Å; Y286-T289 PolarHBondContact O-OG1 3.26Å; Y286-T289 VanDerWaalsContact O-OG1 3.08Å; Y286-K290 HydrophobicContact CD1-CG 4.27Å; Y286-K290 HydrophobicContact CE1-CG 3.82Å; Y286-K290 HydrophobicContact CE2-CD 4.42Å; Y286-K290 HydrophobicContact CE2-CG 4.11Å; Y286-K290 VanDerWaalsContact CZ-CE 3.49Å; Y286-K290 WeakPolarHBondContact O-CG 3.5Å; Y286-K290 PolarHBondContact O-N 3.45Å; Y286-K290 WeakPolarHBondContact OH-CE 3.34Å
287L84.3Confident77.6Confident6 Ų667.1 Ų67.13%0.03135%0.354CS..Hα-helixtrans-66-34.3178.4-69.9173.7000112.4W256 V283 Y284 N291 I296 I304W256-L287 HydrophobicContact CH2-CD2 4.33Å; W256-L287 HydrophobicContact CZ2-CD2 4.12Å; V283-L287 HydrophobicContact CG1-CD1 3.87Å; V283-L287 HydrophobicContact CG1-CG 4.37Å; V283-L287 WeakPolarHBondContact O-CB 3.4Å; V283-L287 VanDerWaalsContact O-CG 3.3Å; V283-L287 WeakPolarHBondContact O-CG 3.41Å; V283-L287 PolarHBondContact O-N 2.65Å; Y284-L287 PolarHBondContact O-N 3.06Å; L287-N291 VanDerWaalsContact O-CB 3.31Å; L287-N291 WeakPolarHBondContact O-CB 3.5Å; L287-N291 PolarHBondContact O-N 2.85Å; L287-N291 PolarHBondContact O-ND2 3.04Å; L287-I296 HydrophobicContact CB-CD1 3.99Å; L287-I304 HydrophobicContact CD1-CD1 3.71Å; L287-I304 HydrophobicContact CD1-CG1 4.03Å
288S82Confident76.7Confident37 Ų3770.8 Ų70.826%0.25938%0.38SS..Hα-helixtrans-67.1-43174.8-56.60000111.9Y284 T285 Y286 N291 I296Y284-S288 WeakPolarHBondContact CE1-OG 3.44Å; Y284-S288 WeakPolarHBondContact O-CB 3.32Å; Y284-S288 PolarHBondContact O-N 2.52Å; Y284-S288 PolarHBondContact O-OG 3.29Å; T285-S288 PolarHBondContact O-N 2.89Å; Y286-S288 VanDerWaalsContact C-N 3.33Å; Y286-S288 PolarHBondContact O-N 3.17Å; S288-N291 CarbonylContact O-C 3.49Å; S288-N291 PolarHBondContact O-N 3.22Å; S288-I296 WeakPolarHBondContact OG-CD1 3.47Å
289T81.6Confident75.7Confident103 Ų10369.8 Ų69.863%0.63238%0.383SS*.Hα-helixtrans-75.5-21.3-178.849.40000113.6T285 Y286T285-T289 WeakPolarHBondContact O-CB 3.42Å; T285-T289 WeakPolarHBondContact O-CG2 3.4Å; T285-T289 PolarHBondContact O-N 2.97Å; T285-T289 PolarHBondContact O-OG1 3.26Å; Y286-T289 PolarHBondContact O-N 2.94Å; Y286-T289 PolarHBondContact O-OG1 3.26Å; Y286-T289 VanDerWaalsContact O-OG1 3.08Å
290K76.4Confident74.9Confident107 Ų10767.7 Ų67.747%0.46537%0.371SS..Hα-helixtrans-88.9-24.7171.6-62.6-59.8-174.8179.40113.9D273 Y286D273-K290 WeakPolarHBondContact OD2-CE 3.35Å; D273-K290 IonicContact OD2-NZ 3.68Å; D273-K290 PolarHBondContact OD2-NZ 3.46Å; Y286-K290 HydrophobicContact CD1-CG 4.27Å; Y286-K290 HydrophobicContact CE1-CG 3.82Å; Y286-K290 HydrophobicContact CE2-CD 4.42Å; Y286-K290 HydrophobicContact CE2-CG 4.11Å; Y286-K290 VanDerWaalsContact CZ-CE 3.49Å; Y286-K290 WeakPolarHBondContact O-CG 3.5Å; Y286-K290 PolarHBondContact O-N 3.45Å; Y286-K290 WeakPolarHBondContact OH-CE 3.34Å
291N66.1Low74.3Confident36 Ų3670.3 Ų70.319%0.19338%0.379CS..  trans-121.275-176.8-53.9-65.4000110.6L287 S288 E293 C294 H330L287-N291 VanDerWaalsContact O-CB 3.31Å; L287-N291 WeakPolarHBondContact O-CB 3.5Å; L287-N291 PolarHBondContact O-N 2.85Å; L287-N291 PolarHBondContact O-ND2 3.04Å; S288-N291 CarbonylContact O-C 3.49Å; S288-N291 PolarHBondContact O-N 3.22Å; N291-E293 PolarHBondContact O-N 3.24Å; N291-C294 HydrophobicContact CB-CB 3.89Å; N291-C294 PolarHBondContact O-N 3.12Å; N291-C294 VanDerWaalsContact O-N 3.08Å; N291-H330 PolarHBondContact OD1-CD2 3.41Å; N291-H330 VanDerWaalsContact OD1-CD2 3.32Å; N291-H330 PolarHBondContact OD1-NE2 2.68Å
292S57Low73.9Confident120 Ų12071.4 Ų71.484%0.83938%0.38SS*.THydrogen-bonded Turntrans-59.5-14-178.949.10000115.3
293E53.7Low73.1Confident159 Ų15971.9 Ų71.974%0.74339%0.385SS*.THydrogen-bonded Turntrans-100.5-3.6-178.6-60.3176.9160.400113.1N291N291-E293 PolarHBondContact O-N 3.24Å
294C52.4Low72.7Confident27 Ų2772 Ų7218%0.18239%0.385CS..  trans-108.897.4-174.7-173.70000110.6N291 I296N291-C294 HydrophobicContact CB-CB 3.89Å; N291-C294 PolarHBondContact O-N 3.12Å; N291-C294 VanDerWaalsContact O-N 3.08Å; C294-I296 WeakPolarHBondContact O-CG1 3.3Å; C294-I296 PolarHBondContact O-N 3.02Å
295E60.5Low72.6Confident181 Ų18171.1 Ų71.185%0.84639%0.392SS*.  trans-68103.9167.9-173.3171.2-14600109N297E295-N297 VanDerWaalsContact C-N 3.3Å; E295-N297 PolarHBondContact O-N 3.36Å
296I65.1Low72.2Confident12 Ų1270.7 Ų70.76%0.06240%0.396CS..  trans-74.485.6-173.1-53.5-171.9000110.4Y284 L287 S288 C294 I300 K301 I304Y284-I296 HydrophobicContact CD2-CB 4.11Å; Y284-I296 HydrophobicContact CD2-CD1 4.19Å; Y284-I296 HydrophobicContact CD2-CG2 3.68Å; Y284-I296 HydrophobicContact CE2-CB 3.44Å; Y284-I296 VanDerWaalsContact CE2-CB 3.44Å; Y284-I296 HydrophobicContact CE2-CD1 4.18Å; Y284-I296 HydrophobicContact CE2-CG1 4.31Å; Y284-I296 HydrophobicContact CE2-CG2 3.43Å; Y284-I296 VanDerWaalsContact CE2-CG2 3.43Å; L287-I296 HydrophobicContact CB-CD1 3.99Å; S288-I296 WeakPolarHBondContact OG-CD1 3.47Å; C294-I296 WeakPolarHBondContact O-CG1 3.3Å; C294-I296 PolarHBondContact O-N 3.02Å; I296-I300 HydrophobicContact CG2-CB 3.87Å; I296-I300 HydrophobicContact CG2-CG2 3.64Å; I296-K301 HydrophobicContact CG2-CG 4.18Å; I296-I304 HydrophobicContact CG2-CD1 4.15Å
297N66.9Low71.6Confident74 Ų7471.8 Ų71.840%0.39640%0.402SS..  trans-60.6172.6176.366.329.4000113.3E295 S299 I300 K301E295-N297 VanDerWaalsContact C-N 3.3Å; E295-N297 PolarHBondContact O-N 3.36Å; N297-S299 PolarHBondContact O-N 3.36Å; N297-S299 PolarHBondContact OD1-N 2.96Å; N297-S299 PolarHBondContact OD1-OG 3.41Å; N297-I300 PolarHBondContact O-N 3.06Å; N297-I300 WeakPolarHBondContact OD1-CB 3.45Å; N297-I300 VanDerWaalsContact OD1-CG1 3.23Å; N297-I300 WeakPolarHBondContact OD1-CG1 3.44Å; N297-I300 PolarHBondContact OD1-N 3.46Å; N297-K301 PolarHBondContact O-N 3.05Å
298S73.7Confident71.5Confident88 Ų8871.6 Ų71.662%0.61540%0.401SS*.Hα-helixtrans-61.6-37.7-176.846.30000113.8K301 E302S298-K301 WeakPolarHBondContact O-CB 3.31Å; S298-K301 PolarHBondContact O-N 3.42Å; S298-E302 PolarHBondContact O-N 3.35Å
299S70.2Confident71.6Confident61 Ų6172.5 Ų72.543%0.42740%0.402SS..Hα-helixtrans-70-35.4179.252.50000112.3N297 E302 L303N297-S299 PolarHBondContact O-N 3.36Å; N297-S299 PolarHBondContact OD1-N 2.96Å; N297-S299 PolarHBondContact OD1-OG 3.41Å; S299-E302 PolarHBondContact O-N 2.76Å; S299-L303 WeakPolarHBondContact O-CB 3.37Å; S299-L303 WeakPolarHBondContact O-CD1 3.44Å; S299-L303 VanDerWaalsContact O-CG 3.28Å; S299-L303 WeakPolarHBondContact O-CG 3.13Å; S299-L303 PolarHBondContact O-N 2.94Å
300I71.1Confident71.8Confident9 Ų969.4 Ų69.45%0.04638%0.38CS..Hα-helixtrans-67.8-36.7171.1-60.7163.2000110.6I296 N297 L303 I304 L329 V333I296-I300 HydrophobicContact CG2-CB 3.87Å; I296-I300 HydrophobicContact CG2-CG2 3.64Å; N297-I300 PolarHBondContact O-N 3.06Å; N297-I300 WeakPolarHBondContact OD1-CB 3.45Å; N297-I300 VanDerWaalsContact OD1-CG1 3.23Å; N297-I300 WeakPolarHBondContact OD1-CG1 3.44Å; N297-I300 PolarHBondContact OD1-N 3.46Å; I300-L303 PolarHBondContact O-N 2.76Å; I300-I304 HydrophobicContact CG2-CD1 3.8Å; I300-I304 HydrophobicContact CG2-CG1 4.2Å; I300-I304 WeakPolarHBondContact O-CB 3.16Å; I300-I304 VanDerWaalsContact O-CG1 3.24Å; I300-I304 WeakPolarHBondContact O-CG1 3.2Å; I300-I304 PolarHBondContact O-N 3.3Å; I300-L329 HydrophobicContact CG1-CD2 4.18Å; I300-L329 HydrophobicContact CG2-CD1 4.37Å; I300-L329 HydrophobicContact CG2-CD2 3.81Å; I300-V333 HydrophobicContact CD1-CG2 3.84Å
301K76Confident72Confident100 Ų10066.5 Ų66.544%0.43538%0.376SS..Hα-helixtrans-59.7-45.7172.3-72.3179.5177.6178.90112.4Y284 I296 N297 S298 I304 A305Y284-K301 HydrophobicContact CD2-CD 4.37Å; Y284-K301 HydrophobicContact CD2-CG 3.91Å; Y284-K301 HydrophobicContact CE2-CD 4.1Å; Y284-K301 HydrophobicContact CE2-CG 3.92Å; I296-K301 HydrophobicContact CG2-CG 4.18Å; N297-K301 PolarHBondContact O-N 3.05Å; S298-K301 WeakPolarHBondContact O-CB 3.31Å; S298-K301 PolarHBondContact O-N 3.42Å; K301-I304 PolarHBondContact O-N 2.8Å; K301-A305 WeakPolarHBondContact O-CB 3.49Å; K301-A305 PolarHBondContact O-N 2.95Å
302E77Confident72.3Confident143 Ų14366.5 Ų66.567%0.66838%0.378SS*.Hα-helixtrans-63-42.2175.9-72.4176.6-174.400111.9S298 S299 A305 A306S298-E302 PolarHBondContact O-N 3.35Å; S299-E302 PolarHBondContact O-N 2.76Å; E302-A305 PolarHBondContact O-N 2.93Å; E302-A306 WeakPolarHBondContact O-CB 3.33Å; E302-A306 PolarHBondContact O-N 3.34Å
303L74.5Confident72.8Confident78 Ų7863.4 Ų63.441%0.40835%0.354SS..Hα-helixtrans-62.7-43.7174.7-74.8164.2000112.3S299 I300 A306 H307 F325S299-L303 WeakPolarHBondContact O-CB 3.37Å; S299-L303 WeakPolarHBondContact O-CD1 3.44Å; S299-L303 VanDerWaalsContact O-CG 3.28Å; S299-L303 WeakPolarHBondContact O-CG 3.13Å; S299-L303 PolarHBondContact O-N 2.94Å; I300-L303 PolarHBondContact O-N 2.76Å; L303-A306 PolarHBondContact O-N 3.03Å; L303-H307 PolarHBondContact O-N 2.83Å; L303-H307 PolarHBondContact O-ND1 3.43Å; L303-F325 HydrophobicContact CB-CE2 3.84Å; L303-F325 HydrophobicContact CB-CZ 3.72Å
304I80.5Confident73Confident1 Ų161.8 Ų61.81%0.00535%0.35CS..Hα-helixtrans-61.5-47.8174.8-68.2164000109.8V280 V283 L287 I296 I300 K301 A306 H307 F308 F325V280-I304 HydrophobicContact CG1-CG2 4.1Å; V283-I304 HydrophobicContact CB-CG2 4.24Å; V283-I304 HydrophobicContact CG1-CG2 3.66Å; L287-I304 HydrophobicContact CD1-CD1 3.71Å; L287-I304 HydrophobicContact CD1-CG1 4.03Å; I296-I304 HydrophobicContact CG2-CD1 4.15Å; I300-I304 HydrophobicContact CG2-CD1 3.8Å; I300-I304 HydrophobicContact CG2-CG1 4.2Å; I300-I304 WeakPolarHBondContact O-CB 3.16Å; I300-I304 VanDerWaalsContact O-CG1 3.24Å; I300-I304 WeakPolarHBondContact O-CG1 3.2Å; I300-I304 PolarHBondContact O-N 3.3Å; K301-I304 PolarHBondContact O-N 2.8Å; I304-A306 VanDerWaalsContact C-N 3.25Å; I304-A306 PolarHBondContact O-N 3.37Å; I304-H307 PolarHBondContact O-N 2.89Å; I304-H307 VanDerWaalsContact O-N 3.17Å; I304-F308 HydrophobicContact CG2-CD2 3.77Å; I304-F308 HydrophobicContact CG2-CE2 4.38Å; I304-F308 HydrophobicContact CG2-CG 4.49Å; I304-F308 WeakPolarHBondContact O-CB 3.41Å; I304-F308 WeakPolarHBondContact O-CD2 3.41Å; I304-F308 PolarHBondContact O-N 2.89Å; I304-F325 HydrophobicContact CG1-CE1 4.1Å; I304-F325 HydrophobicContact CG1-CZ 4.28Å
305A81.4Confident73.2Confident51 Ų5167 Ų6742%0.42138%0.376SS..Hα-helixtrans-60.7-32.7179.100000113.1V280 K301 E302V280-A305 HydrophobicContact CG1-CB 4.2Å; K301-A305 WeakPolarHBondContact O-CB 3.49Å; K301-A305 PolarHBondContact O-N 2.95Å; E302-A305 PolarHBondContact O-N 2.93Å
306A77Confident72.9Confident66 Ų6659.8 Ų59.855%0.54535%0.349SS..Hα-helixtrans-72.1-34.2175.900000113.7E302 L303 I304E302-A306 WeakPolarHBondContact O-CB 3.33Å; E302-A306 PolarHBondContact O-N 3.34Å; L303-A306 PolarHBondContact O-N 3.03Å; I304-A306 VanDerWaalsContact C-N 3.25Å; I304-A306 PolarHBondContact O-N 3.37Å
307H75.7Confident72.4Confident48 Ų4861.3 Ų61.322%0.22236%0.36CS..Hα-helixtrans-88.2-35.3-179.2-67.880.6000113L303 I304 I309 P317 F325L303-H307 PolarHBondContact O-N 2.83Å; L303-H307 PolarHBondContact O-ND1 3.43Å; I304-H307 PolarHBondContact O-N 2.89Å; I304-H307 VanDerWaalsContact O-N 3.17Å; H307-I309 PolarHBondContact O-N 3.04Å; H307-P317 WeakPolarHBondContact O-CG 3.47Å; H307-F325 AromaticContact CE1-CD2 3.69Å; H307-F325 AromaticContact CE1-CE2 3.89Å; H307-F325 AromaticContact NE2-CD2 3.89Å
308F83.4Confident71.7Confident2 Ų260 Ų601%0.00936%0.357CS..  trans-93.276-174.9-73.9-86000112.5W256 Y269 V283 I304 F310 T322W256-F308 AromaticContact CE3-CE1 3.56Å; W256-F308 HydrophobicContact CE3-CE1 3.56Å; W256-F308 AromaticContact CE3-CZ 3.92Å; W256-F308 HydrophobicContact CE3-CZ 3.92Å; W256-F308 HydrophobicContact CH2-CE1 4.16Å; W256-F308 AromaticContact CH2-CZ 3.92Å; W256-F308 HydrophobicContact CH2-CZ 3.92Å; W256-F308 HydrophobicContact CZ3-CD1 4.36Å; W256-F308 AromaticContact CZ3-CE1 3.3Å; W256-F308 HydrophobicContact CZ3-CE1 3.3Å; W256-F308 AromaticContact CZ3-CZ 3.51Å; W256-F308 HydrophobicContact CZ3-CZ 3.51Å; Y269-F308 AromaticContact CD1-CD1 3.69Å; Y269-F308 HydrophobicContact CD1-CD1 3.69Å; Y269-F308 AromaticContact CD1-CE1 3.76Å; Y269-F308 HydrophobicContact CD1-CE1 3.76Å; Y269-F308 HydrophobicContact CD2-CD1 4.19Å; Y269-F308 AromaticContact CE1-CD1 3.69Å; Y269-F308 HydrophobicContact CE1-CD1 3.69Å; Y269-F308 HydrophobicContact CE1-CE1 4.01Å; Y269-F308 HydrophobicContact CE2-CD1 4.21Å; Y269-F308 AromaticContact CG-CD1 3.95Å; Y269-F308 HydrophobicContact CG-CD1 3.95Å; Y269-F308 HydrophobicContact CG-CE1 4.23Å; Y269-F308 AromaticContact CZ-CD1 3.95Å; V283-F308 HydrophobicContact CG1-CD1 4.12Å; V283-F308 HydrophobicContact CG1-CD2 3.79Å; V283-F308 HydrophobicContact CG1-CE1 4.11Å; V283-F308 HydrophobicContact CG1-CE2 3.76Å; V283-F308 HydrophobicContact CG1-CG 3.95Å; V283-F308 HydrophobicContact CG1-CZ 3.92Å; V283-F308 HydrophobicContact CG2-CB 4.42Å; V283-F308 HydrophobicContact CG2-CD1 3.87Å; V283-F308 HydrophobicContact CG2-CE1 4.33Å; V283-F308 HydrophobicContact CG2-CG 4.1Å; I304-F308 HydrophobicContact CG2-CD2 3.77Å; I304-F308 HydrophobicContact CG2-CE2 4.38Å; I304-F308 HydrophobicContact CG2-CG 4.49Å; I304-F308 WeakPolarHBondContact O-CB 3.41Å; I304-F308 WeakPolarHBondContact O-CD2 3.41Å; I304-F308 PolarHBondContact O-N 2.89Å; F308-F310 HydrophobicContact CB-CE2 3.9Å; F308-F310 WeakPolarHBondContact O-CD2 3.33Å; F308-F310 PolarHBondContact O-N 2.99Å; F308-T322 HydrophobicContact CE1-CG2 3.78Å; F308-T322 HydrophobicContact CE2-CG2 3.97Å; F308-T322 HydrophobicContact CZ-CG2 3.36Å
309I84Confident70.8Confident56 Ų5657.2 Ų57.229%0.28734%0.335SS..  trans-77.7104.5179.7-56.2-171.9000111.2R258 Y269 H307 A311R258-I309 PolarHBondContact NE-O 3.24Å; R258-I309 PolarHBondContact NH2-O 3.49Å; Y269-I309 PolarHBondContact OH-N 3.32Å; Y269-I309 PolarHBondContact OH-O 3.43Å; H307-I309 PolarHBondContact O-N 3.04Å; I309-A311 VanDerWaalsContact C-N 3.34Å; I309-A311 HydrophobicContact CG2-CB 3.91Å
310F85.8Confident69.8Low38 Ų3860.2 Ų60.217%0.16734%0.342CS..  trans-82.6-3.9173.8-72.2-83.2000114.8V267 Y269 L277 H278 N279 V280 V283 F308V267-F310 HydrophobicContact CB-CD1 4.44Å; V267-F310 WeakPolarHBondContact CB-O 3.45Å; V267-F310 VanDerWaalsContact CG2-O 3.24Å; V267-F310 WeakPolarHBondContact CG2-O 3.43Å; Y269-F310 HydrophobicContact CD2-CD1 4.18Å; Y269-F310 AromaticContact CD2-CE1 3.54Å; Y269-F310 HydrophobicContact CD2-CE1 3.54Å; Y269-F310 HydrophobicContact CD2-CE2 4.38Å; Y269-F310 AromaticContact CD2-CZ 3.65Å; Y269-F310 HydrophobicContact CD2-CZ 3.65Å; Y269-F310 HydrophobicContact CE2-CD1 4.31Å; Y269-F310 HydrophobicContact CE2-CE1 4.05Å; Y269-F310 HydrophobicContact CE2-CE2 4.41Å; Y269-F310 HydrophobicContact CE2-CZ 4.1Å; L277-F310 WeakPolarHBondContact O-CE1 3.3Å; H278-F310 VanDerWaalsContact C-CD1 3.43Å; H278-F310 VanDerWaalsContact O-CD1 3.25Å; H278-F310 WeakPolarHBondContact O-CD1 3.49Å; N279-F310 VanDerWaalsContact C-CZ 3.41Å; N279-F310 VanDerWaalsContact N-CE1 3.32Å; N279-F310 WeakPolarHBondContact O-CE2 3.48Å; N279-F310 VanDerWaalsContact O-CZ 3.3Å; N279-F310 WeakPolarHBondContact O-CZ 3.39Å; V280-F310 HydrophobicContact CG2-CD2 3.81Å; V280-F310 HydrophobicContact CG2-CE2 3.92Å; V283-F310 HydrophobicContact CG2-CE2 4.03Å; V283-F310 HydrophobicContact CG2-CZ 3.73Å; F308-F310 HydrophobicContact CB-CE2 3.9Å; F308-F310 WeakPolarHBondContact O-CD2 3.33Å; F308-F310 PolarHBondContact O-N 2.99Å
311A80.5Confident68.7Low47 Ų4763.4 Ų63.439%0.38836%0.359SS..SBendtrans-69.5138.6170.700000110.7R258 I309 T313R258-A311 PolarHBondContact NH2-O 3.42Å; I309-A311 VanDerWaalsContact C-N 3.34Å; I309-A311 HydrophobicContact CG2-CB 3.91Å; A311-T313 HydrophobicContact CB-CG2 4.18Å; A311-T313 PolarHBondContact O-N 2.91Å
312P73Confident67.6Low35 Ų3558.7 Ų58.723%0.22734%0.339CS..  trans-75.841.7-178.232.3-36.9000113.7V260 Q265 V267V260-P312 HydrophobicContact CG1-CB 4.03Å; Q265-P312 HydrophobicContact CB-CG 4.29Å; Q265-P312 VanDerWaalsContact OE1-CG 3.32Å; V267-P312 HydrophobicContact CG2-CB 4.12Å
313T66.8Low66.4Low55 Ų5554 Ų5434%0.33732%0.318SS..  trans-69152.717356.80000111.6R258 A311 D315R258-T313 PolarHBondContact NH1-O 3.41Å; A311-T313 HydrophobicContact CB-CG2 4.18Å; A311-T313 PolarHBondContact O-N 2.91Å; T313-D315 PolarHBondContact OG1-O 3.17Å
314I57.5Low65.5Low126 Ų12654.5 Ų54.565%0.64632%0.321SS*.SBendtrans-72.4-46168.2-57.6178.7000108.3G316I314-G316 PolarHBondContact O-N 2.72Å; I314-G316 VanDerWaalsContact O-N 3.1Å
315D56.9Low64.3Low136 Ų13655.3 Ų55.373%0.72733%0.325SS*.  trans-82.184.7179.2-36.3-82000109.3T313T313-D315 PolarHBondContact OG1-O 3.17Å
316G54.5Low63.2Low29 Ų2954.3 Ų54.330%0.29931%0.313SS..PPolyproline II helixtrans-100.1160.9159.200000110.1I314I314-G316 PolarHBondContact O-N 2.72Å; I314-G316 VanDerWaalsContact O-N 3.1Å
317P55.1Low62.3Low44 Ų4457.5 Ų57.529%0.28632%0.317SS..PPolyproline II helixtrans-58.5154169.226.4-34.2000110.6H307H307-P317 WeakPolarHBondContact O-CG 3.47Å
318S52.2Low61.3Low46 Ų4662.8 Ų62.832%0.32234%0.335SS..PPolyproline II helixtrans-64148.1178.584.50000110.3E320 D321 T322S318-E320 VanDerWaalsContact C-N 3.26Å; S318-D321 WeakPolarHBondContact CB-OD2 3.43Å; S318-D321 WeakPolarHBondContact O-CB 3.41Å; S318-D321 PolarHBondContact O-N 2.83Å; S318-D321 PolarHBondContact OG-N 3.32Å; S318-D321 PolarHBondContact OG-OD2 2.77Å; S318-T322 PolarHBondContact O-N 3.45Å; S318-T322 PolarHBondContact O-OG1 3.31Å
319L53.7Low60Low30 Ų3063.9 Ų63.916%0.15734%0.34CS..Hα-helixtrans-80.3-21.3-176.9-145.959.9000110.9W256 R258 Y269 T322 L323W256-L319 WeakPolarHBondContact O-CD2 3.49Å; R258-L319 HydrophobicContact CB-CD1 4.16Å; R258-L319 HydrophobicContact CB-CD2 4.03Å; R258-L319 VanDerWaalsContact N-CD2 3.32Å; Y269-L319 HydrophobicContact CD1-CD1 4.12Å; Y269-L319 HydrophobicContact CE1-CD1 3.77Å; L319-T322 HydrophobicContact CD1-CG2 4.43Å; L319-T322 WeakPolarHBondContact O-CA 3.34Å; L319-T322 VanDerWaalsContact O-CB 3.31Å; L319-T322 WeakPolarHBondContact O-CB 3.37Å; L319-T322 PolarHBondContact O-N 3.22Å; L319-T322 VanDerWaalsContact O-N 3.15Å; L319-L323 PolarHBondContact O-N 3.19Å
320E48.7Very low58.5Low125 Ų12566.4 Ų66.458%0.58435%0.351SS*.Hα-helixtrans-59.4-42.6163.9-63.870.8-160.800111.3S318 T322 L323 N324S318-E320 VanDerWaalsContact C-N 3.26Å; E320-T322 VanDerWaalsContact C-N 3.28Å; E320-T322 PolarHBondContact O-N 2.97Å; E320-L323 PolarHBondContact O-N 3.21Å; E320-N324 WeakPolarHBondContact O-CB 3.15Å; E320-N324 PolarHBondContact O-N 2.73Å; E320-N324 PolarHBondContact O-ND2 3.37Å
321D49.4Very low56.6Low75 Ų7567.1 Ų67.140%0.40137%0.369SS..Hα-helixtrans-63.1-37.2171.3-68.5-52.5000111.3S318 N324 F325S318-D321 WeakPolarHBondContact CB-OD2 3.43Å; S318-D321 WeakPolarHBondContact O-CB 3.41Å; S318-D321 PolarHBondContact O-N 2.83Å; S318-D321 PolarHBondContact OG-N 3.32Å; S318-D321 PolarHBondContact OG-OD2 2.77Å; D321-N324 CarbonylContact O-C 3.42Å; D321-N324 PolarHBondContact O-N 3.23Å; D321-F325 VanDerWaalsContact O-CB 3.27Å; D321-F325 WeakPolarHBondContact O-CB 3.44Å; D321-F325 PolarHBondContact O-N 3.41Å
322T53Low54.9Low1 Ų168.2 Ų68.21%0.00637%0.374CS..Hα-helixtrans-65.8-39.1178.2-520000111.8F308 S318 L319 E320 F325 V326F308-T322 HydrophobicContact CE1-CG2 3.78Å; F308-T322 HydrophobicContact CE2-CG2 3.97Å; F308-T322 HydrophobicContact CZ-CG2 3.36Å; S318-T322 PolarHBondContact O-N 3.45Å; S318-T322 PolarHBondContact O-OG1 3.31Å; L319-T322 HydrophobicContact CD1-CG2 4.43Å; L319-T322 WeakPolarHBondContact O-CA 3.34Å; L319-T322 VanDerWaalsContact O-CB 3.31Å; L319-T322 WeakPolarHBondContact O-CB 3.37Å; L319-T322 PolarHBondContact O-N 3.22Å; L319-T322 VanDerWaalsContact O-N 3.15Å; E320-T322 VanDerWaalsContact C-N 3.28Å; E320-T322 PolarHBondContact O-N 2.97Å; T322-F325 WeakPolarHBondContact O-CB 3.25Å; T322-F325 PolarHBondContact O-N 3.21Å; T322-V326 WeakPolarHBondContact O-CG2 3.47Å; T322-V326 PolarHBondContact O-N 3.43Å
323L51.5Low53.5Low46 Ų4669 Ų6924%0.24138%0.378CS..Hα-helixtrans-68.3-42.7172.8-69.8167.8000111.9L319 E320 F325 V326 H327L319-L323 PolarHBondContact O-N 3.19Å; E320-L323 PolarHBondContact O-N 3.21Å; L323-F325 PolarHBondContact O-N 3.01Å; L323-V326 PolarHBondContact O-N 2.95Å; L323-H327 WeakPolarHBondContact O-CB 3.15Å; L323-H327 PolarHBondContact O-CD2 3.04Å; L323-H327 VanDerWaalsContact O-CD2 3.31Å; L323-H327 PolarHBondContact O-N 3.12Å
324N54.3Low52Low88 Ų8872 Ų7247%0.47139%0.392SS..Hα-helixtrans-65.7-20.8172.9-76.1-65.1000113.1E320 D321 R328E320-N324 WeakPolarHBondContact O-CB 3.15Å; E320-N324 PolarHBondContact O-N 2.73Å; E320-N324 PolarHBondContact O-ND2 3.37Å; D321-N324 CarbonylContact O-C 3.42Å; D321-N324 PolarHBondContact O-N 3.23Å; N324-R328 VanDerWaalsContact O-CB 3.24Å; N324-R328 WeakPolarHBondContact O-CB 3.19Å; N324-R328 VanDerWaalsContact O-CG 3.29Å; N324-R328 WeakPolarHBondContact O-CG 3.41Å; N324-R328 PolarHBondContact O-N 3.44Å; N324-R328 PolarHBondContact O-NE 2.74Å
325F56.5Low50.9Low17 Ų1774.7 Ų74.78%0.07540%0.398CS..Hα-helixtrans-80.8-46.8173.3173.7-108.1000111.3L303 I304 H307 D321 T322 L323 H327 R328 L329L303-F325 HydrophobicContact CB-CE2 3.84Å; L303-F325 HydrophobicContact CB-CZ 3.72Å; I304-F325 HydrophobicContact CG1-CE1 4.1Å; I304-F325 HydrophobicContact CG1-CZ 4.28Å; H307-F325 AromaticContact CE1-CD2 3.69Å; H307-F325 AromaticContact CE1-CE2 3.89Å; H307-F325 AromaticContact NE2-CD2 3.89Å; D321-F325 VanDerWaalsContact O-CB 3.27Å; D321-F325 WeakPolarHBondContact O-CB 3.44Å; D321-F325 PolarHBondContact O-N 3.41Å; T322-F325 WeakPolarHBondContact O-CB 3.25Å; T322-F325 PolarHBondContact O-N 3.21Å; L323-F325 PolarHBondContact O-N 3.01Å; F325-H327 PolarHBondContact O-N 3.47Å; F325-R328 CarbonylContact O-C 3.52Å; F325-R328 WeakPolarHBondContact O-CA 3.17Å; F325-R328 PolarHBondContact O-N 3.48Å; F325-L329 HydrophobicContact CD1-CD1 4.2Å; F325-L329 HydrophobicContact CE1-CD1 3.59Å; F325-L329 HydrophobicContact CE1-CG 4.27Å; F325-L329 HydrophobicContact CE2-CD1 4.35Å; F325-L329 HydrophobicContact CE2-CD2 4.3Å; F325-L329 HydrophobicContact CE2-CG 4.17Å; F325-L329 HydrophobicContact CZ-CD1 3.67Å; F325-L329 HydrophobicContact CZ-CD2 4.16Å; F325-L329 HydrophobicContact CZ-CG 3.99Å; F325-L329 PolarHBondContact O-N 2.75Å
326V58.1Low49.7Very low30 Ų3075.7 Ų75.718%0.18240%0.404CS..Hα-helixtrans-61.5-43175173.50000111.3W256 T322 L323 R328 L329 H330W256-V326 HydrophobicContact CZ2-CG2 4.44Å; T322-V326 WeakPolarHBondContact O-CG2 3.47Å; T322-V326 PolarHBondContact O-N 3.43Å; L323-V326 PolarHBondContact O-N 2.95Å; V326-R328 VanDerWaalsContact C-N 3.32Å; V326-R328 PolarHBondContact O-N 2.98Å; V326-L329 PolarHBondContact O-N 3.12Å; V326-H330 PolarHBondContact O-N 2.82Å
327H57Low48.7Very low134 Ų13483.1 Ų83.162%0.6243%0.431SS*.Hα-helixtrans-66.4-31172.6-77.9-61.4000113.1L323 F325 G331L323-H327 WeakPolarHBondContact O-CB 3.15Å; L323-H327 PolarHBondContact O-CD2 3.04Å; L323-H327 VanDerWaalsContact O-CD2 3.31Å; L323-H327 PolarHBondContact O-N 3.12Å; F325-H327 PolarHBondContact O-N 3.47Å; H327-G331 PolarHBondContact O-N 2.98Å
328R55.4Low47.4Very low159 Ų15986.2 Ų86.260%0.645%0.454SS*.Hα-helixtrans-71.9-37.2173-89.7-177.7-88.3-165.9-4.1113N324 F325 V326 H330 G331 S332N324-R328 VanDerWaalsContact O-CB 3.24Å; N324-R328 WeakPolarHBondContact O-CB 3.19Å; N324-R328 VanDerWaalsContact O-CG 3.29Å; N324-R328 WeakPolarHBondContact O-CG 3.41Å; N324-R328 PolarHBondContact O-N 3.44Å; N324-R328 PolarHBondContact O-NE 2.74Å; F325-R328 CarbonylContact O-C 3.52Å; F325-R328 WeakPolarHBondContact O-CA 3.17Å; F325-R328 PolarHBondContact O-N 3.48Å; V326-R328 VanDerWaalsContact C-N 3.32Å; V326-R328 PolarHBondContact O-N 2.98Å; R328-H330 VanDerWaalsContact C-N 3.33Å; R328-H330 PolarHBondContact O-N 3.11Å; R328-G331 CarbonylContact O-C 3.55Å; R328-G331 PolarHBondContact O-N 3.27Å; R328-S332 VanDerWaalsContact O-CB 3.3Å; R328-S332 WeakPolarHBondContact O-CB 3.31Å; R328-S332 PolarHBondContact O-N 3.43Å; R328-S332 PolarHBondContact O-OG 3.27Å; R328-S332 VanDerWaalsContact O-OG 3.06Å
329L57Low46.5Very low24 Ų2489.9 Ų89.913%0.12647%0.473CS..Hα-helixtrans-59.1-44.6172.3-74.3174.3000111.2I300 F325 V326 G331 V333I300-L329 HydrophobicContact CG1-CD2 4.18Å; I300-L329 HydrophobicContact CG2-CD1 4.37Å; I300-L329 HydrophobicContact CG2-CD2 3.81Å; F325-L329 HydrophobicContact CD1-CD1 4.2Å; F325-L329 HydrophobicContact CE1-CD1 3.59Å; F325-L329 HydrophobicContact CE1-CG 4.27Å; F325-L329 HydrophobicContact CE2-CD1 4.35Å; F325-L329 HydrophobicContact CE2-CD2 4.3Å; F325-L329 HydrophobicContact CE2-CG 4.17Å; F325-L329 HydrophobicContact CZ-CD1 3.67Å; F325-L329 HydrophobicContact CZ-CD2 4.16Å; F325-L329 HydrophobicContact CZ-CG 3.99Å; F325-L329 PolarHBondContact O-N 2.75Å; V326-L329 PolarHBondContact O-N 3.12Å; L329-G331 VanDerWaalsContact C-N 3.29Å; L329-G331 PolarHBondContact O-N 2.89Å; L329-V333 HydrophobicContact CD2-CG2 4.32Å; L329-V333 WeakPolarHBondContact O-CG2 3.22Å; L329-V333 PolarHBondContact O-N 3.48Å
330H52.7Low45.4Very low109 Ų10999 Ų9951%0.50551%0.506SS..Hα-helixtrans-58.9-37.7171.3-108.9-126000113N291 V326 R328N291-H330 PolarHBondContact OD1-CD2 3.41Å; N291-H330 VanDerWaalsContact OD1-CD2 3.32Å; N291-H330 PolarHBondContact OD1-NE2 2.68Å; V326-H330 PolarHBondContact O-N 2.82Å; R328-H330 VanDerWaalsContact C-N 3.33Å; R328-H330 PolarHBondContact O-N 3.11Å
331G45.4Very low44.5Very low53 Ų5399.4 Ų99.455%0.54651%0.512SS..Hα-helixtrans-85.2-20.2-178.200000116.4H327 R328 L329H327-G331 PolarHBondContact O-N 2.98Å; R328-G331 CarbonylContact O-C 3.55Å; R328-G331 PolarHBondContact O-N 3.27Å; L329-G331 VanDerWaalsContact C-N 3.29Å; L329-G331 PolarHBondContact O-N 2.89Å
332S44.8Very low43.4Very low71 Ų71101.7 Ų101.750%0.49753%0.534SS..Hα-helixtrans-107.6-32.3-171.673.20000114.5R328R328-S332 VanDerWaalsContact O-CB 3.3Å; R328-S332 WeakPolarHBondContact O-CB 3.31Å; R328-S332 PolarHBondContact O-N 3.43Å; R328-S332 PolarHBondContact O-OG 3.27Å; R328-S332 VanDerWaalsContact O-OG 3.06Å
333V43.5Very low42.3Very low52 Ų52107.1 Ų107.132%0.31557%0.567SS.*G310 helixtrans-79.2-28.9-175.8-1730000111.6I300 L329 K335I300-V333 HydrophobicContact CD1-CG2 3.84Å; L329-V333 HydrophobicContact CD2-CG2 4.32Å; L329-V333 WeakPolarHBondContact O-CG2 3.22Å; L329-V333 PolarHBondContact O-N 3.48Å; V333-K335 PolarHBondContact O-N 2.92Å
334L34.9Very low41.2Very low118 Ų118110.2 Ų110.262%0.61859%0.592SS**G310 helixtrans-75.322.1175.1-74.2171.5000114.6
335K35.3Very low40Very low181 Ų181113.9 Ų113.979%0.78761%0.606SS**G310 helixtrans-1402.2-176.5-90.7-163.5170.9-168.80116.6V333 E337V333-K335 PolarHBondContact O-N 2.92Å; K335-E337 PolarHBondContact O-N 3.15Å
336D31.6Very low38.6Very low158 Ų158121.6 Ų121.685%0.84564%0.64SS**  trans-100.952.8-175.8-150.84.5000112.7
337E32Very low37.3Very low184 Ų184126.3 Ų126.386%0.8666%0.664SS**SBendtrans-143.3113163.7-165.4160.9-155.500112.3K335K335-E337 PolarHBondContact O-N 3.15Å
338S27.5Very low35.8Very low110 Ų110125.9 Ų125.977%0.76967%0.671SS**SBendtrans74.6153.2173.9-155.90000118.5
339V34.5Very low34.4Very low122 Ų122124.1 Ų124.174%0.73968%0.678SS**  trans59.584.2176.6-163.60000114.4
340R30.7Very low33.2Very low223 Ų223128.7 Ų128.784%0.84271%0.707SS**  55.3127.386.2-64.2-171.6-172.7155.54.7115.5
341D28.4Very low31.8Very low132 Ų132128.1 Ų128.171%0.70672%0.715SS**SBendtrans62.5100.2152.3-50.4-34.2000119.4
342S26.5Very low31Very low123 Ų123131.1 Ų131.186%0.8673%0.728SS**  67.952127-53.20000119.6
343V31.5Very low30.2Very low116 Ų116132.7 Ų132.770%0.70374%0.739SS**  trans-124.595.1162.6-172.20000112.6F346V343-F346 HydrophobicContact CG1-CD2 4.43Å
344S28.6Very low29.6Very low110 Ų110137.3 Ų137.377%0.76977%0.766SS**  trans-85.1152142.9-174.10000108
345Q27.4Very low29.2Very low165 Ų165139.5 Ų139.577%0.77178%0.779SS**  trans67.698.2-175.8-43.9174.824.400116.1
346F27.9Very low29Very low179 Ų179136.9 Ų136.979%0.78578%0.783SS**  -157.8118.2129.2-92.9-79.2000105.2V343V343-F346 HydrophobicContact CG1-CD2 4.43Å
347L30.1Very low28.9Very low130 Ų130134.1 Ų134.168%0.68178%0.776SS**  53.2119.394.1-77.874.1000112.5
348T25.7Very low28.9Very low124 Ų124132.2 Ų132.276%0.76177%0.772SS**  75.8109.262.7-590000112.1
349T26.5Very low29Very low123 Ų123131.6 Ų131.676%0.75577%0.768SS**  trans67.6153.8-173.8-1.10000111.8
350V30.8Very low28.9Very low120 Ų120131.6 Ų131.673%0.72777%0.768SS**  cis-141.5123.216.8-175.90000106.9
351S25.3Very low28.8Very low97 Ų97126.1 Ų126.168%0.67876%0.764SS**  5214094.7-41.20000117.4
352S27.8Very low28.9Very low116 Ų116128.5 Ų128.581%0.81177%0.77SS**  trans70.3156.4169.278.70000117.9
353S26.9Very low28.9Very low104 Ų104127 Ų12773%0.72777%0.765SS**  cis-175.7134.6-37.654.10000110.1
354V32.5Very low28.9Very low148 Ų148128.3 Ų128.390%0.89777%0.773SS**  trans-159.8145.2150.8-108.50000109.9
355N26.6Very low28.8Very low164 Ų164132.6 Ų132.688%0.87778%0.778SS**  trans-111.6142.7173.4-57.2-30.9000109.3
356S30.1Very low29Very low127 Ų127130.6 Ų130.689%0.88878%0.783SS**  trans-147.3144.1156.2470000108.2
357S29.3Very low29.1Very low100 Ų100127.3 Ų127.370%0.69978%0.781SS**  trans-124.7-174-161.7600000113.2
358D32Very low29.2Very low144 Ų144129.4 Ų129.477%0.7779%0.788SS**  trans83.1149.7163.6-47.3-9.8000116.7
359S29Very low29.4Very low97 Ų97132.2 Ų132.268%0.67879%0.792SS**  cis-170.6178.5-38.754.20000109.5
360V32.4Very low29.7Very low122 Ų122132.7 Ų132.774%0.73980%0.795SS**  trans71.9111169.5-167.80000114.5
361S28.5Very low29.6Very low108 Ų108131.7 Ų131.776%0.75579%0.793SS**  64.3150.576.8-49.10000114.4
362Q31Very low29.8Very low181 Ų181133.2 Ų133.285%0.84680%0.799SS**  cis-167.2144.320.8-154.8177.330.500113.2
363A27.2Very low29.8Very low91 Ų91133.1 Ų133.175%0.75280%0.797SS**  trans56.2174.5156.400000118.9
364V30.6Very low30Very low144 Ų144139.1 Ų139.187%0.87380%0.804SS**  cis-138.6167.114.3178.10000110.8
365K27.3Very low30Very low201 Ų201139.6 Ų139.687%0.87480%0.799SS**  trans-99.5154.9-175.7-55.5174.4179.5178.70115.4
366S31.2Very low30Very low123 Ų123137 Ų13786%0.8679%0.79SS**  trans-158.9-178.1150.457.60000109.9
367S29.3Very low30.2Very low109 Ų109140.2 Ų140.276%0.76279%0.788SS**  -146.5-171.8-96.3-157.70000110.1
368E32.7Very low30.2Very low175 Ų175141 Ų14182%0.81878%0.784SS**  trans72.8108.1170.7-58.3178.6153.800113.8
369E30.2Very low30.4Very low182 Ų182139.9 Ų139.985%0.8579%0.785SS**  63.3132.863.6-57-163.5176.400112.4
370V32.9Very low30.5Very low133 Ų133141.5 Ų141.581%0.80679%0.786SS**  -148.316250.7166.90000113.3
371S28.8Very low30.5Very low100 Ų100146.4 Ų146.470%0.69979%0.793SS**  trans-36.9167.7168.8-50.30000117.5
372T28.5Very low30.6Very low128 Ų128146.7 Ų146.779%0.78580%0.795SS**  cis-162.4174.831.6-20.80000108.3
373C29.6Very low30.7Very low115 Ų115143.1 Ų143.178%0.77779%0.787SS**  cis-138.8-163.721.3-66.80000111.8
374R29.6Very low30.8Very low230 Ų230146.2 Ų146.287%0.86879%0.791SS**  trans-131.1156.2168.4-77.4-179.4168.6177.1-5.8112
375I32.6Very low30.8Very low158 Ų158143.8 Ų143.881%0.8178%0.781SS**  trans-130135.9155.7-62.7177.7000106.4F377I375-F377 HydrophobicContact CG2-CE2 4.15Å
376T27.1Very low31.1Very low110 Ų110141.1 Ų141.168%0.67578%0.776SS**  trans-119.7138.2-171.8-36.30000111
377F33.3Very low31.1Very low193 Ų193142.1 Ų142.185%0.84677%0.771SS**  trans-132.8134.9162.5-78.1-81.8000108.5I375I375-F377 HydrophobicContact CG2-CE2 4.15Å
378N30.6Very low31.3Very low117 Ų117144 Ų14463%0.62677%0.772SS**  trans-110.3130.3-166.9-152.650000111.9D380N378-D380 PolarHBondContact ND2-OD1 3.49Å; N378-D380 PolarHBondContact ND2-OD2 2.91Å
379P37Very low31.1Very low120 Ų120141.2 Ų141.278%0.77977%0.771SS**  trans-115.983.8167.236-23.2000111.2Y381P379-Y381 PolarHBondContact O-N 3.4Å
380D29.9Very low31.3Very low131 Ų131137 Ų13770%0.70177%0.767SS**  trans-69.998.4174.7-63.7-54.8000111.2N378N378-D380 PolarHBondContact ND2-OD1 3.49Å; N378-D380 PolarHBondContact ND2-OD2 2.91Å
381Y31.7Very low31.5Very low226 Ų226139.7 Ų139.789%0.88677%0.768SS**  trans-146.884.4158.9-113.8-78.5000111P379 P383P379-Y381 PolarHBondContact O-N 3.4Å; Y381-P383 WeakPolarHBondContact O-CD 3.32Å
382S30.9Very low31.5Very low114 Ų114146.2 Ų146.280%0.79778%0.778SS**  trans-80.3122.1170.6-178.50000110.2
383P33.2Very low31.6Very low105 Ų105145.9 Ų145.968%0.68278%0.78SS**  trans-89121.5170.932.9-28.7000110.4Y381Y381-P383 WeakPolarHBondContact O-CD 3.32Å
384N29.9Very low31.7Very low156 Ų156149.6 Ų149.683%0.83478%0.783SS**  trans179.6172146.7-99.5-38.6000113.7
385S31.7Very low32Very low94 Ų94146.1 Ų146.166%0.65778%0.781SS**  trans64.3118.9164.850.10000118.7
386D32.7Very low32.2Very low144 Ų144142.6 Ų142.677%0.7777%0.77SS**  trans68.7144.6132-58.1-7.6000120.2
387L31.1Very low32.5Very low144 Ų144144.3 Ų144.375%0.75478%0.776SS**  cis-175.3171.5-26.5-116.7167.4000105.6
388L33.6Very low32.6Very low150 Ų150141.9 Ų141.979%0.78577%0.771SS**  trans74.7119.6168.1-50175.1000119.9
389S29.5Very low32.9Very low116 Ų116142.3 Ų142.381%0.81177%0.773SS**  67.8140.8125-63.40000121.7
390A34Very low32.8Very low92 Ų92144.1 Ų144.176%0.7678%0.775SS**  cis-158.3149.93.200000115.6
391K36Very low33Very low190 Ų190142.5 Ų142.583%0.82677%0.774SS**  trans20.5141.6144.4-76.9177.3175.51700123.4
392R29.5Very low33.1Very low238 Ų238135.7 Ų135.790%0.89876%0.76SS**  trans77.9154.3153.1-71.6171.1168.9-175.7-6116
393S31.2Very low33.3Very low120 Ų120137.4 Ų137.484%0.83976%0.76SS**  cis-133.1-175.713.6-158.20000114.3
394K31Very low33.2Very low193 Ų193137.8 Ų137.884%0.83976%0.764SS**  trans-146.1126.7-171.9179-166.8178.5-170.80112.4
395L37Very low33.3Very low157 Ų157138.7 Ų138.782%0.82276%0.76SS**  trans-152.8124.4169.4-73.6-177.9000106
396S35.1Very low33.4Very low84 Ų84141.9 Ų141.959%0.58777%0.768SS**  65131.871.9690000113.7
397D33.2Very low33.4Very low147 Ų147144 Ų14479%0.78677%0.771SS**  cis-160.7-164.5-4.2-101.6-32.2000109.3
398D36.6Very low33.2Very low141 Ų141144.1 Ų144.175%0.75477%0.767SS**  trans74.8149.6161.9-63.4-12.1000120.2
399L36.1Very low33.1Very low126 Ų126142 Ų14266%0.6676%0.763SS**  cis-163.5138-20.4-108.6169.5000110.3
400L35.7Very low33Very low159 Ų159141.1 Ų141.183%0.83276%0.756SS**  trans65.8158.1159.8-51.3168.3000117.1
401S33.2Very low33.1Very low96 Ų96144.6 Ų144.667%0.67176%0.761SS**  cis-150.1151.85-1670000113.2
402S35.3Very low32.7Very low84 Ų84143 Ų14359%0.58776%0.76SS**  trans38.1107.6146.259.70000120.3
403D35Very low32.8Very low149 Ų149141.4 Ų141.480%0.79776%0.76SS**  97.6150.495-78.7-60.3000113.3
404C31Very low32.8Very low113 Ų113139.7 Ų139.776%0.76476%0.761SS**  cis-141.9-175.212-154.20000113.3
405K30.2Very low32.6Very low175 Ų175139.7 Ų139.776%0.76176%0.764SS**  trans-73.2165.2-170.2-62.3160.1-177163.50112.8
406I34.3Very low32.2Very low162 Ų162138 Ų13883%0.83177%0.765SS**  -161.9113.780.4-82.4157.8000112.7
407K33.2Very low31.8Very low189 Ų189140 Ų14082%0.82277%0.774SS**  60.5100.2127.5-155174.5-172.9-178.20121.6
408E26.8Very low31.6Very low145 Ų145139.7 Ų139.768%0.67877%0.772SS**  trans-73.6165.5143.5-150.8-159.8131.400110.1S410E408-S410 VanDerWaalsContact OE1-CB 3.24Å; E408-S410 WeakPolarHBondContact OE1-CB 3.29Å; E408-S410 PolarHBondContact OE1-N 3.41Å; E408-S410 PolarHBondContact OE1-OG 3.47Å
409P31.8Very low31Very low106 Ų106138.4 Ų138.469%0.68877%0.772SS**  -15114396.237.9-20.6000116.4
410S27.8Very low30.5Very low97 Ų97140 Ų14068%0.67878%0.781SS**  trans-78.9146.415941.50000111.9E408E408-S410 VanDerWaalsContact OE1-CB 3.24Å; E408-S410 WeakPolarHBondContact OE1-CB 3.29Å; E408-S410 PolarHBondContact OE1-N 3.41Å; E408-S410 PolarHBondContact OE1-OG 3.47Å
411I34.9Very low30.2Very low166 Ų166137.1 Ų137.185%0.85178%0.78SS**  trans-120.7138.5175-64.7-180000109.4
412L28.2Very low29.9Very low155 Ų155140 Ų14081%0.81279%0.788SS**  trans-125.4156.1-168.4-122.9168.5000111
413K30.9Very low29.7Very low206 Ų206140.5 Ų140.590%0.89680%0.797SS**  trans76.1139.6173.8-56.2175176.9177.30116.6
414G31.7Very low29.5Very low84 Ų84139.7 Ų139.787%0.86680%0.798SS**  trans172.956.3-178.800000112
415Q26.5Very low29.5Very low193 Ų193139.1 Ų139.190%0.90280%0.795SS**  trans-102.1122.4-173-179.9-17510.900111.1
416S29.2Very low29.4Very low120 Ų120136 Ų13684%0.83980%0.796SS**  trans-176.4178.9156.741.30000110.5
417V26.9Very low29.1Very low127 Ų127132.4 Ų132.477%0.7779%0.79SS**  trans-137.1167.3-160.2-148.20000111.1
418N27.8Very low28.7Very low141 Ų141129.1 Ų129.175%0.75479%0.789SS**  trans91.4143.1151.8-72.8-15.2000121.5
419C24.3Very low28.7Very low113 Ų113126.9 Ų126.976%0.76479%0.79SS**  trans76.1101.5148.2-70.30000121.5
420L25.1Very low28.5Very low159 Ų159127.4 Ų127.483%0.83279%0.791SS**  67109.1106.9-167.781.9000119.2
421A29.6Very low28.5Very low99 Ų99131.1 Ų131.182%0.81880%0.798SS**  trans-163.9148.1130.300000113.2
422N26.4Very low28Very low158 Ų158127.6 Ų127.685%0.84579%0.788SS**  trans-59.1149.8-177.4-57.1-25000116
423A31.9Very low27.9Very low94 Ų94128.7 Ų128.778%0.77779%0.786SS**  trans-150.4130.3130.400000112.1
424T31.3Very low27.6Very low131 Ų131125.5 Ų125.580%0.80478%0.784SS**  trans-14.8152.2154.445.60000119.2
425S30.7Very low27.4Very low102 Ų102125.5 Ų125.571%0.71377%0.77SS**  cis179.7167-0.746.90000111.2
426S28.7Very low27.3Very low110 Ų110121.4 Ų121.477%0.76976%0.763SS**  trans71.9132.8168.1-145.30000114
427A26.6Very low27.3Very low85 Ų85122 Ų12270%0.70276%0.757SS**  cis66.5139.637.900000113.2
428C26.2Very low27.2Very low120 Ų120123.6 Ų123.681%0.81176%0.761SS**  cis-144.5175.38.7-151.10000112.6
429S25.1Very low27.1Very low99 Ų99122.1 Ų122.169%0.69276%0.761SS**  trans-46.5160.9166.7-41.10000114.3
430T29.4Very low27.1Very low117 Ų117125.5 Ų125.572%0.71877%0.765SS**  172.5129.9113.6-73.20000112.8
431Q27.5Very low27.1Very low175 Ų175125.1 Ų125.182%0.81876%0.763SS**  trans19.7150.2149.3-53.2163.69.100122.5
432S24.4Very low26.9Very low92 Ų92126.8 Ų126.864%0.64376%0.759SS**  trans72.8147.3157.1-136.40000115.5
433F25.7Very low27Very low177 Ų177127.3 Ų127.378%0.77676%0.76SS**  cis-127.1139.917.2-74.9-102.2000113.5
434V25.3Very low26.7Very low140 Ų140129.7 Ų129.785%0.84876%0.759SS**  trans-81122.3144.1174.30000106.4
435S27.5Very low26.4Very low83 Ų83128.3 Ų128.358%0.5875%0.753SS**  trans-14987.6169.6-72.90000108.8N437S435-N437 PolarHBondContact O-N 3.14Å; S435-N437 VanDerWaalsContact O-N 3.09Å
436S24.5Very low26.3Very low108 Ų108128.8 Ų128.876%0.75575%0.752SS**  trans-63.599.516648.50000109.5
437N28.4Very low26.2Very low132 Ų132129.6 Ų129.671%0.70675%0.748SS**  trans-113.1105.5166.4-80.6-22.2000108.5S435 C439S435-N437 PolarHBondContact O-N 3.14Å; S435-N437 VanDerWaalsContact O-N 3.09Å; N437-C439 PolarHBondContact O-N 3.1Å
438N24.9Very low26.3Very low160 Ų160131.1 Ų131.186%0.85675%0.748SS**  trans-67.4110.5160.9-72.9-9.1000107.3
439C26.5Very low26.6Very low110 Ų110132 Ų13274%0.74374%0.744SS**  trans-116.686.4167.5-70.10000108.3N437N437-C439 PolarHBondContact O-N 3.1Å
440E23.4Very low26.8Very low184 Ų184135.5 Ų135.586%0.8675%0.749SS**  trans-59.8133.5160.4-58.2171.6119.600109
441L25.1Very low26.9Very low151 Ų151135.3 Ų135.379%0.79175%0.748SS**  trans-165.7104.5156.2-94.4137.2000105.5
442N24.8Very low26.9Very low135 Ų135131.3 Ų131.372%0.72274%0.74SS**  61.6102.190.4-78.4-22.4000114.3
443I28.4Very low27.3Very low169 Ų169131.8 Ų131.887%0.86774%0.743SS**  -151.1107.4119.2-82.4126.9000103.5
444L25.7Very low27.6Very low144 Ų144130.1 Ų130.175%0.75474%0.74SS**  81.3151.554.8-166.365.3000112.4
445C26.6Very low27.8Very low102 Ų102129.8 Ų129.869%0.68973%0.734SS**  trans82.699.9-176.5-62.40000115
446T27.5Very low27.9Very low112 Ų112133.4 Ų133.469%0.68774%0.742SS**  81.2137.365630000112.7
447D27.7Very low28.1Very low127 Ų127134.9 Ų134.968%0.67974%0.739SS**  cis-1631677-128.2-31.4000114.2
448T28.7Very low28.2Very low116 Ų116137.6 Ų137.671%0.71274%0.74SS**  trans59.9144.3152.654.90000120.5
449L30.7Very low28.5Very low140 Ų140137.3 Ų137.373%0.73373%0.734SS**  cis-150.1133.9-3.6-96.9149.8000106.3
450H29.6Very low28.4Very low171 Ų171135.4 Ų135.479%0.79273%0.733SS**  62.714694.1-86.52.3000116.4
451T31.2Very low28.8Very low113 Ų113132.4 Ų132.469%0.69373%0.729SS**  cis-141.5149.927.3530000115.4
452S29.1Very low28.9Very low92 Ų92129.6 Ų129.664%0.64372%0.722SS**  trans46.6138.3140.468.90000121.3
453S32.7Very low29Very low102 Ų102127.8 Ų127.871%0.71372%0.72SS**  cis-149.315028.1-67.50000110.2
454I30.8Very low29Very low141 Ų141127.9 Ų127.972%0.72371%0.714SS**  65.6115.252.8-60.6172.6000110
455N31.2Very low29.2Very low133 Ų133128.2 Ų128.271%0.71171%0.712SS**  cis-138.5147.96.5-94-25.1000109.8
456Q29.5Very low29.4Very low159 Ų159128.7 Ų128.774%0.74371%0.707SS**  51.5101.981.1-64.1-153.910.600114.4
457I28.5Very low29.6Very low139 Ų139128.9 Ų128.971%0.71370%0.704SS**  82.8114.391.5-72.3161.7000113.5
458R29.4Very low29.6Very low189 Ų189131.4 Ų131.471%0.71371%0.712SS**  157.6132.7120.8-175.8163.9-75.6-105.19113
459E31.3Very low29.6Very low155 Ų155132.2 Ų132.272%0.72471%0.706SS**  trans51143.7161-74.1132-140.100121.3
460G24.8Very low29.6Very low70 Ų70132.3 Ų132.372%0.72271%0.712SS**  trans-105.2-149.2169.200000111.3
461P32.1Very low29.8Very low120 Ų120129.6 Ų129.678%0.77970%0.7SS**  cis-127-153.95.941.2-23.5000112.5
462S26.8Very low29.9Very low93 Ų93133.2 Ų133.265%0.6571%0.706SS**  trans60105.8152.160.70000120.7
463S26.4Very low30.1Very low96 Ų96136.8 Ų136.867%0.67171%0.713SS**  74.8154.5124.471.60000121.4
464F29Very low29.9Very low172 Ų172138.7 Ų138.775%0.75472%0.715SS**  trans64.2110.6173.2-68.7-82.5000115.2
465E30.4Very low30Very low151 Ų151139 Ų13971%0.70672%0.717SS**  76.6140.977.5-81.4-140.2111.200114
466N29.2Very low30.1Very low111 Ų111138.3 Ų138.359%0.59471%0.714SS**  cis-163.3168.3-21.1-149.8-21000109.3
467N31.6Very low30.1Very low116 Ų116137.6 Ų137.662%0.6272%0.715SS**  trans56.7108.7159.5-59.6-53.4000119.9
468Q27.6Very low30.2Very low180 Ų180138.2 Ų138.284%0.84172%0.719SS**  trans-65.3133.7148.1-71.5-178.10.800110
469F28.8Very low30.1Very low133 Ų133133.9 Ų133.958%0.58372%0.717SS**  trans-150.175.6159.4-116.4-70.4000113.7F4 H471F4-F469 HydrophobicContact CB-CZ 4.26Å; F4-F469 HydrophobicContact CD1-CZ 4.06Å; F4-F469 AromaticContact CD2-CE1 3.78Å; F4-F469 HydrophobicContact CD2-CE1 3.78Å; F4-F469 AromaticContact CD2-CZ 3.41Å; F4-F469 HydrophobicContact CD2-CZ 3.41Å; F4-F469 VanDerWaalsContact CD2-CZ 3.41Å; F4-F469 HydrophobicContact CE1-CZ 4.24Å; F4-F469 HydrophobicContact CE2-CE1 4.02Å; F4-F469 AromaticContact CE2-CZ 3.63Å; F4-F469 HydrophobicContact CE2-CZ 3.63Å; F4-F469 HydrophobicContact CG-CE1 4.39Å; F4-F469 HydrophobicContact CG-CE2 4.4Å; F4-F469 AromaticContact CG-CZ 3.65Å; F4-F469 HydrophobicContact CG-CZ 3.65Å; F4-F469 HydrophobicContact CZ-CZ 4.04Å; F469-H471 PolarHBondContact O-N 3.03Å; F469-H471 VanDerWaalsContact O-N 3.12Å
470T32.3Very low30.2Very low142 Ų142135.4 Ų135.487%0.87172%0.721SS**  trans-79.688173.632.60000111.9
471H32.1Very low30.4Very low115 Ų115138.4 Ų138.453%0.53273%0.726SS.*  trans-92.2135.7169.4-172.2-57.5000111.6M1 F469 Q473M1-H471 WeakPolarHBondContact CA-NE2 3.32Å; M1-H471 PolarHBondContact N-CE1 3.4Å; M1-H471 VanDerWaalsContact N-CE1 3.34Å; M1-H471 PolarHBondContact N-NE2 3.41Å; F469-H471 PolarHBondContact O-N 3.03Å; F469-H471 VanDerWaalsContact O-N 3.12Å; H471-Q473 PolarHBondContact O-N 2.97Å
472K33.4Very low30.4Very low189 Ų189136.2 Ų136.282%0.82273%0.726SS**  trans-69.3120.1-178.8-60.5179.4179.8-179.70113.3
473Q33.6Very low30.6Very low167 Ų167139.1 Ų139.178%0.7873%0.734SS**  trans-166.3109.6137.4-103.2152.2-7.400106.9H471H471-Q473 PolarHBondContact O-N 2.97Å
474N28.4Very low31Very low142 Ų142143.3 Ų143.376%0.75974%0.743SS**  62.989.675.2-172.828.4000112.8
475L34Very low31.2Very low146 Ų146143.6 Ų143.676%0.76474%0.74SS**  trans-179.9118.5137.3-97.2162.4000112.1
476N32.5Very low31.2Very low120 Ų120145.4 Ų145.464%0.64275%0.746SS**  trans36.4116.7139.8-59.9-4.2000122.7
477N29.6Very low31.3Very low143 Ų143144 Ų14477%0.76575%0.749SS**  79.4156.9125.3-59.6-12.5000122.8
478L30.8Very low31.1Very low153 Ų153144.4 Ų144.480%0.80176%0.756SS**  trans75.979.8153.6-105.764.5000120.5
479S27.7Very low31.2Very low97 Ų97141 Ų14168%0.67875%0.753SS**  38.3149.7115.572.20000123.4
480K32.5Very low31.3Very low187 Ų187139.5 Ų139.581%0.81376%0.758SS**  trans100.2101.7155.3-70.3-171.6171.3-175.40118.5
481T28.8Very low31Very low133 Ų133137.9 Ų137.982%0.81675%0.753SS**  29.1122.4119.956.70000119.3
482G33.1Very low31Very low75 Ų75137.7 Ų137.777%0.77377%0.765SS**  trans-151.8130.1152.900000109.3
483D30.4Very low30.7Very low154 Ų154134.4 Ų134.482%0.82476%0.76SS**  trans-100.1125.6-176.7-58.3-74.2000111.6
484E35.6Very low30.6Very low184 Ų184136.2 Ų136.286%0.8677%0.766SS**  trans-152.3146.8167.4-62.5-156.8141.200109.4
485Y31.9Very low30.6Very low178 Ų178136.2 Ų136.270%0.69876%0.761SS**  cis-169.7156.4-26.4-124.8-74.4000107.7
486F31.6Very low30.4Very low188 Ų188137.1 Ų137.183%0.82577%0.767SS**  trans65.2154168.3-58-64.7000118.4
487A31Very low30.2Very low81 Ų81137.2 Ų137.267%0.66977%0.767SS**  cis-160.8158-21.100000112.8
488T26.4Very low30.4Very low125 Ų125138.1 Ų138.177%0.76777%0.77SS**  trans-14132.4161.454.80000118.5
489S30.4Very low30.5Very low109 Ų109135.9 Ų135.976%0.76277%0.767SS**  172.6171.480.2-63.10000111.2
490S30.5Very low30.5Very low101 Ų101137.1 Ų137.171%0.70678%0.776SS**  cis-170.1139.5-34-82.10000111.7
491S26.5Very low30.6Very low109 Ų109134.2 Ų134.276%0.76278%0.78SS**  trans25.9116.2156.662.70000123.7
492S31.6Very low30.5Very low111 Ų111139.2 Ų139.278%0.77678%0.783SS**  -178.3121.6123.642.70000107.8
493V27.6Very low30.5Very low119 Ų119143 Ų14372%0.72178%0.784SS**  cis69.288.943.1-170.10000113.1
494F32.1Very low30.7Very low206 Ų206144.7 Ų144.790%0.90478%0.784SS**  trans-138.7131.9142.2-89.8-77.9000108.7
495H27Very low30.2Very low141 Ų141143.8 Ų143.865%0.65378%0.78SS**  trans-82.7154.8168.8-100.7-103.8000109.3D497H495-D497 IonicContact CE1-OD2 3.14Å; H495-D497 IonicContact ND1-OD2 2.86Å; H495-D497 PolarHBondContact ND1-OD2 3.32Å; H495-D497 VanDerWaalsContact ND1-OD2 3.14Å
496D31.4Very low30.2Very low166 Ų166140.5 Ų140.589%0.88878%0.783SS**  -162.3142.7104.3-95.9-23.3000111.6
497D28.8Very low29.9Very low122 Ų122138.9 Ų138.965%0.65278%0.778SS**  trans-86.7165.8-178.5-75-94.1000112H495H495-D497 IonicContact CE1-OD2 3.14Å; H495-D497 IonicContact ND1-OD2 2.86Å; H495-D497 PolarHBondContact ND1-OD2 3.32Å; H495-D497 VanDerWaalsContact ND1-OD2 3.14Å
498I33.7Very low30Very low161 Ų161142.6 Ų142.683%0.82679%0.786SS**  -178.2134.5126.6-94.7154.5000111.6
499S31.4Very low30Very low106 Ų106144.1 Ų144.174%0.74178%0.784SS**  trans47.698.9162.9-630000118.5
500S29.3Very low30.1Very low124 Ų124146.3 Ų146.387%0.86779%0.787SS**  59.796.157.6-61.50000117.4
501S33.1Very low29.9Very low126 Ų126148 Ų14888%0.88179%0.788SS**  trans-152.868.7149.264.20000112.6
502R27.5Very low30.2Very low238 Ų238148.5 Ų148.590%0.89879%0.792SS**  trans-72.1125.1170.9173.5-160.4-64.3-1510110.3
503I33.3Very low30Very low154 Ų154152.1 Ų152.179%0.7980%0.797SS**  trans-158.8124.9155.8-108.9147.7000114.8
504K33.2Very low30Very low189 Ų189150.8 Ų150.882%0.82280%0.798SS**  trans53.2111.3149.6-59.1-176.4-179.7-178.70122.8
505Q26.3Very low29.7Very low166 Ų166146.6 Ų146.678%0.77679%0.79SS**  trans-57.9136.1151.1167.5-170.9-2.600114.8
506S30.9Very low29.9Very low109 Ų109143.9 Ų143.976%0.76279%0.792SS**  trans-167.8119.8153.853.40000106.8
507Q26.8Very low29.6Very low154 Ų154145 Ų14572%0.7279%0.788SS**  cis76.453.733.5-153.4170100115.6
508L32.1Very low29.6Very low158 Ų158146.8 Ų146.883%0.82780%0.797SS**  trans-141.4115.6147.8-75.2167.5000102.9
509Q26.8Very low29.5Very low157 Ų157144.6 Ų144.673%0.73479%0.792SS**  cis54.49043-163.4162.98.900113.2
510N31.4Very low29.2Very low155 Ų155146 Ų14683%0.82980%0.796SS**  trans-155134151.7-99.1-32.4000107.7
511D28.3Very low29.3Very low136 Ų136147.9 Ų147.973%0.72779%0.791SS**  trans-85.4150.1-172.8-49.6-77.3000112.2
512S31Very low29.1Very low121 Ų121148 Ų14885%0.84679%0.786SS**  trans-160.261.6163.7-79.90000110.9A514S512-A514 PolarHBondContact O-N 3.46Å
513E27.2Very low29.3Very low186 Ų186143.5 Ų143.587%0.86978%0.779SS**  trans-69.492.7168.7-175.9176.4-150.700109.9V515E513-V515 HydrophobicContact CG-CG2 4.32Å
514A29.6Very low29.1Very low91 Ų91142.2 Ų142.275%0.75278%0.779SS**  trans-106.275.2-174.700000112.3S512 A516S512-A514 PolarHBondContact O-N 3.46Å; A514-A516 VanDerWaalsContact C-N 3.32Å; A514-A516 PolarHBondContact O-N 3.34Å
515V25.5Very low29.1Very low119 Ų119139.2 Ų139.272%0.72178%0.777SS**  trans-71.384.2175.2-178.40000110.7E513 K517E513-V515 HydrophobicContact CG-CG2 4.32Å; V515-K517 PolarHBondContact O-N 2.95Å
516A29.7Very low29.2Very low84 Ų84134 Ų13469%0.69477%0.768SS**  trans-77.263.8179.100000113A514 L518A514-A516 VanDerWaalsContact C-N 3.32Å; A514-A516 PolarHBondContact O-N 3.34Å; A516-L518 VanDerWaalsContact C-N 3.3Å; A516-L518 PolarHBondContact O-N 2.91Å
517K26.3Very low29.1Very low188 Ų188133.8 Ų133.882%0.81777%0.772SS**  trans-71.981.5170.3-178.2-167173.3-174.90109.9V515V515-K517 PolarHBondContact O-N 2.95Å
518L29.2Very low29.2Very low161 Ų161134.3 Ų134.384%0.84378%0.779SS**PPolyproline II helixtrans-101.7129.6179.3-84.5170.1000112.8A516A516-L518 VanDerWaalsContact C-N 3.3Å; A516-L518 PolarHBondContact O-N 2.91Å
519T30.4Very low29Very low115 Ų115138.4 Ų138.471%0.70678%0.784SS**PPolyproline II helixtrans-84.1162.8-176.132.40000113.4E521T519-E521 PolarHBondContact O-N 3.31Å
520T25.9Very low29.2Very low136 Ų136137.2 Ų137.283%0.83479%0.787SS**PPolyproline II helixtrans-66.9120.9176.548.90000112.9
521E31.6Very low29Very low163 Ų163134.9 Ų134.976%0.76278%0.783SS**  trans-133.4107.9160.7-71.3-168.1-163.800110.8T519 L523T519-E521 PolarHBondContact O-N 3.31Å; E521-L523 PolarHBondContact O-N 3.34Å
522T28.5Very low29Very low127 Ų127136.3 Ų136.378%0.77979%0.79SS**  trans-87.289.2178.7-52.30000110.1T524T522-T524 PolarHBondContact O-N 2.76Å
523L31.7Very low28.9Very low144 Ų144134.5 Ų134.575%0.75478%0.782SS**  trans-7689176-77.3168.8000111.8E521 T525E521-L523 PolarHBondContact O-N 3.34Å; L523-T525 PolarHBondContact O-N 2.93Å
524T29.8Very low28.8Very low128 Ų128130.5 Ų130.579%0.78578%0.775SS**  trans-72.186170.9-54.90000110.4T522 G526T522-T524 PolarHBondContact O-N 2.76Å; T524-G526 PolarHBondContact O-N 2.82Å
525T32.3Very low28.7Very low126 Ų126133.2 Ų133.277%0.77378%0.776SS**  trans-7292.4177.354.30000111.5L523L523-T525 PolarHBondContact O-N 2.93Å
526G28.2Very low28.8Very low57 Ų57132.8 Ų132.859%0.58877%0.774SS**  trans-59.7164.5158.500000111.7T524 L528T524-G526 PolarHBondContact O-N 2.82Å; G526-L528 PolarHBondContact O-N 2.89Å
527A28.4Very low28.9Very low104 Ų104135.1 Ų135.186%0.8678%0.78SS**  trans-62.3106.8-166.400000114.5
528L30.3Very low29Very low165 Ų165134.2 Ų134.286%0.86478%0.778SS**  trans-90.7100.9160.9-71.3176.1000109.4G526G526-L528 PolarHBondContact O-N 2.89Å
529R26.2Very low29Very low244 Ų244132.8 Ų132.892%0.92178%0.776SS**  trans-80.8118166-80.1-176.5168.4-167.6-3109.5
530T32.3Very low29Very low131 Ų131132.5 Ų132.580%0.80477%0.774SS**  trans-128.4142.616144.80000110.1
531S25.8Very low29.1Very low107 Ų107132 Ų13275%0.74877%0.773SS**  trans-60158.7172.936.60000111.9
532L28.8Very low28.9Very low165 Ų165129.5 Ų129.586%0.86477%0.774SS**  cis-138.6179.618.2-146.658.3000107.3
533A29.6Very low29.2Very low84 Ų84129.7 Ų129.769%0.69477%0.774SS**  cis-159.6-168.51800000114.8
534S25.4Very low29Very low101 Ų101130.2 Ų130.271%0.70678%0.776SS**  trans-48.8155.6167.4-142.40000114.3
535L27.5Very low28.9Very low148 Ų148129.6 Ų129.678%0.77578%0.777SS**  cis-135.3150.732.2-95.590.6000116.1
536T27.8Very low28.9Very low111 Ų111128.7 Ų128.768%0.68177%0.773SS**  trans7.2142.8146.559.50000119.8
537T31.9Very low28.9Very low133 Ų133131.1 Ų131.182%0.81678%0.781SS**  cis-151.2156.846.5-49.40000113.3
538E27.4Very low29.1Very low168 Ų168135.9 Ų135.979%0.78578%0.783SS**  trans-77177.8179.9-46.6-179.1114.300112.5
539V30.3Very low28.8Very low131 Ų131137.2 Ų137.279%0.79479%0.785SS**  -151.2120.467.51690000113.5
540V29Very low29.1Very low110 Ų110133.4 Ų133.467%0.66778%0.781SS**  trans39.1125140.5-172.20000122.3
541P28.8Very low28.9Very low125 Ų125130 Ų13081%0.81277%0.772SS**  trans-114.4157.4152.538.9-29.5000114.3
542S28.1Very low29.1Very low111 Ų111132.4 Ų132.478%0.77678%0.775SS**  trans-165.4161.4166.8-145.90000108.8
543V32.8Very low28.9Very low130 Ų130131.7 Ų131.779%0.78877%0.773SS**  cis-143154.923.8-175.30000110.6
544I29.5Very low28.7Very low155 Ų155131.8 Ų131.880%0.79577%0.773SS**  trans-118.5146.4174.2-63.1165.6000109.8
545S27.4Very low28.7Very low116 Ų116132.7 Ų132.781%0.81178%0.775SS**  trans-167.6159.1154.6-92.10000114.2
546P31.5Very low28.5Very low106 Ų106132.6 Ų132.669%0.68878%0.775SS**  -140.7178.1-129.943.3-26.2000118.6
547S27.3Very low28.4Very low109 Ų109137.3 Ų137.376%0.76279%0.787SS**  trans71133143.371.60000121.9
548K33.5Very low28.2Very low204 Ų204136.4 Ų136.489%0.88779%0.786SS**  trans-156.6126.4132.1-114.8173.8-175.8177.40110.7
549Q24.9Very low28Very low193 Ų193136.2 Ų136.290%0.90279%0.789SS**  trans-111.3136.5175.6-90.2-176.7-35.600111
550I32.3Very low27.7Very low163 Ų163135.5 Ų135.584%0.83679%0.79SS**  trans-148.3134.8154.1-70101.9000102.9
551G27.3Very low27.4Very low61 Ų61133.7 Ų133.763%0.62979%0.794SS**  cis109.8133.52300000108.8
552L30.5Very low27.3Very low156 Ų156132 Ų13282%0.81779%0.791SS**  cis-156.7148.15.1-88.4160.1000110.2
553N23.9Very low27Very low151 Ų151132.9 Ų132.981%0.80779%0.791SS**  trans39.5165.8140.3-63.6-2.6000125
554A26.1Very low26.6Very low85 Ų85132.6 Ų132.670%0.70280%0.795SS**  trans94.890.2164.300000116.3
555T25.6Very low26.3Very low121 Ų121130.2 Ų130.274%0.74279%0.792SS**  71.1129.370.666.80000116.1
556N23.5Very low26.1Very low145 Ų145130.2 Ų130.278%0.77579%0.791SS**  trans67.293.7161.6-57.6-14.5000118.3
557F26Very low25.8Very low211 Ų211135.6 Ų135.693%0.92580%0.804SS**  trans-143.793.6142.8-95-72.2000111.1
558S25.7Very low25.7Very low114 Ų114136.5 Ų136.580%0.79780%0.8SS**  trans-89.2128.7147.7-66.80000107.1
559L24Very low25.3Very low163 Ų163133 Ų13385%0.85380%0.798SS**  trans-169.8139144.2-108.4163.5000112.9
560S23.6Very low25.3Very low116 Ų116127.5 Ų127.581%0.81178%0.781SS**  trans-66.6147.6173.4-39.40000112.9
561G22.9Very low25Very low73 Ų73128.4 Ų128.475%0.75378%0.782SS**  trans118.3110.5149.700000117.4
562A26.3Very low24.9Very low90 Ų90131.8 Ų131.874%0.74479%0.79SS**  trans177.659.3156.500000109.6
563T23.6Very low24.8Very low128 Ų128130.8 Ų130.879%0.78579%0.786SS**  41.9116.695.462.80000116.5
564S23.5Very low24.9Very low124 Ų124130.8 Ų130.887%0.86779%0.785SS**  trans69.8146.917279.10000116.6
565S24.1Very low24.9Very low105 Ų105130.9 Ų130.973%0.73479%0.786SS**  cis-136.815015.457.20000115
566C22.7Very low25.1Very low116 Ų116128.7 Ų128.778%0.78478%0.78SS**  trans23.4105.6153.8-55.60000120.7
567F25Very low25.2Very low219 Ų219128 Ų12896%0.96178%0.776SS**  -143.4145.6123.6-99.4-74.8000109.6
568N25.4Very low25.3Very low129 Ų129124.8 Ų124.869%0.6977%0.768SS**  trans-111.1112-160.1-17810.9000112.9S570N568-S570 PolarHBondContact O-N 3.35Å
569P25.2Very low25.4Very low129 Ų129125.2 Ų125.284%0.83877%0.766SS**  trans-90.268.2177.836.7-34.3000111.9
570S24.3Very low25.7Very low79 Ų79122 Ų12255%0.55275%0.752SS**  trans-95.4135.8174.160.50000112.4N568N568-S570 PolarHBondContact O-N 3.35Å
571Q26.6Very low26Very low182 Ų182125 Ų12585%0.8575%0.754SS**SBendtrans67.570168.2-53.8-1776.600117.9
572T25.4Very low26.3Very low131 Ų131129.7 Ų129.780%0.80476%0.756SS**SBendtrans-164.9139.8131.27.90000113.4
573N27.6Very low26.3Very low135 Ų135132.6 Ų132.672%0.72276%0.759SS**  trans56.951.1154.9-58.7-22.2000119.6A575 A576N573-A575 PolarHBondContact O-N 2.8Å; N573-A576 PolarHBondContact O-N 2.92Å
574L25.4Very low26.5Very low151 Ų151132.3 Ų132.379%0.79176%0.762SS**G310 helixtrans-60.2-10.1165.5-120.3163.4000114.4A576L574-A576 VanDerWaalsContact C-N 3.34Å; L574-A576 PolarHBondContact O-N 2.91Å
575A27.1Very low27Very low87 Ų87130.5 Ų130.572%0.71975%0.746SS**G310 helixtrans-72.4-17.9-179.300000114.9N573 L577N573-A575 PolarHBondContact O-N 2.8Å; A575-L577 PolarHBondContact O-N 3.09Å
576A28.6Very low27.3Very low76 Ų76130.7 Ų130.763%0.62874%0.738SS**G310 helixtrans-78.3-14.8-173.700000114.8N573 L574N573-A576 PolarHBondContact O-N 2.92Å; L574-A576 VanDerWaalsContact C-N 3.34Å; L574-A576 PolarHBondContact O-N 2.91Å
577L26.9Very low27.9Very low130 Ų130129.6 Ų129.668%0.68173%0.73SS**SBendtrans-91.7-21-170.2-89.8157.3000115A575 V579A575-L577 PolarHBondContact O-N 3.09Å; L577-V579 VanDerWaalsContact C-N 3.3Å; L577-V579 PolarHBondContact O-N 3.16Å
578N27Very low28.4Very low144 Ų144124.9 Ų124.977%0.7771%0.714SS**THydrogen-bonded Turntrans-82.53.5-174.3-800.9000115.3
579V28.4Very low28.9Very low123 Ų123124.7 Ų124.775%0.74571%0.708SS**THydrogen-bonded Turntrans-93-12.3179.6-175.10000112.3L577 Q581L577-V579 VanDerWaalsContact C-N 3.3Å; L577-V579 PolarHBondContact O-N 3.16Å; V579-Q581 PolarHBondContact O-N 3.06Å
580V30.2Very low29.4Very low94 Ų94124 Ų12457%0.5770%0.695SS**THydrogen-bonded Turntrans-90.93.1-168.7-165.70000113.4Q582V580-Q582 PolarHBondContact O-N 3.14Å
581Q29.3Very low30.1Very low180 Ų180126.9 Ų126.984%0.84170%0.699SS**THydrogen-bonded Turntrans-84.4-3.3-175.4-156.2170.33.700114.7V579V579-Q581 PolarHBondContact O-N 3.06Å
582Q29.1Very low30.6Very low171 Ų171122.3 Ų122.380%0.79968%0.678SS**SBendtrans-136.378.3177-69.7-171.4-4.600112.4V580V580-Q582 PolarHBondContact O-N 3.14Å
583N27Very low31.3Very low152 Ų152120.4 Ų120.481%0.81366%0.662SS**SBendtrans174.2156.4136.1-90-44.5000109.9V585N583-V585 PolarHBondContact O-N 2.88Å; N583-V585 VanDerWaalsContact O-N 3.09Å
584S27.1Very low32.1Very low121 Ų121118.8 Ų118.885%0.84665%0.653SS**  trans-63.8107.5-17437.10000112.8N586S584-N586 PolarHBondContact O-N 3.11Å
585V34Very low32.7Very low87 Ų87112.9 Ų112.953%0.52763%0.629SS.*  trans-72.2111.7-179.7-126.30000110.7N583 M590N583-V585 PolarHBondContact O-N 2.88Å; N583-V585 VanDerWaalsContact O-N 3.09Å; V585-M590 HydrophobicContact CG1-CG 4.34Å
586N31.3Very low33.4Very low108 Ų108112.5 Ų112.558%0.57861%0.614SS**  trans-71.5121.2172.5-165.5-12.4000108.6S584 L588 F589S584-N586 PolarHBondContact O-N 3.11Å; N586-L588 VanDerWaalsContact C-N 3.26Å; N586-L588 PolarHBondContact O-N 2.81Å; N586-L588 VanDerWaalsContact O-N 3.11Å; N586-F589 WeakPolarHBondContact O-CB 3.33Å; N586-F589 PolarHBondContact O-N 3.44Å
587P34.1Very low33.7Very low94 Ų94111.4 Ų111.461%0.6160%0.602SS**Hα-helixtrans-58-33.1-16518-32.4000114.5F589 M590 E591P587-F589 PolarHBondContact O-N 3.41Å; P587-F589 VanDerWaalsContact O-N 3.15Å; P587-M590 PolarHBondContact O-N 3.29Å; P587-E591 PolarHBondContact O-N 2.99Å
588L36.6Very low34.3Very low120 Ų120110.6 Ų110.663%0.62859%0.594SS**Hα-helixtrans-52.2-34173.2-80.6162.8000113.4N586 Q592N586-L588 VanDerWaalsContact C-N 3.26Å; N586-L588 PolarHBondContact O-N 2.81Å; N586-L588 VanDerWaalsContact O-N 3.11Å; L588-Q592 VanDerWaalsContact O-CB 3.26Å; L588-Q592 WeakPolarHBondContact O-CB 3.43Å; L588-Q592 PolarHBondContact O-N 2.86Å
589F36.3Very low34.9Very low125 Ų125108.4 Ų108.455%0.54858%0.581SS.*Hα-helixtrans-70.3-33.4-179.8-161.1-99.7000112N586 P587 L593N586-F589 WeakPolarHBondContact O-CB 3.33Å; N586-F589 PolarHBondContact O-N 3.44Å; P587-F589 PolarHBondContact O-N 3.41Å; P587-F589 VanDerWaalsContact O-N 3.15Å; F589-L593 HydrophobicContact CE1-CD1 4.47Å; F589-L593 WeakPolarHBondContact O-CB 3.42Å; F589-L593 PolarHBondContact O-N 2.9Å
590M34.7Very low35.4Very low114 Ų114110.4 Ų110.456%0.56258%0.575SS**Hα-helixtrans-72.1-42175.6-76.8-67.5-69.500111.8V585 P587 Q592 L593 L594V585-M590 HydrophobicContact CG1-CG 4.34Å; P587-M590 PolarHBondContact O-N 3.29Å; M590-Q592 VanDerWaalsContact C-N 3.35Å; M590-L593 PolarHBondContact O-N 3.48Å; M590-L594 VanDerWaalsContact O-CB 3.24Å; M590-L594 WeakPolarHBondContact O-CB 3.42Å; M590-L594 PolarHBondContact O-N 3.02Å
591E39.9Very low36Very low139 Ų139113.2 Ų113.265%0.6558%0.581SS**Hα-helixtrans-62.4-42.2172.9-70.5-168.7125.300111.7P587 L594 G595P587-E591 PolarHBondContact O-N 2.99Å; E591-L594 PolarHBondContact O-N 3.31Å; E591-G595 PolarHBondContact O-N 3.38Å
592Q37.4Very low36.7Very low87 Ų87110.8 Ų110.841%0.40757%0.573SS.*Hα-helixtrans-66.6-40.8178.9-161.8170.944.400111.8L588 M590 G595 I596L588-Q592 VanDerWaalsContact O-CB 3.26Å; L588-Q592 WeakPolarHBondContact O-CB 3.43Å; L588-Q592 PolarHBondContact O-N 2.86Å; M590-Q592 VanDerWaalsContact C-N 3.35Å; Q592-G595 PolarHBondContact O-N 2.88Å; Q592-I596 HydrophobicContact CG-CD1 4.18Å; Q592-I596 WeakPolarHBondContact O-CB 3.46Å; Q592-I596 WeakPolarHBondContact O-CD1 3.4Å; Q592-I596 WeakPolarHBondContact O-CG1 3.45Å; Q592-I596 PolarHBondContact O-N 3.32Å
593L39.2Very low37.2Very low90 Ų90109.8 Ų109.847%0.47157%0.568SS.*Hα-helixtrans-66.2-38174.6-149.978.6000112F589 M590 S597F589-L593 HydrophobicContact CE1-CD1 4.47Å; F589-L593 WeakPolarHBondContact O-CB 3.42Å; F589-L593 PolarHBondContact O-N 2.9Å; M590-L593 PolarHBondContact O-N 3.48Å; L593-S597 WeakPolarHBondContact O-CB 3.2Å; L593-S597 PolarHBondContact O-N 3.5Å; L593-S597 PolarHBondContact O-OG 3.45Å
594L44.3Very low37.7Very low102 Ų102109.8 Ų109.853%0.53456%0.563SS.*Hα-helixtrans-67.7-44.9176.3-17661.2000111.4M590 E591 S597 Q598M590-L594 VanDerWaalsContact O-CB 3.24Å; M590-L594 WeakPolarHBondContact O-CB 3.42Å; M590-L594 PolarHBondContact O-N 3.02Å; E591-L594 PolarHBondContact O-N 3.31Å; L594-S597 WeakPolarHBondContact O-CB 3.37Å; L594-S597 PolarHBondContact O-N 3.37Å; L594-S597 VanDerWaalsContact O-N 3.16Å; L594-Q598 WeakPolarHBondContact O-CG 3.24Å; L594-Q598 PolarHBondContact O-N 2.85Å
595G38.9Very low38.1Very low27 Ų27109 Ų10928%0.27856%0.555SS.*Hα-helixtrans-63.3-42175.700000113E591 Q592 S597 Q598 M599E591-G595 PolarHBondContact O-N 3.38Å; Q592-G595 PolarHBondContact O-N 2.88Å; G595-S597 VanDerWaalsContact C-N 3.29Å; G595-S597 PolarHBondContact O-N 3.07Å; G595-Q598 PolarHBondContact O-N 3.02Å; G595-M599 WeakPolarHBondContact O-CG 3.43Å; G595-M599 PolarHBondContact O-N 3.36Å
596I41.4Very low38.2Very low78 Ų78113.2 Ų113.240%0.457%0.569SS.*Hα-helixtrans-62.5-37.7172.4-70.6165.7000111Q592 M599 R600Q592-I596 HydrophobicContact CG-CD1 4.18Å; Q592-I596 WeakPolarHBondContact O-CB 3.46Å; Q592-I596 WeakPolarHBondContact O-CD1 3.4Å; Q592-I596 WeakPolarHBondContact O-CG1 3.45Å; Q592-I596 PolarHBondContact O-N 3.32Å; I596-M599 HydrophobicContact CG1-CE 4.39Å; I596-R600 WeakPolarHBondContact O-CB 3.41Å; I596-R600 PolarHBondContact O-N 3.28Å; I596-R600 VanDerWaalsContact O-N 3.07Å
597S34.5Very low38.3Very low54 Ų54117 Ų11738%0.37858%0.583SS.*Hα-helixtrans-70.1-41.4177.9-59.30000112.2L593 L594 G595 R600 H601L593-S597 WeakPolarHBondContact O-CB 3.2Å; L593-S597 PolarHBondContact O-N 3.5Å; L593-S597 PolarHBondContact O-OG 3.45Å; L594-S597 WeakPolarHBondContact O-CB 3.37Å; L594-S597 PolarHBondContact O-N 3.37Å; L594-S597 VanDerWaalsContact O-N 3.16Å; G595-S597 VanDerWaalsContact C-N 3.29Å; G595-S597 PolarHBondContact O-N 3.07Å; S597-R600 PolarHBondContact O-N 2.95Å; S597-H601 PolarHBondContact O-N 2.86Å
598Q40.7Very low38.2Very low112 Ų112120.7 Ų120.752%0.52359%0.592SS.*Hα-helixtrans-63.9-46.4174.3-72.1177.58.400111.6L594 G595 R600 H601 I602L594-Q598 WeakPolarHBondContact O-CG 3.24Å; L594-Q598 PolarHBondContact O-N 2.85Å; G595-Q598 PolarHBondContact O-N 3.02Å; Q598-R600 VanDerWaalsContact C-N 3.31Å; Q598-R600 PolarHBondContact O-N 3.47Å; Q598-H601 PolarHBondContact O-N 2.89Å; Q598-H601 VanDerWaalsContact O-N 3.11Å; Q598-I602 VanDerWaalsContact O-CG1 3.3Å; Q598-I602 WeakPolarHBondContact O-CG1 3.35Å; Q598-I602 PolarHBondContact O-N 3.47Å
599M38.1Very low37.9Very low99 Ų99122 Ų12249%0.48860%0.6SS.*Hα-helixtrans-58.3-41.5174.8-75.9-168.4-69.500112.3G595 I596 H601 I602 Q603G595-M599 WeakPolarHBondContact O-CG 3.43Å; G595-M599 PolarHBondContact O-N 3.36Å; I596-M599 HydrophobicContact CG1-CE 4.39Å; M599-H601 VanDerWaalsContact C-N 3.3Å; M599-H601 PolarHBondContact O-N 3.24Å; M599-I602 PolarHBondContact O-N 2.89Å; M599-Q603 PolarHBondContact O-N 3.37Å
600R39.9Very low37.6Very low165 Ų165124.9 Ų124.962%0.62362%0.615SS**Hα-helixtrans-66-33177.2-149.6-166.5-48.4169.87.5112.5I596 S597 Q598I596-R600 WeakPolarHBondContact O-CB 3.41Å; I596-R600 PolarHBondContact O-N 3.28Å; I596-R600 VanDerWaalsContact O-N 3.07Å; S597-R600 PolarHBondContact O-N 2.95Å; Q598-R600 VanDerWaalsContact C-N 3.31Å; Q598-R600 PolarHBondContact O-N 3.47Å
601H42.4Very low37.2Very low152 Ų152127.1 Ų127.170%0.70463%0.628SS**Hα-helixtrans-73.8-30.6175.9-158.2-42.1000112.5S597 Q598 M599S597-H601 PolarHBondContact O-N 2.86Å; Q598-H601 PolarHBondContact O-N 2.89Å; Q598-H601 VanDerWaalsContact O-N 3.11Å; M599-H601 VanDerWaalsContact C-N 3.3Å; M599-H601 PolarHBondContact O-N 3.24Å
602I44.9Very low36.4Very low129 Ų129126.3 Ų126.366%0.66264%0.638SS**Hα-helixtrans-72.6-31.5177.4-69.3162.5000111.9Q598 M599 H604 P605Q598-I602 VanDerWaalsContact O-CG1 3.3Å; Q598-I602 WeakPolarHBondContact O-CG1 3.35Å; Q598-I602 PolarHBondContact O-N 3.47Å; M599-I602 PolarHBondContact O-N 2.89Å; I602-H604 VanDerWaalsContact C-N 3.35Å; I602-H604 PolarHBondContact O-N 3.2Å; I602-P605 WeakPolarHBondContact O-CD 3.32Å
603Q38.2Very low36Very low150 Ų150127.2 Ų127.270%0.70165%0.654SS**THydrogen-bonded Turntrans-78.9-9.1179.8-75.2-171.2-25.100115.2M599M599-Q603 PolarHBondContact O-N 3.37Å
604H37.4Very low35.2Very low152 Ų152127 Ų12770%0.70467%0.673SS**SBendtrans-93.9-9.9-168.6-119.9-68.8000120.1I602I602-H604 VanDerWaalsContact C-N 3.35Å; I602-H604 PolarHBondContact O-N 3.2Å
605P35.3Very low34.3Very low105 Ų105128.6 Ų128.668%0.68268%0.681SS**SBendtrans-101.250.2-17839.8-35.1000114.7I602I602-P605 WeakPolarHBondContact O-CD 3.32Å
606Q37.6Very low33.5Very low175 Ų175133.7 Ų133.782%0.81871%0.707SS**SBendtrans-1325.7173.8-81-156.5-32.300116.4
607Q33Very low32.8Very low187 Ų187136.1 Ų136.187%0.87473%0.725SS**SBendtrans-99.49-177.5-82.1-83.3-70.100115.1
608H31.7Very low32.2Very low172 Ų172139.1 Ų139.180%0.79674%0.741SS**SBendtrans-130.2-4.1-168.4-128.4-57.9000118.2
609N29.9Very low31.4Very low149 Ų149139.8 Ų139.880%0.79775%0.752SS**  trans-110.747.1-175.3-77.73.2000114
610H29.6Very low30.7Very low185 Ų185140.7 Ų140.786%0.85677%0.766SS**  trans-131.322.1173.5-80.5-59.9000114.4
611L26Very low30.1Very low160 Ų160138.6 Ų138.684%0.83877%0.771SS**SBendtrans-106.6151160.2-83.674.7000109.4
612S24.6Very low29.3Very low123 Ų123139.6 Ų139.686%0.8678%0.776SS**  trans71.372.4171.8-57.50000118.6
613S27.7Very low28.4Very low106 Ų106140.4 Ų140.474%0.74178%0.782SS**  -157.879.2128.7530000112.4I615S613-I615 PolarHBondContact O-N 3.14Å; S613-I615 VanDerWaalsContact O-N 3.15Å
614G23.2Very low27.9Very low86 Ų86140.4 Ų140.489%0.88779%0.785SS**  trans-74.29816500000110.1
615I25.9Very low27.5Very low135 Ų135140.3 Ų140.369%0.69279%0.789SS**  trans-126.2109.6173.6-60.1-178.4000109.2S613 V617S613-I615 PolarHBondContact O-N 3.14Å; S613-I615 VanDerWaalsContact O-N 3.15Å; I615-V617 HydrophobicContact CG2-CG2 4.18Å; I615-V617 PolarHBondContact O-N 2.92Å
616T22.2Very low27.2Very low133 Ų133144.2 Ų144.282%0.81680%0.798SS**  trans-65.7123169.9-41.80000109.4
617V24.9Very low26.7Very low130 Ų130142.4 Ų142.479%0.78879%0.794SS**  trans-116.5105.8173.3-177.40000109.2I615I615-V617 HydrophobicContact CG2-CG2 4.18Å; I615-V617 PolarHBondContact O-N 2.92Å
618T22.3Very low26.4Very low117 Ų117144.1 Ų144.172%0.71879%0.794SS**PPolyproline II helixtrans-75.3155.8179.2-45.30000111.3
619V24.1Very low26.3Very low125 Ų125141.1 Ų141.176%0.75879%0.79SS**PPolyproline II helixtrans-54.2135.2176.8-178.90000111.4
620P24.8Very low26.1Very low119 Ų119142.7 Ų142.777%0.77380%0.797SS**PPolyproline II helixtrans-81.4138.2-176.831.8-35.3000113.1
621T26Very low25.9Very low120 Ų120137.1 Ų137.174%0.73679%0.79SS**  trans-138.2119.1169.2480000112.8
622Q26.7Very low25.9Very low173 Ų173136.4 Ų136.481%0.80879%0.792SS**  trans71110.7148.3-63.6177.2-22.300121.5
623N24.3Very low26Very low146 Ų146138 Ų13878%0.78179%0.79SS**  trans74.2162.6133.3-69.5-22.7000121.8
624I29.3Very low25.8Very low150 Ų150138 Ų13877%0.76980%0.796SS**  trans69.987.8177.8-48.4174000111.7
625I27.9Very low26.1Very low151 Ų151138.7 Ų138.777%0.77479%0.787SS**  58.39471.6-47.9168.7000112.3
626E29.8Very low26Very low187 Ų187141 Ų14187%0.87480%0.795SS**  -175171.1119.8-99.8-172.5-179.300111.6
627N27.8Very low26.2Very low137 Ų137139.7 Ų139.773%0.73379%0.791SS**  trans-86.3152.7-173.5-62.2-71.1000112.9
628Y26.4Very low26.4Very low223 Ų223141.6 Ų141.688%0.87580%0.796SS**  167.9166.1121.5-89.1-54.3000111.4
629P29.2Very low26.6Very low109 Ų109140.8 Ų140.871%0.70880%0.796SS**  trans-125.2167.8-131.143.5-29.9000116.5
630L26.3Very low26.9Very low181 Ų181140 Ų14095%0.94879%0.787SS**  trans41.287.2148.2-133.477.7000117.6
631G25.1Very low27.1Very low69 Ų69139.6 Ų139.671%0.71178%0.784SS**  trans-163147.7168.900000114.4
632V25Very low27.5Very low144 Ų144140.8 Ų140.887%0.87379%0.785SS**  trans57.782.5160.2-164.10000117.3
633L26.3Very low27.8Very low157 Ų157137.8 Ų137.882%0.82278%0.775SS**  trans-168.272.8135.4-109.6160.8000112S635L633-S635 PolarHBondContact O-N 3.34Å
634A25Very low28.1Very low105 Ų105134.1 Ų134.187%0.86876%0.76SS**  trans-92.873.5172.400000110.7
635S28Very low28.1Very low101 Ų101130.9 Ų130.971%0.70675%0.751SS**  trans-74.6136.917134.80000110.9L633 S637L633-S635 PolarHBondContact O-N 3.34Å; S635-S637 PolarHBondContact O-N 2.87Å
636Q25.7Very low28.2Very low183 Ų183130 Ų13086%0.85575%0.747SS**  trans-63.4123.3-161.4-64.2168.6200113.8
637S25.3Very low28.4Very low106 Ų106125 Ų12574%0.74173%0.729SS**  trans-89.6106.4168.548.80000111S635 S639S635-S637 PolarHBondContact O-N 2.87Å; S637-S639 VanDerWaalsContact C-N 3.33Å; S637-S639 PolarHBondContact O-N 2.9Å
638L28.8Very low28.6Very low170 Ų170122.5 Ų122.589%0.8972%0.719SS**  trans-72.690.4165-88.3132.8000109.2N640L638-N640 PolarHBondContact O-N 3.48Å
639S27.8Very low28.9Very low101 Ų101119 Ų11971%0.70671%0.711SS**  trans-70.2120-179.243.40000111.6S637S637-S639 VanDerWaalsContact C-N 3.33Å; S637-S639 PolarHBondContact O-N 2.9Å
640N28.7Very low29Very low108 Ų108123.4 Ų123.458%0.57871%0.714SS**  trans-96.6108.5176.5-161.2-12.8000108.9L638 L642 L643L638-N640 PolarHBondContact O-N 3.48Å; N640-L642 PolarHBondContact O-N 2.93Å; N640-L643 PolarHBondContact O-N 3.47Å
641P30.4Very low29.3Very low110 Ų110120.5 Ų120.571%0.71470%0.698SS**THydrogen-bonded Turntrans-69.8-8.1-157.425.7-35.6000115.8
642L33.7Very low29.7Very low145 Ų145120.7 Ų120.776%0.75969%0.689SS**THydrogen-bonded Turntrans-93.2-7.1-178-70.4167.6000114.7N640N640-L642 PolarHBondContact O-N 2.93Å
643L32.4Very low30Very low111 Ų111119.8 Ų119.858%0.58168%0.679SS**THydrogen-bonded Turntrans-105.3-16-178.9-75.5166.4000114.2N640 S645 L646N640-L643 PolarHBondContact O-N 3.47Å; L643-S645 VanDerWaalsContact C-N 3.26Å; L643-S645 PolarHBondContact O-N 3.38Å; L643-L646 PolarHBondContact O-N 3.23Å
644S30.3Very low30.4Very low69 Ų69118.6 Ų118.648%0.48367%0.673SS.*THydrogen-bonded Turntrans-69.8-14.8-176.1-53.90000115T648S644-T648 WeakPolarHBondContact O-CG2 3.28Å; S644-T648 PolarHBondContact O-OG1 3.22Å
645S29.7Very low30.6Very low82 Ų82124.4 Ų124.457%0.57367%0.672SS**THydrogen-bonded Turntrans-91.3-12.2177.663.30000114.4L643L643-S645 VanDerWaalsContact C-N 3.26Å; L643-S645 PolarHBondContact O-N 3.38Å
646L30.8Very low30.7Very low132 Ų132124.3 Ų124.369%0.69167%0.672SS**THydrogen-bonded Turntrans-97.9-18.6-178.6-81.6156.9000113.2L643L643-L646 PolarHBondContact O-N 3.23Å
647T33.9Very low30.9Very low81 Ų81121.3 Ų121.350%0.49767%0.671SS.*SBendtrans-97.1-17.617952.60000113.4L651T647-L651 PolarHBondContact O-N 2.9Å
648T31.8Very low31.1Very low85 Ų85122.5 Ų122.552%0.52167%0.674SS.*Hα-helixtrans-75.6-34.3-176.125.50000113.4S644 S652S644-T648 WeakPolarHBondContact O-CG2 3.28Å; S644-T648 PolarHBondContact O-OG1 3.22Å; T648-S652 PolarHBondContact O-N 2.94Å; T648-S652 PolarHBondContact O-OG 2.82Å
649E32.7Very low31.3Very low150 Ų150122.9 Ų122.970%0.70167%0.671SS**Hα-helixtrans-74.2-22.8175.7-64-166.6140.500113.8S652 N653E649-S652 PolarHBondContact O-OG 3.2Å; E649-S652 VanDerWaalsContact O-OG 3.06Å; E649-N653 PolarHBondContact O-ND2 3.21Å
650W32Very low31.3Very low202 Ų202126.3 Ų126.377%0.76568%0.676SS**Hα-helixtrans-83.8-33.4179.4-138.570.1000112.2
651L33Very low31.4Very low119 Ų119127.3 Ų127.362%0.62369%0.691SS**Hα-helixtrans-83.5-20.6178.7-69171.4000113.7T647T647-L651 PolarHBondContact O-N 2.9Å
652S32.3Very low31.4Very low73 Ų73128.1 Ų128.151%0.5169%0.694SS.*Hα-helixtrans-69.8-34175.457.90000112.9T648 E649 L654T648-S652 PolarHBondContact O-N 2.94Å; T648-S652 PolarHBondContact O-OG 2.82Å; E649-S652 PolarHBondContact O-OG 3.2Å; E649-S652 VanDerWaalsContact O-OG 3.06Å; S652-L654 VanDerWaalsContact C-N 3.29Å; S652-L654 PolarHBondContact O-N 3.16Å
653N31.9Very low31.3Very low125 Ų125127.4 Ų127.467%0.66870%0.696SS**THydrogen-bonded Turntrans-77.3-5.3-176.9-78-65.4000115E649E649-N653 PolarHBondContact O-ND2 3.21Å
654L33.8Very low31.2Very low132 Ų132127 Ų12769%0.69170%0.702SS**THydrogen-bonded Turntrans-102.95.5-179.6-84.4158.3000113.9S652S652-L654 VanDerWaalsContact C-N 3.29Å; S652-L654 PolarHBondContact O-N 3.16Å
655R30.3Very low31.1Very low227 Ų227128.7 Ų128.786%0.85771%0.714SS**SBendtrans-115.218.3-170.2-144177-171.1-177.22.8115.2
656S29.7Very low31.3Very low100 Ų100131.7 Ų131.770%0.69973%0.73SS**  trans-117.539.2-167.246.50000114.3
657S30.3Very low31.4Very low119 Ų119133.2 Ų133.283%0.83274%0.737SS**  trans-145.556.3175.7-159.30000113.7
658T29.4Very low31.5Very low132 Ų132134 Ų13481%0.8174%0.744SS**  trans-141.584172550000112.3
659Q32.4Very low31.3Very low178 Ų178138.2 Ų138.283%0.83276%0.758SS**  trans-125.8108155.5-80.5-174.6-46.700107
660Q28.3Very low31Very low173 Ų173139.2 Ų139.281%0.80877%0.767SS**  63.693.794.8-76.7-170-30.900114.7
661S30.4Very low30.9Very low128 Ų128133 Ų13390%0.89575%0.752SS**  trans-153.5146.3132.5-81.30000109.3
662T30.7Very low31Very low128 Ų128134 Ų13479%0.78576%0.757SS**  trans-107.7138.9-172.5450000110.8
663T32.2Very low31.3Very low129 Ų129135.7 Ų135.779%0.79176%0.76SS**  164.5143.811537.70000113.9
664S28.5Very low31.6Very low102 Ų102133.4 Ų133.471%0.71375%0.754SS**  trans56.1108.2142.5-550000122.4
665S28.8Very low31.8Very low105 Ų105131.5 Ų131.573%0.73475%0.748SS**  trans57.7107.6131.463.30000121.1
666T35.2Very low32.3Very low146 Ų146125.8 Ų125.890%0.89673%0.733SS**  -161.5160100.5190000111.1
667L31.7Very low32.9Very low163 Ų163128 Ų12885%0.85373%0.732SS**  trans-115.4165.8178.9-75.4162.5000108.9
668P35.5Very low33.4Very low98 Ų98127.3 Ų127.364%0.63672%0.719SS**  -137.7123.7-50.635.4-18.2000111.9L670P668-L670 PolarHBondContact O-N 3.17Å
669E27.8Very low34.1Very low174 Ų174126.4 Ų126.481%0.81371%0.709SS**  trans-86.3107.6178.3-155.6172.7-170.200112.5T671E669-T671 HydrophobicContact CG-CG2 4.03Å; E669-T671 PolarHBondContact O-N 2.96Å
670L27.6Very low35Very low170 Ų170122.9 Ų122.989%0.8970%0.696SS**  trans-85.372-178.4-80.2162.5000111.8P668P668-L670 PolarHBondContact O-N 3.17Å
671T29.4Very low35.9Very low73 Ų73117.2 Ų117.245%0.44868%0.678SS.*  trans-128.198.4-174.142.20000114.3E669 N673E669-T671 HydrophobicContact CG-CG2 4.03Å; E669-T671 PolarHBondContact O-N 2.96Å; T671-N673 VanDerWaalsContact C-N 3.27Å; T671-N673 PolarHBondContact O-N 3.14Å
672L35.9Very low37.1Very low140 Ų140115 Ų11573%0.73366%0.659SS**SBendtrans51.5-29162.7-80.891.1000122S674 V675L672-S674 VanDerWaalsContact C-N 3.32Å; L672-S674 PolarHBondContact O-N 2.64Å; L672-V675 PolarHBondContact O-N 3Å
673N36.7Very low38.4Very low108 Ų108111.5 Ų111.558%0.57864%0.64SS**Hα-helixtrans-64.2-31-164.3-69.4-28.6000114.5T671 V675 I676 E677T671-N673 VanDerWaalsContact C-N 3.27Å; T671-N673 PolarHBondContact O-N 3.14Å; N673-V675 PolarHBondContact O-N 2.85Å; N673-I676 PolarHBondContact O-N 3.35Å; N673-I676 VanDerWaalsContact O-N 3.08Å; N673-E677 PolarHBondContact O-N 3.46Å
674S39.5Very low40Very low77 Ų77109.2 Ų109.254%0.53863%0.626SS.*Hα-helixtrans-63.9-22.9-179.959.50000114.1L672 N678L672-S674 VanDerWaalsContact C-N 3.32Å; L672-S674 PolarHBondContact O-N 2.64Å; S674-N678 WeakPolarHBondContact O-CB 3.38Å; S674-N678 PolarHBondContact O-N 3.04Å; S674-N678 VanDerWaalsContact O-N 3.13Å; S674-N678 PolarHBondContact O-ND2 3.07Å
675V37.4Very low41.8Very low92 Ų92110 Ų11056%0.55862%0.622SS**Hα-helixtrans-75.1-40.2174.1-179.20000110.4L672 N673 N678 L679L672-V675 PolarHBondContact O-N 3Å; N673-V675 PolarHBondContact O-N 2.85Å; V675-N678 PolarHBondContact O-N 3.35Å; V675-L679 HydrophobicContact CG1-CD1 4.06Å; V675-L679 WeakPolarHBondContact O-CB 3.34Å; V675-L679 VanDerWaalsContact O-CG 3.28Å; V675-L679 WeakPolarHBondContact O-CG 3.37Å; V675-L679 PolarHBondContact O-N 2.84Å
676I40.5Very low44Very low107 Ų107111.6 Ų111.655%0.54962%0.617SS.*Hα-helixtrans-67.8-42178.6-59.7173.9000110.1N673 L679 N680N673-I676 PolarHBondContact O-N 3.35Å; N673-I676 VanDerWaalsContact O-N 3.08Å; I676-L679 PolarHBondContact O-N 3.13Å; I676-N680 WeakPolarHBondContact O-CB 3.37Å; I676-N680 PolarHBondContact O-N 3.18Å
677E42Very low45.9Very low145 Ų145110.1 Ų110.168%0.67860%0.6SS**Hα-helixtrans-66.1-39.7175.3-69.2-172.1145.200112.7N673 N680 A681N673-E677 PolarHBondContact O-N 3.46Å; E677-N680 PolarHBondContact O-N 2.98Å; E677-A681 WeakPolarHBondContact O-CB 3.29Å; E677-A681 PolarHBondContact O-N 3.42Å
678N42.5Very low47.8Very low106 Ų106110 Ų11057%0.56759%0.59SS**Hα-helixtrans-67.6-37.6174.5-85.8-72.9000112.9S674 V675 N680 A681 T682S674-N678 WeakPolarHBondContact O-CB 3.38Å; S674-N678 PolarHBondContact O-N 3.04Å; S674-N678 VanDerWaalsContact O-N 3.13Å; S674-N678 PolarHBondContact O-ND2 3.07Å; V675-N678 PolarHBondContact O-N 3.35Å; N678-N680 VanDerWaalsContact C-N 3.31Å; N678-N680 PolarHBondContact O-N 3.03Å; N678-A681 PolarHBondContact O-N 2.91Å; N678-T682 WeakPolarHBondContact O-CG2 3.44Å; N678-T682 PolarHBondContact O-N 3.1Å; N678-T682 PolarHBondContact O-OG1 3.09Å
679L44Very low49.8Very low112 Ų112112.1 Ų112.159%0.58659%0.591SS**Hα-helixtrans-62.4-39.1172.6-75.5167.3000111.6V675 I676 T682 S683V675-L679 HydrophobicContact CG1-CD1 4.06Å; V675-L679 WeakPolarHBondContact O-CB 3.34Å; V675-L679 VanDerWaalsContact O-CG 3.28Å; V675-L679 WeakPolarHBondContact O-CG 3.37Å; V675-L679 PolarHBondContact O-N 2.84Å; I676-L679 PolarHBondContact O-N 3.13Å; L679-T682 WeakPolarHBondContact CA-OG1 3.43Å; L679-T682 PolarHBondContact O-OG1 3.46Å; L679-T682 VanDerWaalsContact O-OG1 3.05Å; L679-S683 PolarHBondContact O-N 2.99Å
680N51.2Low52.1Low105 Ų105110.3 Ų110.356%0.56158%0.582SS**Hα-helixtrans-72.7-37.8176.2-148.616.4000112.2I676 E677 N678 S683 V684I676-N680 WeakPolarHBondContact O-CB 3.37Å; I676-N680 PolarHBondContact O-N 3.18Å; E677-N680 PolarHBondContact O-N 2.98Å; N678-N680 VanDerWaalsContact C-N 3.31Å; N678-N680 PolarHBondContact O-N 3.03Å; N680-S683 PolarHBondContact O-N 3.27Å; N680-S683 PolarHBondContact O-OG 3.32Å; N680-V684 WeakPolarHBondContact O-CB 3.3Å; N680-V684 VanDerWaalsContact O-CG2 3.29Å; N680-V684 WeakPolarHBondContact O-CG2 3.24Å; N680-V684 PolarHBondContact O-N 3.24Å
681A47.1Very low54.4Low53 Ų53110.8 Ų110.844%0.43857%0.573SS.*Hα-helixtrans-64.5-41.7175.100000112.2E677 N678 V684 L685E677-A681 WeakPolarHBondContact O-CB 3.29Å; E677-A681 PolarHBondContact O-N 3.42Å; N678-A681 PolarHBondContact O-N 2.91Å; A681-V684 PolarHBondContact O-N 2.94Å; A681-L685 WeakPolarHBondContact O-CB 3.44Å; A681-L685 PolarHBondContact O-N 3.1Å
682T54.4Low56.7Low82 Ų82112 Ų11250%0.50357%0.573SS.*Hα-helixtrans-69.1-37.3176.151.10000112.8N678 L679 L685 Q686N678-T682 WeakPolarHBondContact O-CG2 3.44Å; N678-T682 PolarHBondContact O-N 3.1Å; N678-T682 PolarHBondContact O-OG1 3.09Å; L679-T682 WeakPolarHBondContact CA-OG1 3.43Å; L679-T682 PolarHBondContact O-OG1 3.46Å; L679-T682 VanDerWaalsContact O-OG1 3.05Å; T682-L685 PolarHBondContact O-N 3.46Å; T682-Q686 WeakPolarHBondContact O-CB 3.39Å; T682-Q686 PolarHBondContact O-N 3.44Å
683S58.8Low58.4Low54 Ų54111.5 Ų111.538%0.37857%0.57SS.*Hα-helixtrans-65.5-40.3174.376.40000112.1L679 N680 Q686 Q687L679-S683 PolarHBondContact O-N 2.99Å; N680-S683 PolarHBondContact O-N 3.27Å; N680-S683 PolarHBondContact O-OG 3.32Å; S683-Q686 PolarHBondContact O-N 3.44Å; S683-Q687 WeakPolarHBondContact O-CB 3.46Å; S683-Q687 PolarHBondContact O-N 2.97Å
684V64.5Low60.3Low82 Ų82112.3 Ų112.350%0.49757%0.574SS.*Hα-helixtrans-64.9-41.1174.1170.30000111.6N680 A681 Q687 Y688N680-V684 WeakPolarHBondContact O-CB 3.3Å; N680-V684 VanDerWaalsContact O-CG2 3.29Å; N680-V684 WeakPolarHBondContact O-CG2 3.24Å; N680-V684 PolarHBondContact O-N 3.24Å; A681-V684 PolarHBondContact O-N 2.94Å; V684-Q687 PolarHBondContact O-N 2.99Å; V684-Y688 WeakPolarHBondContact O-CB 3.35Å; V684-Y688 PolarHBondContact O-N 2.95Å
685L68.2Low61.9Low118 Ų118113.2 Ų113.262%0.61858%0.576SS**Hα-helixtrans-62.8-43.7174.4-110.6165.6000112A681 T682 Y688 Q689A681-L685 WeakPolarHBondContact O-CB 3.44Å; A681-L685 PolarHBondContact O-N 3.1Å; T682-L685 PolarHBondContact O-N 3.46Å; L685-Y688 PolarHBondContact O-N 3.08Å; L685-Q689 WeakPolarHBondContact O-CB 3.44Å; L685-Q689 PolarHBondContact O-N 3.14Å
686Q73.3Confident63.7Low139 Ų139113.2 Ų113.265%0.6557%0.573SS**Hα-helixtrans-63.7-42.8176.4-168177.933.800111.4T682 S683 Q689 Q690T682-Q686 WeakPolarHBondContact O-CB 3.39Å; T682-Q686 PolarHBondContact O-N 3.44Å; S683-Q686 PolarHBondContact O-N 3.44Å; Q686-Q689 PolarHBondContact O-N 2.86Å; Q686-Q690 WeakPolarHBondContact O-CB 3.47Å; Q686-Q690 PolarHBondContact O-N 3.46Å
687Q75.1Confident65.1Low114 Ų114110.7 Ų110.753%0.53357%0.568SS.*Hα-helixtrans-64.4-39.2175.8-167.8-175.14400112S683 V684 R691S683-Q687 WeakPolarHBondContact O-CB 3.46Å; S683-Q687 PolarHBondContact O-N 2.97Å; V684-Q687 PolarHBondContact O-N 2.99Å; Q687-R691 WeakPolarHBondContact O-CB 3.44Å; Q687-R691 PolarHBondContact O-N 3.44Å
688Y72.6Confident66.6Low162 Ų162106.6 Ų106.664%0.63556%0.558SS**Hα-helixtrans-64.3-46.9175.1-176.2-94000111.5V684 L685 Q690 R691 H692V684-Y688 WeakPolarHBondContact O-CB 3.35Å; V684-Y688 PolarHBondContact O-N 2.95Å; L685-Y688 PolarHBondContact O-N 3.08Å; Y688-Q690 PolarHBondContact O-N 3.26Å; Y688-R691 PolarHBondContact O-N 3.03Å; Y688-H692 PolarHBondContact O-N 3.06Å
689Q76.7Confident68.3Low141 Ų141106.7 Ų106.766%0.65956%0.559SS**Hα-helixtrans-62.3-42.2177.3-168.2176.613.300111.7L685 Q686 H692 L693L685-Q689 WeakPolarHBondContact O-CB 3.44Å; L685-Q689 PolarHBondContact O-N 3.14Å; Q686-Q689 PolarHBondContact O-N 2.86Å; Q689-H692 PolarHBondContact O-N 3.42Å; Q689-L693 PolarHBondContact O-N 2.8Å
690Q76.7Confident69.8Low136 Ų136108 Ų10864%0.63656%0.562SS**Hα-helixtrans-64.6-42.1176.3-164.8179.639.700111.8Q686 Y688 L693 L694Q686-Q690 WeakPolarHBondContact O-CB 3.47Å; Q686-Q690 PolarHBondContact O-N 3.46Å; Y688-Q690 PolarHBondContact O-N 3.26Å; Q690-L693 PolarHBondContact O-N 2.86Å; Q690-L694 WeakPolarHBondContact O-CB 3.46Å; Q690-L694 PolarHBondContact O-N 3.45Å; Q690-L694 VanDerWaalsContact O-N 3.12Å
691R75.8Confident71Confident181 Ų181109.5 Ų109.568%0.68356%0.563SS**Hα-helixtrans-62.3-43.2172.6-93-174.5163.2168.5-3.3112.4Q687 Y688 L693 L694 T695Q687-R691 WeakPolarHBondContact O-CB 3.44Å; Q687-R691 PolarHBondContact O-N 3.44Å; Y688-R691 PolarHBondContact O-N 3.03Å; R691-L693 VanDerWaalsContact C-N 3.33Å; R691-L693 PolarHBondContact O-N 3.02Å; R691-L694 PolarHBondContact O-N 2.98Å; R691-T695 PolarHBondContact O-N 2.96Å; R691-T695 PolarHBondContact O-OG1 3.23Å
692H76.8Confident72.4Confident99 Ų99113 Ų11346%0.45857%0.57SS.*Hα-helixtrans-62.5-41.4179.6-166.5-18.5000111.6Y688 Q689 L694 T695 L696Y688-H692 PolarHBondContact O-N 3.06Å; Q689-H692 PolarHBondContact O-N 3.42Å; H692-L694 VanDerWaalsContact C-N 3.33Å; H692-L694 PolarHBondContact O-N 3.42Å; H692-T695 PolarHBondContact O-N 3.5Å; H692-L696 WeakPolarHBondContact O-CG 3.48Å; H692-L696 PolarHBondContact O-N 3.5Å; H692-L696 VanDerWaalsContact O-N 3.07Å
693L73.4Confident73.3Confident128 Ų128114.4 Ų114.467%0.6757%0.571SS**Hα-helixtrans-61.6-41.8175.2-162.977.1000111.8Q689 Q690 R691 L696 A697Q689-L693 PolarHBondContact O-N 2.8Å; Q690-L693 PolarHBondContact O-N 2.86Å; R691-L693 VanDerWaalsContact C-N 3.33Å; R691-L693 PolarHBondContact O-N 3.02Å; L693-L696 PolarHBondContact O-N 3.5Å; L693-A697 PolarHBondContact O-N 3.09Å
694L76Confident73.9Confident125 Ų125118.4 Ų118.465%0.65458%0.584SS**Hα-helixtrans-68.4-38.2-179-146140.8000112Q690 R691 H692 A697 A698Q690-L694 WeakPolarHBondContact O-CB 3.46Å; Q690-L694 PolarHBondContact O-N 3.45Å; Q690-L694 VanDerWaalsContact O-N 3.12Å; R691-L694 PolarHBondContact O-N 2.98Å; H692-L694 VanDerWaalsContact C-N 3.33Å; H692-L694 PolarHBondContact O-N 3.42Å; L694-A697 PolarHBondContact O-N 3.27Å; L694-A698 WeakPolarHBondContact O-CB 3.39Å; L694-A698 PolarHBondContact O-N 3Å
695T73.8Confident74.3Confident96 Ų96118.9 Ų118.959%0.58958%0.583SS**Hα-helixtrans-64.9-40.6172.4-59.20000112.2R691 H692 A698 L699R691-T695 PolarHBondContact O-N 2.96Å; R691-T695 PolarHBondContact O-OG1 3.23Å; H692-T695 PolarHBondContact O-N 3.5Å; T695-A698 PolarHBondContact O-N 3.22Å; T695-L699 PolarHBondContact O-N 2.94Å
696L73.4Confident74.5Confident93 Ų93118.6 Ų118.649%0.48758%0.579SS.*Hα-helixtrans-63.9-44.2175.9-73.7167.5000111.7H692 L693 A698 L699 Q700H692-L696 WeakPolarHBondContact O-CG 3.48Å; H692-L696 PolarHBondContact O-N 3.5Å; H692-L696 VanDerWaalsContact O-N 3.07Å; L693-L696 PolarHBondContact O-N 3.5Å; L696-A698 VanDerWaalsContact C-N 3.33Å; L696-A698 PolarHBondContact O-N 3.09Å; L696-L699 PolarHBondContact O-N 2.96Å; L696-Q700 PolarHBondContact O-N 3.38Å
697A70.6Confident73.9Confident54 Ų54114.3 Ų114.345%0.44657%0.567SS.*Hα-helixtrans-62.7-38.3175.500000112.5L693 L694 K701L693-A697 PolarHBondContact O-N 3.09Å; L694-A697 PolarHBondContact O-N 3.27Å; A697-K701 WeakPolarHBondContact O-CB 3.42Å; A697-K701 PolarHBondContact O-N 3.06Å
698A74.3Confident73.4Confident58 Ų58113.4 Ų113.448%0.47957%0.566SS.*Hα-helixtrans-64.6-42.7174.500000112.3L694 T695 L696 K701 H702L694-A698 WeakPolarHBondContact O-CB 3.39Å; L694-A698 PolarHBondContact O-N 3Å; T695-A698 PolarHBondContact O-N 3.22Å; L696-A698 VanDerWaalsContact C-N 3.33Å; L696-A698 PolarHBondContact O-N 3.09Å; A698-K701 PolarHBondContact O-N 3.46Å; A698-H702 PolarHBondContact O-N 3.47Å
699L78.5Confident72.9Confident109 Ų109107.6 Ų107.657%0.57155%0.551SS**Hα-helixtrans-62.6-44.6176.2-165.981.6000111.7T695 L696 H702 Q703T695-L699 PolarHBondContact O-N 2.94Å; L696-L699 PolarHBondContact O-N 2.96Å; L699-H702 WeakPolarHBondContact O-CB 3.46Å; L699-H702 PolarHBondContact O-N 3.31Å; L699-Q703 PolarHBondContact O-N 3.49Å
700Q75.5Confident72.2Confident139 Ų139104.4 Ų104.465%0.6554%0.539SS*.Hα-helixtrans-61.3-44.4176.7-173.1-179.410.100111.6L696 H702 Q703 Q704L696-Q700 PolarHBondContact O-N 3.38Å; Q700-H702 VanDerWaalsContact C-N 3.31Å; Q700-H702 PolarHBondContact O-N 3.19Å; Q700-Q703 PolarHBondContact O-N 2.56Å; Q700-Q704 PolarHBondContact O-N 2.85Å
701K75.1Confident71.7Confident137 Ų137103 Ų10360%0.59653%0.534SS*.Hα-helixtrans-62.7-37.1175.4-172.1177.5-179.3-179.30112.1A697 A698 Q704 N705A697-K701 WeakPolarHBondContact O-CB 3.42Å; A697-K701 PolarHBondContact O-N 3.06Å; A698-K701 PolarHBondContact O-N 3.46Å; K701-Q704 PolarHBondContact O-N 3.22Å; K701-N705 PolarHBondContact O-N 3.03Å
702H77.2Confident71.4Confident125 Ų12599.8 Ų99.858%0.57953%0.527SS*.Hα-helixtrans-65.2-47.7176.1-172.578000111.9A698 L699 Q700 Q704 N705 Q706A698-H702 PolarHBondContact O-N 3.47Å; L699-H702 WeakPolarHBondContact O-CB 3.46Å; L699-H702 PolarHBondContact O-N 3.31Å; Q700-H702 VanDerWaalsContact C-N 3.31Å; Q700-H702 PolarHBondContact O-N 3.19Å; H702-Q704 VanDerWaalsContact C-N 3.34Å; H702-Q704 PolarHBondContact O-N 3.03Å; H702-N705 PolarHBondContact O-N 3.45Å; H702-Q706 PolarHBondContact O-N 3.29Å
703Q73.3Confident70.8Confident112 Ų112100.1 Ų100.152%0.52353%0.532SS..Hα-helixtrans-60-41.6174-79-165.4-16.500112.5L699 Q700 N705 Q706 A707L699-Q703 PolarHBondContact O-N 3.49Å; Q700-Q703 PolarHBondContact O-N 2.56Å; Q703-N705 VanDerWaalsContact C-N 3.34Å; Q703-N705 PolarHBondContact O-N 3.28Å; Q703-Q706 PolarHBondContact O-N 3.03Å; Q703-A707 WeakPolarHBondContact O-CB 3.34Å; Q703-A707 PolarHBondContact O-N 2.93Å
704Q72.2Confident70.3Confident138 Ų13896.2 Ų96.265%0.64552%0.518SS*.Hα-helixtrans-62.3-41.3178.1-172177.73.600112Q700 K701 H702 L708Q700-Q704 PolarHBondContact O-N 2.85Å; K701-Q704 PolarHBondContact O-N 3.22Å; H702-Q704 VanDerWaalsContact C-N 3.34Å; H702-Q704 PolarHBondContact O-N 3.03Å; Q704-L708 WeakPolarHBondContact O-CB 3.49Å; Q704-L708 PolarHBondContact O-N 3.27Å
705N72.2Confident69.8Low92 Ų9294 Ų9449%0.49251%0.51SS..Hα-helixtrans-66.5-40.5175.5-74.60.7000112.1K701 H702 Q703 L708 A709K701-N705 PolarHBondContact O-N 3.03Å; H702-N705 PolarHBondContact O-N 3.45Å; Q703-N705 VanDerWaalsContact C-N 3.34Å; Q703-N705 PolarHBondContact O-N 3.28Å; N705-L708 PolarHBondContact O-N 2.97Å; N705-A709 PolarHBondContact O-N 2.96Å
706Q71.6Confident69.5Low112 Ų11294.7 Ų94.752%0.52351%0.509SS..Hα-helixtrans-63.5-42.2176.9-168.7179.92400111.8H702 Q703 A709 L710H702-Q706 PolarHBondContact O-N 3.29Å; Q703-Q706 PolarHBondContact O-N 3.03Å; Q706-A709 PolarHBondContact O-N 3.5Å; Q706-L710 WeakPolarHBondContact O-CG 3.45Å; Q706-L710 PolarHBondContact O-N 2.94Å
707A60.2Low69.2Low49 Ų4994.5 Ų94.541%0.40551%0.508SS..Hα-helixtrans-63.2-40.7174.300000112.1Q703 L710 I711Q703-A707 WeakPolarHBondContact O-CB 3.34Å; Q703-A707 PolarHBondContact O-N 2.93Å; A707-L710 PolarHBondContact O-N 3.44Å; A707-I711 WeakPolarHBondContact O-CG1 3.38Å; A707-I711 PolarHBondContact O-N 3.03Å
708L65.5Low69.2Low95 Ų9598 Ų9850%0.49752%0.516SS..Hα-helixtrans-64.1-42.9177-173.464.2000112Q704 N705 L710 I711 Q712Q704-L708 WeakPolarHBondContact O-CB 3.49Å; Q704-L708 PolarHBondContact O-N 3.27Å; N705-L708 PolarHBondContact O-N 2.97Å; L708-L710 PolarHBondContact O-N 3.07Å; L708-I711 PolarHBondContact O-N 3.39Å; L708-Q712 WeakPolarHBondContact O-CG 3.45Å; L708-Q712 PolarHBondContact O-N 3.11Å
709A62.5Low68.9Low41 Ų41100.9 Ų100.934%0.33952%0.519SS..Hα-helixtrans-63.5-39.6176.500000112.4N705 Q706 Q712 N713N705-A709 PolarHBondContact O-N 2.96Å; Q706-A709 PolarHBondContact O-N 3.5Å; A709-Q712 PolarHBondContact O-N 2.91Å; A709-N713 WeakPolarHBondContact O-CB 3.38Å; A709-N713 PolarHBondContact O-N 3.49Å; A709-N713 PolarHBondContact O-ND2 3.17Å
710L62.5Low68.4Low74 Ų74100.9 Ų100.939%0.38752%0.516SS..Hα-helixtrans-62.9-40.1173.6-74170.5000112.2Q706 A707 L708 A714Q706-L710 WeakPolarHBondContact O-CG 3.45Å; Q706-L710 PolarHBondContact O-N 2.94Å; A707-L710 PolarHBondContact O-N 3.44Å; L708-L710 PolarHBondContact O-N 3.07Å; L710-A714 WeakPolarHBondContact O-CB 3.38Å; L710-A714 PolarHBondContact O-N 2.95Å
711I66.4Low67.9Low105 Ų10599.7 Ų99.754%0.53851%0.511SS..Hα-helixtrans-65.4-45175.6-68.3164.1000110.9A707 L708 N713 A714 V715A707-I711 WeakPolarHBondContact O-CG1 3.38Å; A707-I711 PolarHBondContact O-N 3.03Å; L708-I711 PolarHBondContact O-N 3.39Å; I711-N713 PolarHBondContact O-N 3.06Å; I711-A714 PolarHBondContact O-N 3.15Å; I711-V715 HydrophobicContact CG2-CG2 4.49Å; I711-V715 WeakPolarHBondContact O-CG2 3.33Å; I711-V715 PolarHBondContact O-N 3.17Å
712Q68.1Low67.2Low115 Ų115101.9 Ų101.954%0.53752%0.515SS..Hα-helixtrans-60.6-45.8177.3-73.4175.7-51.100111.9L708 A709 A714 V715 L716L708-Q712 WeakPolarHBondContact O-CG 3.45Å; L708-Q712 PolarHBondContact O-N 3.11Å; A709-Q712 PolarHBondContact O-N 2.91Å; Q712-A714 VanDerWaalsContact C-N 3.34Å; Q712-A714 PolarHBondContact O-N 3.24Å; Q712-V715 PolarHBondContact O-N 3.47Å; Q712-L716 WeakPolarHBondContact O-CB 3.18Å; Q712-L716 PolarHBondContact O-N 3.43Å
713N64.7Low66.6Low105 Ų105100.6 Ų100.656%0.56151%0.513SS*.Hα-helixtrans-62.1-40.1176.1-73.7-20000112.2A709 I711 L716 L717A709-N713 WeakPolarHBondContact O-CB 3.38Å; A709-N713 PolarHBondContact O-N 3.49Å; A709-N713 PolarHBondContact O-ND2 3.17Å; I711-N713 PolarHBondContact O-N 3.06Å; N713-L716 PolarHBondContact O-N 3.4Å; N713-L717 WeakPolarHBondContact O-CB 3.48Å; N713-L717 PolarHBondContact O-N 2.84Å
714A62.1Low66.1Low47 Ų4799.6 Ų99.639%0.38851%0.511SS..Hα-helixtrans-65.9-40.9176.700000112.7L710 I711 Q712 L717 Q718L710-A714 WeakPolarHBondContact O-CB 3.38Å; L710-A714 PolarHBondContact O-N 2.95Å; I711-A714 PolarHBondContact O-N 3.15Å; Q712-A714 VanDerWaalsContact C-N 3.34Å; Q712-A714 PolarHBondContact O-N 3.24Å; A714-L717 PolarHBondContact O-N 3.01Å; A714-Q718 WeakPolarHBondContact O-CB 3.42Å; A714-Q718 PolarHBondContact O-N 3.45Å
715V66.2Low65.8Low79 Ų7998.1 Ų98.148%0.47951%0.507SS..Hα-helixtrans-64-43.3175.2170.40000111I711 Q712 Q718 Q719I711-V715 HydrophobicContact CG2-CG2 4.49Å; I711-V715 WeakPolarHBondContact O-CG2 3.33Å; I711-V715 PolarHBondContact O-N 3.17Å; Q712-V715 PolarHBondContact O-N 3.47Å; V715-Q718 PolarHBondContact O-N 2.98Å; V715-Q719 WeakPolarHBondContact O-CB 3.21Å; V715-Q719 PolarHBondContact O-N 3.43Å
716L67.7Low65.4Low109 Ų10998.2 Ų98.257%0.57151%0.511SS*.Hα-helixtrans-64.3-40.9177.9-172143.6000111.8Q712 N713 Q719 Q720Q712-L716 WeakPolarHBondContact O-CB 3.18Å; Q712-L716 PolarHBondContact O-N 3.43Å; N713-L716 PolarHBondContact O-N 3.4Å; L716-Q719 PolarHBondContact O-N 3.39Å; L716-Q720 WeakPolarHBondContact O-CB 3.43Å; L716-Q720 PolarHBondContact O-N 2.75Å
717L66.5Low64.8Low89 Ų8995.6 Ų95.647%0.46651%0.508SS..Hα-helixtrans-62.1-42.7172.5-115.7161.3000112.1N713 A714 Q719 Q720 Q721N713-L717 WeakPolarHBondContact O-CB 3.48Å; N713-L717 PolarHBondContact O-N 2.84Å; A714-L717 PolarHBondContact O-N 3.01Å; L717-Q719 VanDerWaalsContact C-N 3.35Å; L717-Q720 PolarHBondContact O-N 3.44Å; L717-Q721 WeakPolarHBondContact O-CG 3.32Å; L717-Q721 PolarHBondContact O-N 3.22Å
718Q70.8Confident65.1Low129 Ų12998.5 Ų98.560%0.60352%0.517SS*.Hα-helixtrans-64.7-38.7176.6-169-179.630.400111.9A714 V715 R722A714-Q718 WeakPolarHBondContact O-CB 3.42Å; A714-Q718 PolarHBondContact O-N 3.45Å; V715-Q718 PolarHBondContact O-N 2.98Å; Q718-R722 WeakPolarHBondContact O-CB 3.5Å; Q718-R722 PolarHBondContact O-N 3.39Å
719Q68.4Low64.7Low118 Ų11896.6 Ų96.655%0.55152%0.515SS*.Hα-helixtrans-68.6-40.4176.1-166.9172.415.600111.6V715 L716 L717 R722 N723V715-Q719 WeakPolarHBondContact O-CB 3.21Å; V715-Q719 PolarHBondContact O-N 3.43Å; L716-Q719 PolarHBondContact O-N 3.39Å; L717-Q719 VanDerWaalsContact C-N 3.35Å; Q719-R722 WeakPolarHBondContact O-CB 3.39Å; Q719-R722 PolarHBondContact O-N 3.02Å; Q719-N723 VanDerWaalsContact O-CG 3.27Å; Q719-N723 PolarHBondContact O-N 2.92Å; Q719-N723 PolarHBondContact O-OD1 3.35Å
720Q67.9Low64.8Low109 Ų10997.4 Ų97.451%0.50952%0.522SS..Hα-helixtrans-63.5-43.2174.1-166.4179.824.900111.8L716 L717 R722 N723 N724L716-Q720 WeakPolarHBondContact O-CB 3.43Å; L716-Q720 PolarHBondContact O-N 2.75Å; L717-Q720 PolarHBondContact O-N 3.44Å; Q720-R722 VanDerWaalsContact C-N 3.34Å; Q720-R722 PolarHBondContact O-N 2.96Å; Q720-N723 PolarHBondContact O-N 2.82Å; Q720-N724 VanDerWaalsContact O-CG 3.26Å; Q720-N724 PolarHBondContact O-N 3.37Å
721Q65Low65Low114 Ų11496.7 Ų96.753%0.53353%0.526SS..Hα-helixtrans-60.5-41.6172.1-74.8-179.2-1.500112L717 N724 N725L717-Q721 WeakPolarHBondContact O-CG 3.32Å; L717-Q721 PolarHBondContact O-N 3.22Å; Q721-N724 PolarHBondContact O-N 3.07Å; Q721-N725 WeakPolarHBondContact O-CB 3.26Å; Q721-N725 VanDerWaalsContact O-CG 3.25Å; Q721-N725 PolarHBondContact O-N 3.16Å; Q721-N725 PolarHBondContact O-ND2 3.38Å
722R60.4Low65.2Low183 Ų18397.1 Ų97.169%0.69153%0.529SS*.Hα-helixtrans-62-44.7176.7-162179.1-162.8130.71.8111.6Q718 Q719 Q720 N725 V726Q718-R722 WeakPolarHBondContact O-CB 3.5Å; Q718-R722 PolarHBondContact O-N 3.39Å; Q719-R722 WeakPolarHBondContact O-CB 3.39Å; Q719-R722 PolarHBondContact O-N 3.02Å; Q720-R722 VanDerWaalsContact C-N 3.34Å; Q720-R722 PolarHBondContact O-N 2.96Å; R722-N725 PolarHBondContact O-N 2.98Å; R722-V726 WeakPolarHBondContact O-CG2 3.48Å; R722-V726 PolarHBondContact O-N 3.44Å
723N63.5Low65.4Low98 Ų9896 Ų9652%0.52453%0.53SS..Hα-helixtrans-63.9-43.5177.8-68.9-4.7000111.7Q719 Q720 N725 V726 A727Q719-N723 VanDerWaalsContact O-CG 3.27Å; Q719-N723 PolarHBondContact O-N 2.92Å; Q719-N723 PolarHBondContact O-OD1 3.35Å; Q720-N723 PolarHBondContact O-N 2.82Å; N723-N725 VanDerWaalsContact C-N 3.34Å; N723-N725 PolarHBondContact O-N 3.33Å; N723-V726 PolarHBondContact O-N 2.91Å; N723-A727 WeakPolarHBondContact O-CB 3.46Å; N723-A727 PolarHBondContact O-N 3.13Å
724N64.1Low66Low90 Ų9096.4 Ų96.448%0.48153%0.532SS..Hα-helixtrans-61.9-41.1175.2-69.3-12.3000111.9Q720 Q721 A727 N728Q720-N724 VanDerWaalsContact O-CG 3.26Å; Q720-N724 PolarHBondContact O-N 3.37Å; Q721-N724 PolarHBondContact O-N 3.07Å; N724-A727 PolarHBondContact O-N 3.33Å; N724-N728 WeakPolarHBondContact O-CB 3.42Å; N724-N728 VanDerWaalsContact O-CG 3.27Å; N724-N728 PolarHBondContact O-N 3.45Å; N724-N728 PolarHBondContact O-ND2 2.71Å
725N65.2Low66.6Low107 Ų107101.7 Ų101.757%0.57254%0.542SS*.Hα-helixtrans-68-38.2177.2-71.6-13.4000112.4Q721 R722 N723 A729Q721-N725 WeakPolarHBondContact O-CB 3.26Å; Q721-N725 VanDerWaalsContact O-CG 3.25Å; Q721-N725 PolarHBondContact O-N 3.16Å; Q721-N725 PolarHBondContact O-ND2 3.38Å; R722-N725 PolarHBondContact O-N 2.98Å; N723-N725 VanDerWaalsContact C-N 3.34Å; N723-N725 PolarHBondContact O-N 3.33Å; N725-A729 WeakPolarHBondContact O-CB 3.33Å; N725-A729 PolarHBondContact O-N 3.35Å
726V64.3Low67.2Low94 Ų94104.1 Ų104.157%0.5755%0.548SS*.Hα-helixtrans-66.8-41.8174.1170.30000111.2R722 N723 A729 A730R722-V726 WeakPolarHBondContact O-CG2 3.48Å; R722-V726 PolarHBondContact O-N 3.44Å; N723-V726 PolarHBondContact O-N 2.91Å; V726-A729 PolarHBondContact O-N 2.84Å; V726-A730 WeakPolarHBondContact O-CB 3.44Å; V726-A730 PolarHBondContact O-N 3Å
727A59.4Low67.7Low57 Ų57103.8 Ų103.847%0.47154%0.543SS..Hα-helixtrans-62.3-44.2175.400000112N723 N724 A730 A731N723-A727 WeakPolarHBondContact O-CB 3.46Å; N723-A727 PolarHBondContact O-N 3.13Å; N724-A727 PolarHBondContact O-N 3.33Å; A727-A730 PolarHBondContact O-N 3.47Å; A727-A731 WeakPolarHBondContact O-CB 3.24Å; A727-A731 PolarHBondContact O-N 3.01Å
728N64.9Low68.4Low111 Ų111106 Ų10659%0.59455%0.551SS**Hα-helixtrans-63.1-40.9175-74-22.2000112.2N724 A731 L732N724-N728 WeakPolarHBondContact O-CB 3.42Å; N724-N728 VanDerWaalsContact O-CG 3.27Å; N724-N728 PolarHBondContact O-N 3.45Å; N724-N728 PolarHBondContact O-ND2 2.71Å; N728-A731 PolarHBondContact O-N 2.98Å; N728-L732 WeakPolarHBondContact O-CB 3.47Å; N728-L732 PolarHBondContact O-N 3.47Å
729A58.2Low68.8Low55 Ų55104.8 Ų104.846%0.45555%0.546SS..Hα-helixtrans-64.9-44.1175.700000112N725 V726 L732 V733N725-A729 WeakPolarHBondContact O-CB 3.33Å; N725-A729 PolarHBondContact O-N 3.35Å; V726-A729 PolarHBondContact O-N 2.84Å; A729-L732 PolarHBondContact O-N 3.26Å; A729-V733 WeakPolarHBondContact O-CG2 3.46Å; A729-V733 PolarHBondContact O-N 2.97Å
730A64.3Low69.2Low58 Ų58105.8 Ų105.848%0.47955%0.55SS.*Hα-helixtrans-62.4-42.2176.400000112.1V726 A727 L732 V733 L734V726-A730 WeakPolarHBondContact O-CB 3.44Å; V726-A730 PolarHBondContact O-N 3Å; A727-A730 PolarHBondContact O-N 3.47Å; A730-L732 VanDerWaalsContact C-N 3.33Å; A730-L732 PolarHBondContact O-N 2.97Å; A730-V733 PolarHBondContact O-N 3.28Å; A730-L734 WeakPolarHBondContact O-CB 3.47Å; A730-L734 PolarHBondContact O-N 3.04Å
731A66.9Low69.6Low58 Ų58106.5 Ų106.548%0.47955%0.554SS.*Hα-helixtrans-63.3-36.7175.200000112.6A727 N728 R735A727-A731 WeakPolarHBondContact O-CB 3.24Å; A727-A731 PolarHBondContact O-N 3.01Å; N728-A731 PolarHBondContact O-N 2.98Å; A731-R735 WeakPolarHBondContact O-CB 3.39Å; A731-R735 PolarHBondContact O-N 3.23Å
732L71.4Confident70.3Confident115 Ų115107.1 Ų107.160%0.60256%0.56SS**Hα-helixtrans-69.2-42.4176.5-163.5157.5000111.5N728 A729 A730 R735 Q736N728-L732 WeakPolarHBondContact O-CB 3.47Å; N728-L732 PolarHBondContact O-N 3.47Å; A729-L732 PolarHBondContact O-N 3.26Å; A730-L732 VanDerWaalsContact C-N 3.33Å; A730-L732 PolarHBondContact O-N 2.97Å; L732-R735 PolarHBondContact O-N 3.15Å; L732-Q736 WeakPolarHBondContact O-CB 3.45Å; L732-Q736 PolarHBondContact O-N 3.12Å
733V72.6Confident71Confident91 Ų91101 Ų10155%0.55255%0.548SS*.Hα-helixtrans-63.5-44.7174.4171.80000111.4A729 A730 R735 Q736 Q737A729-V733 WeakPolarHBondContact O-CG2 3.46Å; A729-V733 PolarHBondContact O-N 2.97Å; A730-V733 PolarHBondContact O-N 3.28Å; V733-R735 VanDerWaalsContact C-N 3.31Å; V733-R735 PolarHBondContact O-N 2.91Å; V733-Q736 PolarHBondContact O-N 3.43Å; V733-Q737 PolarHBondContact O-N 3.11Å
734L76Confident71.8Confident114 Ų114100.7 Ų100.760%0.59755%0.55SS*.Hα-helixtrans-59.1-43.5176.5-168.679000111.3A730 Q737 Q738A730-L734 WeakPolarHBondContact O-CB 3.47Å; A730-L734 PolarHBondContact O-N 3.04Å; L734-Q737 PolarHBondContact O-N 3.23Å; L734-Q738 PolarHBondContact O-N 3.05Å
735R75.1Confident72.4Confident158 Ų15898.9 Ų98.960%0.59655%0.548SS*.Hα-helixtrans-64.6-42.9176.7-177.3176.6177.2153.93.8112.5A731 L732 V733 Q737 Q738 E739A731-R735 WeakPolarHBondContact O-CB 3.39Å; A731-R735 PolarHBondContact O-N 3.23Å; L732-R735 PolarHBondContact O-N 3.15Å; V733-R735 VanDerWaalsContact C-N 3.31Å; V733-R735 PolarHBondContact O-N 2.91Å; R735-Q737 VanDerWaalsContact C-N 3.31Å; R735-Q737 PolarHBondContact O-N 3.47Å; R735-Q738 PolarHBondContact O-N 3.33Å; R735-E739 WeakPolarHBondContact CG-OE1 3.3Å; R735-E739 IonicContact CZ-OE1 3.55Å; R735-E739 IonicContact NE-OE1 3.67Å; R735-E739 PolarHBondContact NE-OE1 3.07Å; R735-E739 IonicContact NH2-OE1 2.65Å; R735-E739 WeakPolarHBondContact O-CG 3.32Å; R735-E739 PolarHBondContact O-N 3.21Å
736Q79.1Confident73.1Confident129 Ų12996.7 Ų96.760%0.60354%0.541SS*.Hα-helixtrans-61.9-39.6175.4-178.4175.280.500111.7L732 V733 E739 Q740L732-Q736 WeakPolarHBondContact O-CB 3.45Å; L732-Q736 PolarHBondContact O-N 3.12Å; V733-Q736 PolarHBondContact O-N 3.43Å; Q736-E739 PolarHBondContact O-N 3.3Å; Q736-Q740 WeakPolarHBondContact O-CB 3.36Å; Q736-Q740 PolarHBondContact O-N 3.49Å
737Q78.7Confident74Confident103 Ų10397.1 Ų97.148%0.48154%0.539SS..Hα-helixtrans-64.2-42174.3-171.5-179.247.300111.7V733 L734 R735 Q740 Q741V733-Q737 PolarHBondContact O-N 3.11Å; L734-Q737 PolarHBondContact O-N 3.23Å; R735-Q737 VanDerWaalsContact C-N 3.31Å; R735-Q737 PolarHBondContact O-N 3.47Å; Q737-Q740 PolarHBondContact O-N 3.44Å; Q737-Q741 WeakPolarHBondContact O-CG 3.38Å; Q737-Q741 PolarHBondContact O-N 3.46Å
738Q80.3Confident75.1Confident134 Ų134101.2 Ų101.263%0.62655%0.548SS*.Hα-helixtrans-63.8-44.5176.3-171-179.519.100112.1L734 R735 Q740 Q741 L742L734-Q738 PolarHBondContact O-N 3.05Å; R735-Q738 PolarHBondContact O-N 3.33Å; Q738-Q740 VanDerWaalsContact C-N 3.31Å; Q738-Q740 PolarHBondContact O-N 2.89Å; Q738-Q741 PolarHBondContact O-N 2.97Å; Q738-L742 WeakPolarHBondContact O-CB 3.37Å; Q738-L742 PolarHBondContact O-N 3.37Å
739E79Confident75.9Confident105 Ų10598.2 Ų98.249%0.49154%0.539SS..Hα-helixtrans-63.7-36.1176.4-72172.1-170.800111.2R735 Q736 L742 A743R735-E739 WeakPolarHBondContact CG-OE1 3.3Å; R735-E739 IonicContact CZ-OE1 3.55Å; R735-E739 IonicContact NE-OE1 3.67Å; R735-E739 PolarHBondContact NE-OE1 3.07Å; R735-E739 IonicContact NH2-OE1 2.65Å; R735-E739 WeakPolarHBondContact O-CG 3.32Å; R735-E739 PolarHBondContact O-N 3.21Å; Q736-E739 PolarHBondContact O-N 3.3Å; E739-L742 PolarHBondContact O-N 2.88Å; E739-A743 PolarHBondContact O-N 2.94Å
740Q77.9Confident77.2Confident138 Ų138101.8 Ų101.865%0.64555%0.547SS*.Hα-helixtrans-69.4-40.2174.3-168.3174.651.300113Q736 Q737 Q738 A743 V744Q736-Q740 WeakPolarHBondContact O-CB 3.36Å; Q736-Q740 PolarHBondContact O-N 3.49Å; Q737-Q740 PolarHBondContact O-N 3.44Å; Q738-Q740 VanDerWaalsContact C-N 3.31Å; Q738-Q740 PolarHBondContact O-N 2.89Å; Q740-A743 PolarHBondContact O-N 3.33Å; Q740-V744 WeakPolarHBondContact O-CG2 3.4Å; Q740-V744 PolarHBondContact O-N 3Å; Q740-V744 VanDerWaalsContact O-N 3.11Å
741Q75.4Confident78Confident125 Ų125104 Ų10458%0.58455%0.55SS**Hα-helixtrans-63.2-41.5173.8-73.8178.15.300111.7Q737 Q738 A743 V744 A745Q737-Q741 WeakPolarHBondContact O-CG 3.38Å; Q737-Q741 PolarHBondContact O-N 3.46Å; Q738-Q741 PolarHBondContact O-N 2.97Å; Q741-A743 VanDerWaalsContact C-N 3.33Å; Q741-A743 PolarHBondContact O-N 3.45Å; Q741-V744 PolarHBondContact O-N 2.88Å; Q741-A745 WeakPolarHBondContact O-CB 3.46Å; Q741-A745 PolarHBondContact O-N 2.92Å
742L78.9Confident78.7Confident126 Ų126108.4 Ų108.466%0.6656%0.556SS**Hα-helixtrans-64.1-37.2176.8-168.668.1000112.1Q738 E739 S746Q738-L742 WeakPolarHBondContact O-CB 3.37Å; Q738-L742 PolarHBondContact O-N 3.37Å; E739-L742 PolarHBondContact O-N 2.88Å; L742-S746 WeakPolarHBondContact O-CB 3.43Å; L742-S746 PolarHBondContact O-N 3.34Å; L742-S746 PolarHBondContact O-OG 3.33Å; L742-S746 VanDerWaalsContact O-OG 3.05Å
743A75.7Confident79.4Confident54 Ų54107.5 Ų107.545%0.44655%0.55SS.*Hα-helixtrans-62.9-44.3173.100000112.1E739 Q740 Q741 S746 L747E739-A743 PolarHBondContact O-N 2.94Å; Q740-A743 PolarHBondContact O-N 3.33Å; Q741-A743 VanDerWaalsContact C-N 3.33Å; Q741-A743 PolarHBondContact O-N 3.45Å; A743-S746 PolarHBondContact O-OG 3.03Å; A743-L747 PolarHBondContact O-N 3.5Å; A743-L747 VanDerWaalsContact O-N 3.12Å
744V81.1Confident79.8Confident92 Ų92105 Ų10556%0.55854%0.539SS*.Hα-helixtrans-65.1-44.6176.8174.10000111.4Q740 Q741 S746 L747 Q748Q740-V744 WeakPolarHBondContact O-CG2 3.4Å; Q740-V744 PolarHBondContact O-N 3Å; Q740-V744 VanDerWaalsContact O-N 3.11Å; Q741-V744 PolarHBondContact O-N 2.88Å; V744-S746 PolarHBondContact O-N 3.05Å; V744-L747 PolarHBondContact O-N 3.39Å; V744-Q748 PolarHBondContact O-N 2.93Å
745A76.5Confident80.1Confident53 Ų53101.8 Ų101.844%0.43853%0.529SS..Hα-helixtrans-62.1-42.5178.600000112.5Q741 Q748 A749Q741-A745 WeakPolarHBondContact O-CB 3.46Å; Q741-A745 PolarHBondContact O-N 2.92Å; A745-Q748 PolarHBondContact O-N 3.41Å; A745-A749 WeakPolarHBondContact O-CB 3.48Å; A745-A749 PolarHBondContact O-N 3.25Å
746S79.7Confident80.5Confident61 Ų6197.4 Ų97.443%0.42752%0.517SS..Hα-helixtrans-66.7-36.1177600000112.8L742 A743 V744 A749 Q750L742-S746 WeakPolarHBondContact O-CB 3.43Å; L742-S746 PolarHBondContact O-N 3.34Å; L742-S746 PolarHBondContact O-OG 3.33Å; L742-S746 VanDerWaalsContact O-OG 3.05Å; A743-S746 PolarHBondContact O-OG 3.03Å; V744-S746 PolarHBondContact O-N 3.05Å; S746-A749 PolarHBondContact O-N 2.9Å; S746-Q750 WeakPolarHBondContact O-CG 3.29Å; S746-Q750 PolarHBondContact O-N 3.07Å
747L82.9Confident80.6Confident103 Ų10397.2 Ų97.254%0.53952%0.516SS..Hα-helixtrans-65.9-40.4173.3-165.176.1000111.9A743 V744 Q750 N751A743-L747 PolarHBondContact O-N 3.5Å; A743-L747 VanDerWaalsContact O-N 3.12Å; V744-L747 PolarHBondContact O-N 3.39Å; L747-Q750 PolarHBondContact O-N 2.91Å; L747-N751 PolarHBondContact O-N 2.97Å; L747-N751 PolarHBondContact O-ND2 3.43Å
748Q82.5Confident80.5Confident142 Ų142101.1 Ų101.166%0.66453%0.526SS*.Hα-helixtrans-64.1-42.1174.8-174.8174.8-7.100111.6V744 A745 N751 Y752V744-Q748 PolarHBondContact O-N 2.93Å; A745-Q748 PolarHBondContact O-N 3.41Å; Q748-N751 PolarHBondContact O-N 3.45Å; Q748-Y752 PolarHBondContact O-N 3.39Å
749A81.5Confident80.2Confident49 Ų49101.1 Ų101.141%0.40553%0.527SS..Hα-helixtrans-62.8-44175.900000112.4A745 S746 N751 Y752 I753A745-A749 WeakPolarHBondContact O-CB 3.48Å; A745-A749 PolarHBondContact O-N 3.25Å; S746-A749 PolarHBondContact O-N 2.9Å; A749-N751 PolarHBondContact O-N 3.37Å; A749-Y752 PolarHBondContact O-N 2.99Å; A749-I753 WeakPolarHBondContact O-CG1 3.37Å; A749-I753 PolarHBondContact O-N 3.36Å
750Q85.4Confident79.9Confident130 Ų130101.5 Ų101.561%0.60753%0.531SS*.Hα-helixtrans-60.8-44.3175-74.5-178.28.100112.1S746 L747 Y752 I753 A754S746-Q750 WeakPolarHBondContact O-CG 3.29Å; S746-Q750 PolarHBondContact O-N 3.07Å; L747-Q750 PolarHBondContact O-N 2.91Å; Q750-Y752 VanDerWaalsContact C-N 3.33Å; Q750-Y752 PolarHBondContact O-N 3.15Å; Q750-I753 PolarHBondContact O-N 3.3Å; Q750-A754 WeakPolarHBondContact O-CB 3.5Å; Q750-A754 PolarHBondContact O-N 3.08Å
751N81.9Confident79.7Confident103 Ų10399.3 Ų99.355%0.55153%0.527SS*.Hα-helixtrans-62.5-38.3176.4-77-45.5000112.5L747 Q748 A749 A754 A755L747-N751 PolarHBondContact O-N 2.97Å; L747-N751 PolarHBondContact O-ND2 3.43Å; Q748-N751 PolarHBondContact O-N 3.45Å; A749-N751 PolarHBondContact O-N 3.37Å; N751-A754 PolarHBondContact O-N 2.96Å; N751-A755 WeakPolarHBondContact O-CB 3.4Å; N751-A755 PolarHBondContact O-N 3.31Å
752Y81.7Confident79.4Confident152 Ų15299 Ų9960%0.59653%0.529SS*.Hα-helixtrans-67-43.8176.3-175.8-107.9000112.4Q748 A749 Q750 A754 A755 L756Q748-Y752 PolarHBondContact O-N 3.39Å; A749-Y752 PolarHBondContact O-N 2.99Å; Q750-Y752 VanDerWaalsContact C-N 3.33Å; Q750-Y752 PolarHBondContact O-N 3.15Å; Y752-A754 VanDerWaalsContact C-N 3.35Å; Y752-A754 PolarHBondContact O-N 2.87Å; Y752-A755 WeakPolarHBondContact O-CB 3.46Å; Y752-A755 PolarHBondContact O-N 3.06Å; Y752-L756 HydrophobicContact CD1-CD1 4Å; Y752-L756 HydrophobicContact CE1-CD1 3.5Å; Y752-L756 HydrophobicContact CE1-CG 4.2Å; Y752-L756 PolarHBondContact O-N 3.48Å
753I85Confident78.5Confident96 Ų9696.7 Ų96.749%0.49252%0.524SS..Hα-helixtrans-61.9-43175.2-67.3164.9000110.7A749 Q750 A755 L756 Q757A749-I753 WeakPolarHBondContact O-CG1 3.37Å; A749-I753 PolarHBondContact O-N 3.36Å; Q750-I753 PolarHBondContact O-N 3.3Å; I753-A755 VanDerWaalsContact C-N 3.32Å; I753-A755 PolarHBondContact O-N 2.82Å; I753-L756 PolarHBondContact O-N 3.13Å; I753-Q757 WeakPolarHBondContact O-CG 3.5Å; I753-Q757 PolarHBondContact O-N 2.82Å
754A81.9Confident77.6Confident38 Ų38102.1 Ų102.131%0.31454%0.54SS..Hα-helixtrans-64.8-33.3176.100000112.9Q750 N751 Y752 R758Q750-A754 WeakPolarHBondContact O-CB 3.5Å; Q750-A754 PolarHBondContact O-N 3.08Å; N751-A754 PolarHBondContact O-N 2.96Å; Y752-A754 VanDerWaalsContact C-N 3.35Å; Y752-A754 PolarHBondContact O-N 2.87Å; A754-R758 WeakPolarHBondContact O-CG 3.35Å; A754-R758 PolarHBondContact O-N 3.41Å; A754-R758 VanDerWaalsContact O-N 3.15Å
755A81.6Confident76.1Confident47 Ų47106.2 Ų106.239%0.38857%0.565SS.*Hα-helixtrans-68.7-44.4173.900000112.1N751 Y752 I753 R758 Q759N751-A755 WeakPolarHBondContact O-CB 3.4Å; N751-A755 PolarHBondContact O-N 3.31Å; Y752-A755 WeakPolarHBondContact O-CB 3.46Å; Y752-A755 PolarHBondContact O-N 3.06Å; I753-A755 VanDerWaalsContact C-N 3.32Å; I753-A755 PolarHBondContact O-N 2.82Å; A755-R758 PolarHBondContact O-N 2.99Å; A755-Q759 PolarHBondContact O-N 3.37Å
756L84.1Confident76.1Confident65 Ų65108.9 Ų108.934%0.3457%0.572SS.*Hα-helixtrans-61.7-43.2174.7-74.3175.5000112.1Y752 I753 R758 Q759 L760Y752-L756 HydrophobicContact CD1-CD1 4Å; Y752-L756 HydrophobicContact CE1-CD1 3.5Å; Y752-L756 HydrophobicContact CE1-CG 4.2Å; Y752-L756 PolarHBondContact O-N 3.48Å; I753-L756 PolarHBondContact O-N 3.13Å; L756-R758 VanDerWaalsContact C-N 3.31Å; L756-R758 PolarHBondContact O-N 3.44Å; L756-Q759 PolarHBondContact O-N 3.45Å; L756-L760 WeakPolarHBondContact O-CG 3.28Å; L756-L760 PolarHBondContact O-N 3.19Å
757Q80.7Confident75.9Confident125 Ų125111.4 Ų111.458%0.58458%0.579SS**Hα-helixtrans-58.6-42.6174.8-76.6-179.4-18.100111.8I753 L760 T761I753-Q757 WeakPolarHBondContact O-CG 3.5Å; I753-Q757 PolarHBondContact O-N 2.82Å; Q757-L760 PolarHBondContact O-N 2.74Å; Q757-T761 PolarHBondContact O-N 3.21Å; Q757-T761 PolarHBondContact O-OG1 3.01Å
758R77.6Confident75.5Confident185 Ų185111.8 Ų111.870%0.69858%0.581SS**Hα-helixtrans-65.2-37.7175.6-74.8175.8178.8-179.71.3113.2A754 A755 L756 T761 N762A754-R758 WeakPolarHBondContact O-CG 3.35Å; A754-R758 PolarHBondContact O-N 3.41Å; A754-R758 VanDerWaalsContact O-N 3.15Å; A755-R758 PolarHBondContact O-N 2.99Å; L756-R758 VanDerWaalsContact C-N 3.31Å; L756-R758 PolarHBondContact O-N 3.44Å; R758-T761 WeakPolarHBondContact CA-OG1 3.47Å; R758-T761 PolarHBondContact O-OG1 3.38Å; R758-T761 VanDerWaalsContact O-OG1 3.05Å; R758-N762 VanDerWaalsContact O-CB 3.31Å; R758-N762 WeakPolarHBondContact O-CB 3.4Å; R758-N762 PolarHBondContact O-N 2.94Å; R758-N762 VanDerWaalsContact O-N 3.09Å; R758-N762 PolarHBondContact O-ND2 3.2Å; R758-N762 PolarHBondContact O-OD1 3.38Å
759Q74.1Confident75.1Confident135 Ų135110.1 Ų110.163%0.63158%0.577SS**Hα-helixtrans-64.6-44.5174.7-74.9-176.6-36.400111.3A755 L756 N762 S763A755-Q759 PolarHBondContact O-N 3.37Å; L756-Q759 PolarHBondContact O-N 3.45Å; Q759-N762 PolarHBondContact O-N 3.34Å; Q759-S763 PolarHBondContact O-N 2.8Å; Q759-S763 PolarHBondContact O-OG 3.18Å
760L72.6Confident74.6Confident113 Ų113113.9 Ų113.959%0.59259%0.587SS**Hα-helixtrans-66-35.8178.7-71.4166.6000113.4L756 Q757 S763L756-L760 WeakPolarHBondContact O-CG 3.28Å; L756-L760 PolarHBondContact O-N 3.19Å; Q757-L760 PolarHBondContact O-N 2.74Å; L760-S763 PolarHBondContact O-OG 3.34Å; L760-S763 VanDerWaalsContact O-OG 3.11Å
761T72.6Confident73.9Confident91 Ų91112.8 Ų112.856%0.55859%0.586SS**Hα-helixtrans-70.9-34.6173.251.80000112.4Q757 R758 S763Q757-T761 PolarHBondContact O-N 3.21Å; Q757-T761 PolarHBondContact O-OG1 3.01Å; R758-T761 WeakPolarHBondContact CA-OG1 3.47Å; R758-T761 PolarHBondContact O-OG1 3.38Å; R758-T761 VanDerWaalsContact O-OG1 3.05Å; T761-S763 VanDerWaalsContact C-N 3.32Å
762N68.8Low73.4Confident118 Ų118113.5 Ų113.563%0.63159%0.588SS**Hα-helixtrans-79.1-13179.9-673.8000113.3R758 Q759R758-N762 VanDerWaalsContact O-CB 3.31Å; R758-N762 WeakPolarHBondContact O-CB 3.4Å; R758-N762 PolarHBondContact O-N 2.94Å; R758-N762 VanDerWaalsContact O-N 3.09Å; R758-N762 PolarHBondContact O-ND2 3.2Å; R758-N762 PolarHBondContact O-OD1 3.38Å; Q759-N762 PolarHBondContact O-N 3.34Å
763S59.9Low72.7Confident78 Ų78110.5 Ų110.555%0.54559%0.588SS.*THydrogen-bonded Turntrans-93.56.7175.863.70000114.1Q759 L760 T761Q759-S763 PolarHBondContact O-N 2.8Å; Q759-S763 PolarHBondContact O-OG 3.18Å; L760-S763 PolarHBondContact O-OG 3.34Å; L760-S763 VanDerWaalsContact O-OG 3.11Å; T761-S763 VanDerWaalsContact C-N 3.32Å
764H57.3Low71.7Confident169 Ų169111.8 Ų111.878%0.78260%0.596SS**  trans-120.417.3179.9-90.4-65000113.7
765T49.3Very low70.8Confident177 Ų177118.5 Ų118.5100%1.08662%0.621SS**  trans-124.70171.856.90000110.2

Retrieved 765 of 765 residues in 518.1 ms (Link to these results)