A0A096MUG8_PAPAN Loading...

Synaptonemal complex protein 1

AlphaFold DB , UniProt , Accession A0A096MUG8, Species PAPAN (Papio anubis, Olive baboon), Gene SYCP1, Length 976 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36Very low37.2Very low230 Ų230150.2 Ų150.2100%1.13375%0.745SS**  0116.90-57.1-171.8-157.500105.5
2E32.7Very low38.8Very low150 Ų150145.3 Ų145.370%0.70173%0.733SS**  67.1137.579.5-67-15915000112.2
3K37Very low39.2Very low148 Ų148143.5 Ų143.564%0.64374%0.737SS**  cis-161.6160.3-4.5-91.9152.7177.4149.80105.4
4Q35.7Very low39Very low160 Ų160148.5 Ų148.575%0.74874%0.742SS**  cis-161.1156.5-17.1-103.6175.6-146.200105.6
5K40.9Very low38.8Very low151 Ų151149.1 Ų149.166%0.65775%0.747SS**  45.9138.575.5-89.7-175.8177.91790115.5F7K5-F7 HydrophobicContact CD-CE1 4Å; K5-F7 HydrophobicContact CD-CZ 3.91Å
6P55.5Low38.2Very low104 Ų104146.6 Ų146.668%0.67575%0.749SS**  -145.5142.350.430.7-7.9000120.2
7F33.8Very low37.9Very low150 Ų150144.6 Ų144.666%0.65875%0.751SS**  trans58.3155.4131.5-56.2-53.2000121.8K5K5-F7 HydrophobicContact CD-CE1 4Å; K5-F7 HydrophobicContact CD-CZ 3.91Å
8T35.2Very low37.7Very low127 Ų127141.6 Ų141.678%0.77974%0.744SS**  cis-134.5154.222.341.70000116.7
9L33.5Very low37.7Very low118 Ų118143.2 Ų143.262%0.61875%0.747SS**  trans1.7153.6156.6-71.769.8000120.9
10F34.8Very low37.5Very low191 Ų191142.7 Ų142.784%0.83875%0.75SS**  cis-132.817030.9-102.2-88.9000115.6
11V34.2Very low37.2Very low123 Ų123141.1 Ų141.175%0.74575%0.751SS**  trans-149.7178.1-173.2-140.60000110.2
12P56.5Low37.2Very low92 Ų92134 Ų13460%0.59773%0.728SS**  -115.5-167.7-99.644.2-28.2000114.3R14P12-R14 HydrophobicContact CG-CG 4.29Å
13P43.8Very low37.2Very low121 Ų121133.6 Ų133.679%0.78674%0.736SS**  -129.4145.288.520.4-0.8000112.6
14R36.8Very low37.1Very low214 Ų214133.6 Ų133.681%0.80874%0.736SS**  62.7123.658.7-76.2-163.7-177.2-156.83.6112.8P12P12-R14 HydrophobicContact CG-CG 4.29Å
15L34.8Very low37.6Very low157 Ų157132.1 Ų132.182%0.82274%0.74SS**  cis-133.5-1770.8-65.3103.9000108.8
16S30.4Very low37.1Very low110 Ų110131.5 Ų131.577%0.76974%0.74SS**  cis-158.2167.122.556.70000115.3
17S32.1Very low36.1Very low112 Ų112132.2 Ų132.278%0.78374%0.742SS**  trans-36.6150.6164.7-157.20000114.6
18S34.6Very low36.1Very low91 Ų91132.9 Ų132.964%0.63675%0.752SS**  cis-159.617141.554.10000117
19Q37.8Very low35.8Very low171 Ų171130.7 Ų130.780%0.79976%0.755SS**  trans16.9116.9157.3-67.8155.4-50.700119.5
20V33.1Very low35.6Very low133 Ų133128.8 Ų128.881%0.80676%0.763SS**  63.598.667.9-177.40000112.4
21S32.3Very low35.2Very low111 Ų111127.3 Ų127.378%0.77676%0.764SS**  74144.985.4-139.40000114
22A35.8Very low35Very low79 Ų79125.3 Ų125.365%0.65376%0.756SS**  cis-155.7142.97.800000109.5
23V33.5Very low33.7Very low142 Ų142127.5 Ų127.586%0.86177%0.768SS**  102.2148.884.4164.40000115.2
24K33.5Very low33Very low149 Ų149130.8 Ų130.865%0.64877%0.77SS**  trans-104.6165.1-175.6-166.2-163.5-169.9-171.90110.8
25P45.7Very low32.6Very low128 Ų128129.4 Ų129.483%0.83177%0.77SS**  trans-138.7177133.137.1-23.9000114.4
26Q31.6Very low32.3Very low138 Ų138129.7 Ų129.765%0.64577%0.765SS**  trans-158151.9-176.3-163.5-179.4-22.100111.5
27T35.2Very low32.1Very low119 Ų119129.9 Ų129.973%0.7377%0.766SS**  trans73.9152173.375.90000116.6
28L33.5Very low31.8Very low165 Ų165133.4 Ų133.486%0.86477%0.768SS**  cis-152149.25.7-16081.4000112.7
29G27.3Very low31.7Very low81 Ų81134.5 Ų134.584%0.83578%0.775SS**  trans79.1141.7169.700000115.1
30G29.6Very low31.4Very low77 Ų77134.7 Ų134.779%0.79477%0.773SS**  cis-178.6177.8-300000108.6
31D27.9Very low31.2Very low160 Ų160132.9 Ų132.986%0.85677%0.766SS**  cis-154.9-131.5-3.1-169.9-104.5000110.6
32S29.6Very low31.4Very low82 Ų82132.4 Ų132.457%0.57376%0.758SS**  trans-82.6143.9-163.563.30000118.1
33T29.2Very low31.1Very low138 Ų138136.4 Ų136.485%0.84776%0.763SS**  -172.4176.3111.823.50000112.4
34F29.1Very low31Very low189 Ų189136.4 Ų136.483%0.82976%0.759SS**  trans-107.7168.4-156.9-78.1-103.7000116.4
35F27.3Very low30.9Very low185 Ų185135.5 Ų135.581%0.81176%0.761SS**  trans101.7145160.7-77-103000118.4
36K28.6Very low30.2Very low163 Ų163138.2 Ų138.271%0.70976%0.76SS**  cis168.297.3-43.3168.1-163.2176.8-176.40110.2
37S26.2Very low30.1Very low115 Ų115140 Ų14080%0.80477%0.768SS**  trans-178127.6159.145.40000108.5
38F27Very low30.2Very low186 Ų186143 Ų14382%0.81677%0.772SS**  cis89.483.626.4-82.3-70.5000118.6
39S32.5Very low30.4Very low114 Ų114141 Ų14180%0.79777%0.768SS**  trans-162.9119.1141.4460000106
40K32Very low30.5Very low174 Ų174146.6 Ų146.676%0.75777%0.77SS**  cis63.7130.631-116.4-162.5174.4-165.20112.3
41C28.8Very low30.4Very low95 Ų95147.5 Ų147.564%0.64277%0.77SS**  cis-137163.43.2-38.90000109.5
42T35.2Very low30.6Very low101 Ų101148.9 Ų148.962%0.6277%0.774SS**  cis-135.8-127.2-4.3-22.80000108.8
43E30.6Very low30.6Very low163 Ų163150.9 Ų150.976%0.76278%0.783SS**  cis-153.7155.4-6.1-140.5118.3-105.900109
44D31.5Very low30.6Very low143 Ų143151.2 Ų151.277%0.76578%0.779SS**  trans-95.7176.7-176.4-49-78000111
45D31.1Very low30.5Very low130 Ų130149.7 Ų149.770%0.69578%0.779SS**  cis-166.6179.926.9-152.2-16.5000112.3
46F30.8Very low30.7Very low184 Ų184145.5 Ų145.581%0.80777%0.773SS**  trans92.8148164.5-73.2-72000123
47E29.6Very low30.8Very low175 Ų175146.3 Ų146.382%0.81878%0.776SS**  trans-110.8176.4-155.9-56.7178104.700114.6
48F37.8Very low31.2Very low184 Ų184148 Ų14881%0.80778%0.776SS**  trans-59.5155.2166.4-83.4-95000112.9
49P36.2Very low31.6Very low122 Ų122142.7 Ų142.779%0.79277%0.774SS**  -134.5147.9125.536.6-28000114.6
50F29.9Very low31.4Very low198 Ų198144.5 Ų144.587%0.86877%0.77SS**  trans-121.1112.8163-113-74.9000108.4
51A28Very low31.3Very low97 Ų97142 Ų14280%0.80277%0.765SS**  trans-162.5138.9164.500000111.8
52M32.5Very low31.5Very low189 Ų189145.7 Ų145.793%0.93178%0.777SS**  trans-98127.7156.4-70.9-176.6179.200108.6
53T29Very low31.2Very low124 Ų124147.5 Ų147.576%0.76178%0.782SS**  trans-169.1119.3144.820.40000113.3
54N29.6Very low31.3Very low145 Ų145145.4 Ų145.478%0.77579%0.786SS**  trans46127.4130.5-61.7-16.7000123.9
55L27.2Very low31.3Very low156 Ų156145 Ų14582%0.81778%0.783SS**  trans79.4138.2142.7-97.584.8000122
56S30.2Very low32.1Very low98 Ų98144.4 Ų144.469%0.68579%0.787SS**  trans66.7150162.3-64.30000116.7
57K32Very low32Very low180 Ų180138.8 Ų138.878%0.78377%0.774SS**  cis-157.8159.9-10.6-118.7174.4-177.5-174.70107.7
58N32.6Very low32.1Very low149 Ų149138 Ų13880%0.79778%0.775SS**  173.793128.6-90.97.4000110.4
59G35.5Very low31.7Very low75 Ų75138.6 Ų138.677%0.77378%0.78SS**  trans-117.3118155.500000107.1
60E30.2Very low31.4Very low152 Ų152141.6 Ų141.671%0.7178%0.781SS**  trans-154149.9179.9-75.1-158.511900107.2
61N29.9Very low31.4Very low121 Ų121138 Ų13865%0.64778%0.775SS**  cis-154.4134.5-17.6-93.8-30.1000107
62I31.1Very low31.5Very low174 Ų174138.9 Ų138.989%0.89277%0.766SS**  trans-135.6120.1140.7-64.6-172.3000106.3
63D29.6Very low31.2Very low138 Ų138139.1 Ų139.174%0.73876%0.762SS**  trans-99.9145.5179.3-179.121000109.9
64S33.4Very low31.4Very low120 Ų120141.3 Ų141.384%0.83977%0.768SS**  trans174.893.5162-80.70000111.8
65D31.8Very low32.1Very low133 Ų133139.5 Ų139.571%0.71177%0.765SS**  trans-110.2143.4138.7-171.635000106.3A67D65-A67 PolarHBondContact OD1-N 3.11Å
66P46.5Very low31.9Very low119 Ų119139.9 Ų139.977%0.77376%0.764SS**  -147.5116.296.433.9-14.3000115.8
67A30.4Very low31.9Very low65 Ų65142.4 Ų142.454%0.53777%0.769SS.*  83.2145.1115.200000121.8D65D65-A67 PolarHBondContact OD1-N 3.11Å
68L31.3Very low31.7Very low159 Ų159141.5 Ų141.583%0.83277%0.768SS**  trans69.6100.4153.5-67.4165.7000120
69Q28.7Very low31.5Very low197 Ų197142.4 Ų142.492%0.92177%0.767SS**  -151.3157.9102.9-111.1179.526.100113.4
70K30.2Very low31.1Very low184 Ų184145.9 Ų145.980%0.877%0.773SS**  trans-71.2162.2173.2-60.2172.7179.1174.10108.6
71V29.4Very low31Very low123 Ų123141.6 Ų141.675%0.74577%0.77SS**  -162.3132.855.4168.20000110.3
72N29.6Very low30.8Very low116 Ų116143.8 Ų143.862%0.6278%0.781SS**  trans11.4151.2135.8-59.6-5.8000120.6
73F26.5Very low30.9Very low194 Ų194141.5 Ų141.585%0.85178%0.781SS**  cis-141.917215.6-86.7-69.3000112.7
74L33.1Very low30.9Very low170 Ų170140.7 Ų140.789%0.8978%0.777SS**  trans-88.1174.5171.3-87.2167.1000112.4
75P44.3Very low30.5Very low107 Ų107140.3 Ų140.370%0.69577%0.772SS**  trans-105.5170-156.541-37.3000115.6
76M24.8Very low30.5Very low163 Ų163140.7 Ų140.780%0.80377%0.77SS**  trans149.4127.9135.2-85.6-16069.700113.2
77L29.6Very low29.7Very low152 Ų152146.1 Ų146.180%0.79678%0.777SS**  trans69.7156.9138.9-150.465.3000121.5
78E27.8Very low29.8Very low160 Ų160151 Ų15175%0.74879%0.788SS**  trans89.398.2155-153.2141.6-117.900120.5
79Q29Very low29.8Very low168 Ų168152 Ų15279%0.78579%0.789SS**  trans31164.2134.1-57.7-167.913.200124.2
80V26.8Very low30Very low148 Ų148145.9 Ų145.990%0.89778%0.779SS**  trans76.3132.8170.9-165.20000113.9
81G27.5Very low30.1Very low62 Ų62145.8 Ų145.864%0.63979%0.786SS**  cis-173.4176.5-3.400000112.8
82N26Very low30.5Very low167 Ų167147.9 Ų147.989%0.89379%0.785SS**  trans-47.7145.1-171.8-53.8-15.1000115.9
83S32.8Very low30.6Very low127 Ų127148.7 Ų148.789%0.88879%0.789SS**  trans-136.7124134.8-1700000108.7
84D29.5Very low31.2Very low121 Ų121144.2 Ų144.265%0.64778%0.782SS**  trans-115.4150.4-17917631.8000109.6H86D84-H86 IonicContact OD2-CD2 2.72Å
85C26Very low31.3Very low111 Ų111143.1 Ų143.175%0.7578%0.777SS**  trans-159.495.3164.957.40000111.5
86H30.5Very low31Very low141 Ų141146.3 Ų146.365%0.65379%0.787SS**  trans-52.3152.6162.4-82.1-104.2000112.9D84D84-H86 IonicContact OD2-CD2 2.72Å
87Y30.5Very low31.9Very low234 Ų234146.5 Ų146.592%0.91879%0.786SS**  trans-137.8130139-84.8-76.2000110.2
88Q32.3Very low32.5Very low166 Ų166146.1 Ų146.178%0.77679%0.785SS**  trans-149161173.3-178.8167.9-25.100108.4
89E31.5Very low33.5Very low181 Ų181143.6 Ų143.685%0.84679%0.785SS**  trans87.9111.7164.7-156.1132.5-101.100118.5
90G31.7Very low34.6Very low69 Ų69141.4 Ų141.471%0.71178%0.775SS**  82.3105.2122.100000120
91L32.2Very low36.3Very low182 Ų182138.2 Ų138.295%0.95376%0.764SS**  trans-145.1158.8139.8-139.983.4000109.6
92K38.8Very low38.1Very low167 Ų167140.9 Ų140.973%0.72676%0.763SS**  trans-149.6157.8-170.5-144.8-175.9161.9-86.40111.5
93D31.5Very low40.1Very low133 Ų133136.8 Ų136.871%0.71175%0.747SS**  trans66148.1172.7-45.1-30.9000113.4
94S38.5Very low42.1Very low100 Ų100138.2 Ų138.270%0.69973%0.733SS**  cis-152.6152.41.252.40000112.5
95D36.7Very low44.4Very low146 Ų146136.7 Ų136.778%0.78173%0.728SS**  trans42.7106.4147.9-50.6-18.5000122.5
96L36.9Very low46.6Very low174 Ų174139.3 Ų139.391%0.91172%0.723SS**  -165.9172.6109.6-126.170.8000111.7
97E43.3Very low49.2Very low168 Ų168135 Ų13579%0.78571%0.709SS**  trans-91.9155.8-151.7-65.5-169.299.600119.9
98N42.1Very low51.8Low144 Ų144131.5 Ų131.577%0.7770%0.699SS**SBendtrans63.283.6146.2-75.5-43.4000121.2
99S49.5Very low54.4Low106 Ų106129.5 Ų129.574%0.74169%0.693SS**  trans-158.4-19.3149.3-1550000115.5A101S99-A101 VanDerWaalsContact C-N 3.32Å; S99-A101 PolarHBondContact O-N 2.82Å
100E52.9Low57Low122 Ų122128.7 Ų128.757%0.5768%0.683SS**THydrogen-bonded Turntrans-53.7-27.8-159.5-68.8-151123.100119.2L102 S103 R104E100-L102 VanDerWaalsContact C-N 3.31Å; E100-L102 PolarHBondContact O-N 3.15Å; E100-S103 PolarHBondContact O-N 3.34Å; E100-R104 PolarHBondContact O-N 2.88Å; E100-R104 IonicContact OE1-NH2 2.66Å; E100-R104 IonicContact OE2-CZ 3.18Å; E100-R104 VanDerWaalsContact OE2-CZ 3.29Å; E100-R104 IonicContact OE2-NE 3.17Å; E100-R104 PolarHBondContact OE2-NE 2.82Å; E100-R104 IonicContact OE2-NH2 2.8Å; E100-R104 PolarHBondContact OE2-NH2 2.67Å
101A61.7Low59.7Low81 Ų81131.7 Ų131.767%0.66968%0.676SS**Hα-helixtrans-57.3-41.6-163.900000113.3S99S99-A101 VanDerWaalsContact C-N 3.32Å; S99-A101 PolarHBondContact O-N 2.82Å
102L64.6Low62.4Low118 Ų118127.5 Ų127.562%0.61865%0.652SS**Hα-helixtrans-70.7-44.1-178.6-167.464.6000111.7E100 R104 V105 Y106E100-L102 VanDerWaalsContact C-N 3.31Å; E100-L102 PolarHBondContact O-N 3.15Å; L102-R104 VanDerWaalsContact C-N 3.31Å; L102-R104 PolarHBondContact O-N 2.87Å; L102-V105 PolarHBondContact O-N 3.18Å; L102-V105 VanDerWaalsContact O-N 3.1Å; L102-Y106 HydrophobicContact CD1-CD2 4.4Å; L102-Y106 HydrophobicContact CD1-CE2 4.04Å; L102-Y106 HydrophobicContact CD2-CE2 4.36Å; L102-Y106 HydrophobicContact CG-CD2 4.05Å; L102-Y106 HydrophobicContact CG-CE2 3.91Å; L102-Y106 PolarHBondContact O-N 3.13Å; L102-Y106 VanDerWaalsContact O-N 3.16Å
103S69.1Low64.7Low81 Ų81122 Ų12257%0.56664%0.638SS**Hα-helixtrans-62.6-34.3-179.8-620000113.1E100 V105 S107E100-S103 PolarHBondContact O-N 3.34Å; S103-V105 VanDerWaalsContact C-N 3.33Å; S103-V105 PolarHBondContact O-N 3.36Å; S103-S107 WeakPolarHBondContact O-CB 3.47Å; S103-S107 PolarHBondContact O-N 3.49Å
104R74Confident67.4Low158 Ų158118.1 Ų118.160%0.59662%0.615SS**Hα-helixtrans-63.8-35.9174.4-70.2-173.3-176.5-155.72.5112.5E100 L102 K108E100-R104 PolarHBondContact O-N 2.88Å; E100-R104 IonicContact OE1-NH2 2.66Å; E100-R104 IonicContact OE2-CZ 3.18Å; E100-R104 VanDerWaalsContact OE2-CZ 3.29Å; E100-R104 IonicContact OE2-NE 3.17Å; E100-R104 PolarHBondContact OE2-NE 2.82Å; E100-R104 IonicContact OE2-NH2 2.8Å; E100-R104 PolarHBondContact OE2-NH2 2.67Å; L102-R104 VanDerWaalsContact C-N 3.31Å; L102-R104 PolarHBondContact O-N 2.87Å; R104-K108 WeakPolarHBondContact O-CG 3.05Å; R104-K108 PolarHBondContact O-N 3.48Å
105V77.1Confident70Confident88 Ų88119 Ų11953%0.53361%0.606SS.*Hα-helixtrans-71.1-49.2177.5179.40000110.5L102 S103 S107 K108 L109L102-V105 PolarHBondContact O-N 3.18Å; L102-V105 VanDerWaalsContact O-N 3.1Å; S103-V105 VanDerWaalsContact C-N 3.33Å; S103-V105 PolarHBondContact O-N 3.36Å; V105-S107 VanDerWaalsContact C-N 3.33Å; V105-S107 PolarHBondContact O-N 3.04Å; V105-K108 PolarHBondContact O-N 3.25Å; V105-L109 WeakPolarHBondContact O-CB 3.47Å; V105-L109 PolarHBondContact O-N 3.19Å
106Y74Confident72.5Confident166 Ų166117 Ų11765%0.65160%0.595SS**Hα-helixtrans-57.5-42.9175.6-85.1-79.4000112.4L102 K108 L109 Y110L102-Y106 HydrophobicContact CD1-CD2 4.4Å; L102-Y106 HydrophobicContact CD1-CE2 4.04Å; L102-Y106 HydrophobicContact CD2-CE2 4.36Å; L102-Y106 HydrophobicContact CG-CD2 4.05Å; L102-Y106 HydrophobicContact CG-CE2 3.91Å; L102-Y106 PolarHBondContact O-N 3.13Å; L102-Y106 VanDerWaalsContact O-N 3.16Å; Y106-K108 PolarHBondContact O-N 3.43Å; Y106-L109 PolarHBondContact O-N 3.38Å; Y106-Y110 VanDerWaalsContact O-CB 3.25Å; Y106-Y110 WeakPolarHBondContact O-CB 3.42Å; Y106-Y110 PolarHBondContact O-N 3.23Å
107S84.2Confident75.2Confident52 Ų52115 Ų11536%0.36458%0.579SS.*Hα-helixtrans-63.4-40.2177.8-169.70000112.8S103 V105 K111S103-S107 WeakPolarHBondContact O-CB 3.47Å; S103-S107 PolarHBondContact O-N 3.49Å; V105-S107 VanDerWaalsContact C-N 3.33Å; V105-S107 PolarHBondContact O-N 3.04Å; S107-K111 WeakPolarHBondContact O-CB 3.5Å; S107-K111 VanDerWaalsContact O-CG 3.24Å; S107-K111 WeakPolarHBondContact O-CG 3.29Å; S107-K111 PolarHBondContact O-N 3.06Å
108K85.9Confident77.5Confident159 Ų159113.2 Ų113.269%0.69157%0.568SS**Hα-helixtrans-64.7-48.3174.5-77.4-178.9176.7-175.70111.8R104 V105 Y106 Y110 K111 E112R104-K108 WeakPolarHBondContact O-CG 3.05Å; R104-K108 PolarHBondContact O-N 3.48Å; V105-K108 PolarHBondContact O-N 3.25Å; Y106-K108 PolarHBondContact O-N 3.43Å; K108-Y110 VanDerWaalsContact C-N 3.35Å; K108-Y110 PolarHBondContact O-N 3.45Å; K108-K111 PolarHBondContact O-N 2.74Å; K108-E112 PolarHBondContact O-N 2.9Å
109L85.6Confident80Confident124 Ų124114.5 Ų114.565%0.64956%0.563SS**Hα-helixtrans-66.5-38.5-176.9-153.3157.3000111.2V105 Y106 E112 A113V105-L109 WeakPolarHBondContact O-CB 3.47Å; V105-L109 PolarHBondContact O-N 3.19Å; Y106-L109 PolarHBondContact O-N 3.38Å; L109-E112 PolarHBondContact O-N 3.33Å; L109-A113 WeakPolarHBondContact O-CB 3.11Å; L109-A113 PolarHBondContact O-N 3.13Å
110Y86.9Confident82.1Confident164 Ų164114.8 Ų114.864%0.64355%0.551SS**Hα-helixtrans-62.6-44.9171-174.2-89.6000112.5Y106 K108 E112 A113 E114Y106-Y110 VanDerWaalsContact O-CB 3.25Å; Y106-Y110 WeakPolarHBondContact O-CB 3.42Å; Y106-Y110 PolarHBondContact O-N 3.23Å; K108-Y110 VanDerWaalsContact C-N 3.35Å; K108-Y110 PolarHBondContact O-N 3.45Å; Y110-E112 VanDerWaalsContact C-N 3.31Å; Y110-E112 PolarHBondContact O-N 3.17Å; Y110-A113 PolarHBondContact O-N 3.18Å; Y110-E114 HydrophobicContact CD1-CG 4.27Å; Y110-E114 HydrophobicContact CE1-CG 3.84Å; Y110-E114 WeakPolarHBondContact O-CB 3.44Å; Y110-E114 PolarHBondContact O-N 3.37Å
111K87.9Confident84.1Confident132 Ų132113.1 Ų113.157%0.57455%0.548SS*.Hα-helixtrans-62.2-35.9176.6-77.9171.5-179.9176.70112.6S107 K108 E114 K115S107-K111 WeakPolarHBondContact O-CB 3.5Å; S107-K111 VanDerWaalsContact O-CG 3.24Å; S107-K111 WeakPolarHBondContact O-CG 3.29Å; S107-K111 PolarHBondContact O-N 3.06Å; K108-K111 PolarHBondContact O-N 2.74Å; K111-E114 WeakPolarHBondContact O-CB 3.33Å; K111-E114 PolarHBondContact O-N 3.44Å; K111-K115 WeakPolarHBondContact O-CG 3.48Å; K111-K115 PolarHBondContact O-N 3.44Å
112E88.4Confident85.6Confident94 Ų94112.7 Ų112.744%0.43954%0.54SS..Hα-helixtrans-74-37.9176-136.862.1-153.700112K108 L109 Y110 E114 K115 I116K108-E112 PolarHBondContact O-N 2.9Å; L109-E112 PolarHBondContact O-N 3.33Å; Y110-E112 VanDerWaalsContact C-N 3.31Å; Y110-E112 PolarHBondContact O-N 3.17Å; E112-E114 VanDerWaalsContact C-N 3.33Å; E112-E114 PolarHBondContact O-N 3.48Å; E112-K115 PolarHBondContact O-N 3.29Å; E112-K115 WeakPolarHBondContact OE1-CD 3.28Å; E112-K115 IonicContact OE1-NZ 2.59Å; E112-K115 PolarHBondContact OE1-NZ 3.3Å; E112-K115 IonicContact OE2-NZ 2.62Å; E112-K115 PolarHBondContact OE2-NZ 3.37Å; E112-I116 VanDerWaalsContact O-CG1 3.29Å; E112-I116 WeakPolarHBondContact O-CG1 3.34Å; E112-I116 PolarHBondContact O-N 2.76Å
113A88Confident87Confident52 Ų52109.9 Ų109.943%0.4353%0.525SS..Hα-helixtrans-62.1-38.7170.200000112.3L109 Y110 I116 K117L109-A113 WeakPolarHBondContact O-CB 3.11Å; L109-A113 PolarHBondContact O-N 3.13Å; Y110-A113 PolarHBondContact O-N 3.18Å; A113-I116 PolarHBondContact O-N 3.43Å; A113-K117 VanDerWaalsContact O-CB 3.26Å; A113-K117 WeakPolarHBondContact O-CB 3.42Å; A113-K117 PolarHBondContact O-N 3.46Å
114E88.8Confident88.2Confident52 Ų52110.7 Ų110.724%0.24352%0.52CS..Hα-helixtrans-60.4-44.9171.6-102.9-83.8111.600112.3Y110 K111 E112 K117 K118Y110-E114 HydrophobicContact CD1-CG 4.27Å; Y110-E114 HydrophobicContact CE1-CG 3.84Å; Y110-E114 WeakPolarHBondContact O-CB 3.44Å; Y110-E114 PolarHBondContact O-N 3.37Å; K111-E114 WeakPolarHBondContact O-CB 3.33Å; K111-E114 PolarHBondContact O-N 3.44Å; E112-E114 VanDerWaalsContact C-N 3.33Å; E112-E114 PolarHBondContact O-N 3.48Å; E114-K117 PolarHBondContact O-N 3.32Å; E114-K118 WeakPolarHBondContact O-CB 3.42Å; E114-K118 WeakPolarHBondContact O-CG 3.46Å; E114-K118 PolarHBondContact O-N 3.22Å; E114-K118 VanDerWaalsContact OE2-CE 3.26Å; E114-K118 WeakPolarHBondContact OE2-CE 3.47Å; E114-K118 IonicContact OE2-NZ 3.74Å; E114-K118 PolarHBondContact OE2-NZ 3.33Å
115K91.8Very high89Confident117 Ų117105.9 Ų105.951%0.50952%0.515SS..Hα-helixtrans-62.3-47173.1-73.5169.4179.7167.30111.9K111 E112 K117 K118 W119K111-K115 WeakPolarHBondContact O-CG 3.48Å; K111-K115 PolarHBondContact O-N 3.44Å; E112-K115 PolarHBondContact O-N 3.29Å; E112-K115 WeakPolarHBondContact OE1-CD 3.28Å; E112-K115 IonicContact OE1-NZ 2.59Å; E112-K115 PolarHBondContact OE1-NZ 3.3Å; E112-K115 IonicContact OE2-NZ 2.62Å; E112-K115 PolarHBondContact OE2-NZ 3.37Å; K115-K117 VanDerWaalsContact C-N 3.3Å; K115-K117 PolarHBondContact O-N 3.32Å; K115-K118 PolarHBondContact O-N 3.33Å; K115-W119 WeakPolarHBondContact O-CB 3.37Å; K115-W119 PolarHBondContact O-N 3.35Å
116I90.1Very high89.9Confident105 Ų105105.4 Ų105.454%0.53851%0.507SS..Hα-helixtrans-61.2-41.1179.1-68.6165000110.3E112 A113 K120E112-I116 VanDerWaalsContact O-CG1 3.29Å; E112-I116 WeakPolarHBondContact O-CG1 3.34Å; E112-I116 PolarHBondContact O-N 2.76Å; A113-I116 PolarHBondContact O-N 3.43Å; I116-K120 VanDerWaalsContact O-CB 3.23Å; I116-K120 WeakPolarHBondContact O-CB 3.48Å; I116-K120 PolarHBondContact O-N 3.11Å
117K92.3Very high90.8Very high132 Ų132102.6 Ų102.657%0.57450%0.502SS*.Hα-helixtrans-62.5-46.6173.9-177.2-176.2176.7-169.50111.8A113 E114 K115 K120 V121A113-K117 VanDerWaalsContact O-CB 3.26Å; A113-K117 WeakPolarHBondContact O-CB 3.42Å; A113-K117 PolarHBondContact O-N 3.46Å; E114-K117 PolarHBondContact O-N 3.32Å; K115-K117 VanDerWaalsContact C-N 3.3Å; K115-K117 PolarHBondContact O-N 3.32Å; K117-K120 PolarHBondContact O-N 3.14Å; K117-V121 WeakPolarHBondContact O-CG2 3.35Å; K117-V121 PolarHBondContact O-N 3.2Å
118K91.8Very high91.3Very high130 Ų130107.1 Ų107.157%0.56552%0.515SS*.Hα-helixtrans-63.9-44.1177.1-78164.7171.1163.40112.2E114 K115 V121 S122E114-K118 WeakPolarHBondContact O-CB 3.42Å; E114-K118 WeakPolarHBondContact O-CG 3.46Å; E114-K118 PolarHBondContact O-N 3.22Å; E114-K118 VanDerWaalsContact OE2-CE 3.26Å; E114-K118 WeakPolarHBondContact OE2-CE 3.47Å; E114-K118 IonicContact OE2-NZ 3.74Å; E114-K118 PolarHBondContact OE2-NZ 3.33Å; K115-K118 PolarHBondContact O-N 3.33Å; K118-V121 PolarHBondContact O-N 3.06Å; K118-S122 VanDerWaalsContact O-CB 3.29Å; K118-S122 WeakPolarHBondContact O-CB 3.42Å; K118-S122 PolarHBondContact O-N 3.28Å
119W94.9Very high91.7Very high171 Ų171104.8 Ų104.865%0.64851%0.507SS*.Hα-helixtrans-60.9-48.4173.7173.875.4000111.5K115 V121 S122 I123K115-W119 WeakPolarHBondContact O-CB 3.37Å; K115-W119 PolarHBondContact O-N 3.35Å; W119-V121 PolarHBondContact O-N 3.03Å; W119-S122 WeakPolarHBondContact O-CB 3.46Å; W119-S122 PolarHBondContact O-N 3.03Å; W119-I123 HydrophobicContact CD2-CG1 4.3Å; W119-I123 HydrophobicContact CG-CG1 4.44Å; W119-I123 HydrophobicContact CZ2-CG1 4.2Å; W119-I123 WeakPolarHBondContact O-CG1 3.41Å; W119-I123 PolarHBondContact O-N 3.5Å
120K94.8Very high92.1Very high113 Ų113104 Ų10449%0.49150%0.498SS..Hα-helixtrans-57.2-50.3176.9178.1173.3174.7176.30111.7I116 K117 S122 I123 E124I116-K120 VanDerWaalsContact O-CB 3.23Å; I116-K120 WeakPolarHBondContact O-CB 3.48Å; I116-K120 PolarHBondContact O-N 3.11Å; K117-K120 PolarHBondContact O-N 3.14Å; K120-S122 VanDerWaalsContact C-N 3.31Å; K120-S122 PolarHBondContact O-N 2.93Å; K120-I123 PolarHBondContact O-N 3.02Å; K120-E124 VanDerWaalsContact CE-CD 3.48Å; K120-E124 WeakPolarHBondContact CE-OE1 3.37Å; K120-E124 HydrophobicContact CG-CG 4.32Å; K120-E124 IonicContact NZ-OE1 3.29Å; K120-E124 WeakPolarHBondContact O-CB 3.49Å; K120-E124 VanDerWaalsContact O-CG 3.29Å; K120-E124 WeakPolarHBondContact O-CG 3.49Å; K120-E124 PolarHBondContact O-N 3.18Å
121V93.9Very high92.4Very high86 Ų8699.6 Ų99.652%0.52148%0.484SS..Hα-helixtrans-62.9-37.8177.7171.10000111.6K117 K118 W119 A125K117-V121 WeakPolarHBondContact O-CG2 3.35Å; K117-V121 PolarHBondContact O-N 3.2Å; K118-V121 PolarHBondContact O-N 3.06Å; W119-V121 PolarHBondContact O-N 3.03Å; V121-A125 VanDerWaalsContact O-CB 3.25Å; V121-A125 WeakPolarHBondContact O-CB 3.3Å; V121-A125 PolarHBondContact O-N 3.27Å
122S94.3Very high92.7Very high72 Ų7297.6 Ų97.650%0.50348%0.479SS..Hα-helixtrans-63.8-45.8176-169.20000111.8K118 W119 K120 A125 E126K118-S122 VanDerWaalsContact O-CB 3.29Å; K118-S122 WeakPolarHBondContact O-CB 3.42Å; K118-S122 PolarHBondContact O-N 3.28Å; W119-S122 WeakPolarHBondContact O-CB 3.46Å; W119-S122 PolarHBondContact O-N 3.03Å; K120-S122 VanDerWaalsContact C-N 3.31Å; K120-S122 PolarHBondContact O-N 2.93Å; S122-A125 PolarHBondContact O-N 3.43Å; S122-E126 WeakPolarHBondContact O-CB 3.45Å; S122-E126 PolarHBondContact O-N 3.43Å
123I94Very high93Very high59 Ų5998.2 Ų98.230%0.30348%0.48SS..Hα-helixtrans-69.5-40.1178.6-66.5-64.4000110.9W119 K120 A125 E126 L127W119-I123 HydrophobicContact CD2-CG1 4.3Å; W119-I123 HydrophobicContact CG-CG1 4.44Å; W119-I123 HydrophobicContact CZ2-CG1 4.2Å; W119-I123 WeakPolarHBondContact O-CG1 3.41Å; W119-I123 PolarHBondContact O-N 3.5Å; K120-I123 PolarHBondContact O-N 3.02Å; I123-A125 VanDerWaalsContact C-N 3.34Å; I123-A125 PolarHBondContact O-N 3.34Å; I123-E126 PolarHBondContact O-N 3.5Å; I123-L127 HydrophobicContact CG2-CD1 3.8Å; I123-L127 HydrophobicContact CG2-CG 4.24Å; I123-L127 VanDerWaalsContact O-CB 3.29Å; I123-L127 WeakPolarHBondContact O-CB 3.21Å; I123-L127 VanDerWaalsContact O-CG 3.24Å; I123-L127 WeakPolarHBondContact O-CG 3.37Å; I123-L127 PolarHBondContact O-N 2.96Å
124E93.1Very high93.3Very high98 Ų98100.1 Ų100.146%0.45848%0.483SS..Hα-helixtrans-63.3-39.2174.5-74.5174.1158.700111.7K120 K128K120-E124 VanDerWaalsContact CE-CD 3.48Å; K120-E124 WeakPolarHBondContact CE-OE1 3.37Å; K120-E124 HydrophobicContact CG-CG 4.32Å; K120-E124 IonicContact NZ-OE1 3.29Å; K120-E124 WeakPolarHBondContact O-CB 3.49Å; K120-E124 VanDerWaalsContact O-CG 3.29Å; K120-E124 WeakPolarHBondContact O-CG 3.49Å; K120-E124 PolarHBondContact O-N 3.18Å; E124-K128 VanDerWaalsContact O-CB 3.23Å; E124-K128 WeakPolarHBondContact O-CB 3.4Å; E124-K128 PolarHBondContact O-N 3.07Å
125A92.2Very high93.6Very high58 Ų58101.8 Ų101.848%0.47949%0.49SS..Hα-helixtrans-67.1-43.6174.100000112.3V121 S122 I123 K128 Q129V121-A125 VanDerWaalsContact O-CB 3.25Å; V121-A125 WeakPolarHBondContact O-CB 3.3Å; V121-A125 PolarHBondContact O-N 3.27Å; S122-A125 PolarHBondContact O-N 3.43Å; I123-A125 VanDerWaalsContact C-N 3.34Å; I123-A125 PolarHBondContact O-N 3.34Å; A125-K128 PolarHBondContact O-N 3.18Å; A125-Q129 WeakPolarHBondContact O-CB 3.21Å; A125-Q129 PolarHBondContact O-N 3.44Å
126E94.5Very high93.7Very high78 Ų78101.7 Ų101.736%0.36449%0.492SS..Hα-helixtrans-65.8-43.6177.6-165-163.214300111.8S122 I123 Q129 K130S122-E126 WeakPolarHBondContact O-CB 3.45Å; S122-E126 PolarHBondContact O-N 3.43Å; I123-E126 PolarHBondContact O-N 3.5Å; E126-Q129 PolarHBondContact O-N 2.88Å; E126-K130 HydrophobicContact CG-CD 4.41Å; E126-K130 WeakPolarHBondContact O-CB 3.49Å; E126-K130 WeakPolarHBondContact O-CG 3.48Å; E126-K130 PolarHBondContact O-N 3.23Å; E126-K130 VanDerWaalsContact OE1-CE 3.23Å; E126-K130 WeakPolarHBondContact OE1-CE 3.42Å; E126-K130 IonicContact OE1-NZ 2.66Å; E126-K130 PolarHBondContact OE1-NZ 3.38Å
127L93.9Very high93.9Very high106 Ų106100.6 Ų100.656%0.55549%0.487SS*.Hα-helixtrans-61.5-43.2174.2-74.5171.8000111.3I123 K130 E131I123-L127 HydrophobicContact CG2-CD1 3.8Å; I123-L127 HydrophobicContact CG2-CG 4.24Å; I123-L127 VanDerWaalsContact O-CB 3.29Å; I123-L127 WeakPolarHBondContact O-CB 3.21Å; I123-L127 VanDerWaalsContact O-CG 3.24Å; I123-L127 WeakPolarHBondContact O-CG 3.37Å; I123-L127 PolarHBondContact O-N 2.96Å; L127-K130 PolarHBondContact O-N 3.05Å; L127-E131 WeakPolarHBondContact O-CB 3.49Å; L127-E131 PolarHBondContact O-N 3.22Å
128K93.8Very high94.1Very high147 Ų147100.7 Ų100.764%0.63948%0.484SS*.Hα-helixtrans-65-38175.5-170.7173.1-176.6177.50112.1E124 A125 N132E124-K128 VanDerWaalsContact O-CB 3.23Å; E124-K128 WeakPolarHBondContact O-CB 3.4Å; E124-K128 PolarHBondContact O-N 3.07Å; A125-K128 PolarHBondContact O-N 3.18Å; K128-N132 WeakPolarHBondContact O-CB 3.42Å; K128-N132 PolarHBondContact O-N 3.32Å; K128-N132 PolarHBondContact O-OD1 3.31Å
129Q93.9Very high94.3Very high110 Ų110101.8 Ų101.851%0.51449%0.489SS..Hα-helixtrans-65.7-41.1173.9-164.9-165.841.300111.7A125 E126 K133A125-Q129 WeakPolarHBondContact O-CB 3.21Å; A125-Q129 PolarHBondContact O-N 3.44Å; E126-Q129 PolarHBondContact O-N 2.88Å; Q129-K133 WeakPolarHBondContact O-CG 3.41Å; Q129-K133 PolarHBondContact O-N 3.07Å; Q129-K133 VanDerWaalsContact O-N 3.09Å
130K94Very high94.3Very high109 Ų10997.4 Ų97.447%0.47448%0.477SS..Hα-helixtrans-65.8-44.4175.8-78.9171.8167.9172.40111.9E126 L127 K133 L134E126-K130 HydrophobicContact CG-CD 4.41Å; E126-K130 WeakPolarHBondContact O-CB 3.49Å; E126-K130 WeakPolarHBondContact O-CG 3.48Å; E126-K130 PolarHBondContact O-N 3.23Å; E126-K130 VanDerWaalsContact OE1-CE 3.23Å; E126-K130 WeakPolarHBondContact OE1-CE 3.42Å; E126-K130 IonicContact OE1-NZ 2.66Å; E126-K130 PolarHBondContact OE1-NZ 3.38Å; L127-K130 PolarHBondContact O-N 3.05Å; K130-K133 PolarHBondContact O-N 3.41Å; K130-L134 WeakPolarHBondContact O-CG 3.43Å; K130-L134 PolarHBondContact O-N 3.29Å
131E93.6Very high94.3Very high71 Ų7195.8 Ų95.833%0.33247%0.473SS..Hα-helixtrans-64.8-41.5176.3176.253.6-161.700111.8L127 K133 L134 Q135 R138L127-E131 WeakPolarHBondContact O-CB 3.49Å; L127-E131 PolarHBondContact O-N 3.22Å; E131-K133 VanDerWaalsContact C-N 3.35Å; E131-K133 PolarHBondContact O-N 2.83Å; E131-L134 CarbonylContact O-C 3.58Å; E131-L134 PolarHBondContact O-N 2.98Å; E131-L134 VanDerWaalsContact O-N 3.12Å; E131-Q135 WeakPolarHBondContact O-CG 3.35Å; E131-Q135 PolarHBondContact O-N 3.5Å; E131-Q135 VanDerWaalsContact OE1-CG 3.3Å; E131-Q135 WeakPolarHBondContact OE1-CG 3.49Å; E131-Q135 PolarHBondContact OE1-NE2 2.98Å; E131-R138 IonicContact OE1-CZ 3.78Å; E131-R138 IonicContact OE1-NH1 2.64Å; E131-R138 IonicContact OE1-NH2 3.44Å; E131-R138 PolarHBondContact OE1-NH2 3.06Å; E131-R138 IonicContact OE2-NH2 3.32Å; E131-R138 PolarHBondContact OE2-NH2 3.14Å
132N94.4Very high94.4Very high89 Ų8995.4 Ų95.448%0.47647%0.466SS..Hα-helixtrans-56.4-47.5172.8-75-0000111.6K128 L134 Q135 E136K128-N132 WeakPolarHBondContact O-CB 3.42Å; K128-N132 PolarHBondContact O-N 3.32Å; K128-N132 PolarHBondContact O-OD1 3.31Å; N132-L134 VanDerWaalsContact C-N 3.33Å; N132-L134 PolarHBondContact O-N 3.34Å; N132-Q135 PolarHBondContact O-N 2.96Å; N132-E136 WeakPolarHBondContact O-CB 3.45Å; N132-E136 PolarHBondContact O-N 2.72Å
133K95.3Very high94.4Very high108 Ų10894.9 Ų94.947%0.4747%0.465SS..Hα-helixtrans-62.3-37.1175.2-73.7174.8176.9178.20112.5Q129 K130 E131 E136 N137Q129-K133 WeakPolarHBondContact O-CG 3.41Å; Q129-K133 PolarHBondContact O-N 3.07Å; Q129-K133 VanDerWaalsContact O-N 3.09Å; K130-K133 PolarHBondContact O-N 3.41Å; E131-K133 VanDerWaalsContact C-N 3.35Å; E131-K133 PolarHBondContact O-N 2.83Å; K133-E136 PolarHBondContact O-N 2.81Å; K133-N137 WeakPolarHBondContact O-CB 3.37Å; K133-N137 PolarHBondContact O-N 3.24Å
134L94.2Very high94.5Very high91 Ų9197.4 Ų97.448%0.47648%0.476SS..Hα-helixtrans-69.1-33.7174.5-71.5170.8000112.2K130 E131 N132 R138K130-L134 WeakPolarHBondContact O-CG 3.43Å; K130-L134 PolarHBondContact O-N 3.29Å; E131-L134 CarbonylContact O-C 3.58Å; E131-L134 PolarHBondContact O-N 2.98Å; E131-L134 VanDerWaalsContact O-N 3.12Å; N132-L134 VanDerWaalsContact C-N 3.33Å; N132-L134 PolarHBondContact O-N 3.34Å; L134-R138 WeakPolarHBondContact O-CB 3.25Å; L134-R138 VanDerWaalsContact O-CG 3.3Å; L134-R138 WeakPolarHBondContact O-CG 3.34Å; L134-R138 PolarHBondContact O-N 3.33Å; L134-R138 PolarHBondContact O-NE 2.99Å
135Q94.4Very high94.6Very high87 Ų8799.6 Ų99.641%0.40748%0.48SS..Hα-helixtrans-71.1-39.4173.6-69.6-177.615.400111.9E131 N132 R138 K139E131-Q135 WeakPolarHBondContact O-CG 3.35Å; E131-Q135 PolarHBondContact O-N 3.5Å; E131-Q135 VanDerWaalsContact OE1-CG 3.3Å; E131-Q135 WeakPolarHBondContact OE1-CG 3.49Å; E131-Q135 PolarHBondContact OE1-NE2 2.98Å; N132-Q135 PolarHBondContact O-N 2.96Å; Q135-R138 VanDerWaalsContact CG-NH2 3.33Å; Q135-R138 PolarHBondContact O-N 3.45Å; Q135-K139 WeakPolarHBondContact O-CG 3.33Å; Q135-K139 PolarHBondContact O-N 3.07Å
136E93.9Very high94.8Very high115 Ų115101.8 Ų101.854%0.53748%0.479SS..Hα-helixtrans-62.2-50.6172.8-175.7169.2-149.300111.5N132 K133 R138 K139 I140N132-E136 WeakPolarHBondContact O-CB 3.45Å; N132-E136 PolarHBondContact O-N 2.72Å; K133-E136 PolarHBondContact O-N 2.81Å; E136-R138 VanDerWaalsContact C-N 3.29Å; E136-R138 PolarHBondContact O-N 3.33Å; E136-K139 WeakPolarHBondContact O-CB 3.38Å; E136-K139 PolarHBondContact O-N 3.5Å; E136-I140 HydrophobicContact CG-CD1 4.02Å; E136-I140 WeakPolarHBondContact O-CG1 3.39Å; E136-I140 PolarHBondContact O-N 2.9Å
137N95.2Very high94.8Very high83 Ų83100.2 Ų100.244%0.44448%0.479SS..Hα-helixtrans-57.8-39.5174.4-73.3-11.8000112.3K133 I140 I141K133-N137 WeakPolarHBondContact O-CB 3.37Å; K133-N137 PolarHBondContact O-N 3.24Å; N137-I140 PolarHBondContact O-N 3.15Å; N137-I141 WeakPolarHBondContact O-CB 3.44Å; N137-I141 WeakPolarHBondContact O-CD1 3.28Å; N137-I141 VanDerWaalsContact O-CG1 3.25Å; N137-I141 WeakPolarHBondContact O-CG1 3.46Å; N137-I141 PolarHBondContact O-N 3.18Å
138R95.6Very high94.9Very high133 Ų13399.7 Ų99.750%0.50248%0.476SS..Hα-helixtrans-62-41.1174-82.8172.8-76.8-171.3-0.9112E131 L134 Q135 E136 E142E131-R138 IonicContact OE1-CZ 3.78Å; E131-R138 IonicContact OE1-NH1 2.64Å; E131-R138 IonicContact OE1-NH2 3.44Å; E131-R138 PolarHBondContact OE1-NH2 3.06Å; E131-R138 IonicContact OE2-NH2 3.32Å; E131-R138 PolarHBondContact OE2-NH2 3.14Å; L134-R138 WeakPolarHBondContact O-CB 3.25Å; L134-R138 VanDerWaalsContact O-CG 3.3Å; L134-R138 WeakPolarHBondContact O-CG 3.34Å; L134-R138 PolarHBondContact O-N 3.33Å; L134-R138 PolarHBondContact O-NE 2.99Å; Q135-R138 VanDerWaalsContact CG-NH2 3.33Å; Q135-R138 PolarHBondContact O-N 3.45Å; E136-R138 VanDerWaalsContact C-N 3.29Å; E136-R138 PolarHBondContact O-N 3.33Å; R138-E142 WeakPolarHBondContact O-CB 3.21Å; R138-E142 PolarHBondContact O-N 2.91Å; R138-E142 VanDerWaalsContact O-N 3.08Å
139K95.6Very high95Very high153 Ų15398.5 Ų98.567%0.66547%0.473SS*.Hα-helixtrans-65.4-42.3174.5-69.6169.7-177.5177.90112.2Q135 E136 E142 A143Q135-K139 WeakPolarHBondContact O-CG 3.33Å; Q135-K139 PolarHBondContact O-N 3.07Å; E136-K139 WeakPolarHBondContact O-CB 3.38Å; E136-K139 PolarHBondContact O-N 3.5Å; K139-E142 PolarHBondContact O-N 3.1Å; K139-A143 WeakPolarHBondContact O-CB 3.2Å; K139-A143 PolarHBondContact O-N 3.5Å
140I95.3Very high95.1Very high79 Ų7999.9 Ų99.941%0.40548%0.479SS..Hα-helixtrans-64.5-47.5178.5-67166.8000110.9E136 N137 E142 A143 Q144E136-I140 HydrophobicContact CG-CD1 4.02Å; E136-I140 WeakPolarHBondContact O-CG1 3.39Å; E136-I140 PolarHBondContact O-N 2.9Å; N137-I140 PolarHBondContact O-N 3.15Å; I140-E142 VanDerWaalsContact C-N 3.29Å; I140-E142 PolarHBondContact O-N 2.92Å; I140-A143 PolarHBondContact O-N 3.36Å; I140-Q144 HydrophobicContact CG2-CG 4.44Å; I140-Q144 WeakPolarHBondContact O-CB 3.44Å; I140-Q144 WeakPolarHBondContact O-CG 3.4Å; I140-Q144 PolarHBondContact O-N 2.82Å
141I95.6Very high95.1Very high80 Ų80100.2 Ų100.241%0.4149%0.485SS..Hα-helixtrans-60.2-40.3177.2-70.8165.1000110.9N137 Q144 R145N137-I141 WeakPolarHBondContact O-CB 3.44Å; N137-I141 WeakPolarHBondContact O-CD1 3.28Å; N137-I141 VanDerWaalsContact O-CG1 3.25Å; N137-I141 WeakPolarHBondContact O-CG1 3.46Å; N137-I141 PolarHBondContact O-N 3.18Å; I141-Q144 PolarHBondContact O-N 3.31Å; I141-R145 WeakPolarHBondContact O-CB 3.42Å; I141-R145 VanDerWaalsContact O-CG 3.24Å; I141-R145 WeakPolarHBondContact O-CG 3.46Å; I141-R145 PolarHBondContact O-N 3.34Å
142E95.6Very high95.2Very high78 Ų78102.5 Ų102.536%0.36450%0.496SS..Hα-helixtrans-70.2-37.7178.6-171.758.1-160.600112.7R138 K139 I140 R145 K146R138-E142 WeakPolarHBondContact O-CB 3.21Å; R138-E142 PolarHBondContact O-N 2.91Å; R138-E142 VanDerWaalsContact O-N 3.08Å; K139-E142 PolarHBondContact O-N 3.1Å; I140-E142 VanDerWaalsContact C-N 3.29Å; I140-E142 PolarHBondContact O-N 2.92Å; E142-R145 PolarHBondContact O-N 3.17Å; E142-R145 IonicContact OE2-NH1 3.57Å; E142-K146 WeakPolarHBondContact O-CG 3.3Å; E142-K146 PolarHBondContact O-N 2.85Å; E142-K146 VanDerWaalsContact O-N 3.15Å; E142-K146 VanDerWaalsContact OE1-CE 3.25Å; E142-K146 WeakPolarHBondContact OE1-CE 3.49Å; E142-K146 IonicContact OE1-NZ 3.64Å
143A95.1Very high95.3Very high60 Ų60104.6 Ų104.650%0.49650%0.501SS..Hα-helixtrans-64.7-42.7171.700000111.9K139 I140 K146 A147K139-A143 WeakPolarHBondContact O-CB 3.2Å; K139-A143 PolarHBondContact O-N 3.5Å; I140-A143 PolarHBondContact O-N 3.36Å; A143-K146 PolarHBondContact O-N 3.39Å; A143-A147 PolarHBondContact O-N 3.47Å
144Q95.5Very high95.3Very high112 Ų112100.9 Ų100.952%0.52349%0.494SS..Hα-helixtrans-63.4-40.5175.6-74.6175.8-20.400112.2I140 I141 K146 A147 I148I140-Q144 HydrophobicContact CG2-CG 4.44Å; I140-Q144 WeakPolarHBondContact O-CB 3.44Å; I140-Q144 WeakPolarHBondContact O-CG 3.4Å; I140-Q144 PolarHBondContact O-N 2.82Å; I141-Q144 PolarHBondContact O-N 3.31Å; Q144-K146 PolarHBondContact O-N 3.05Å; Q144-A147 PolarHBondContact O-N 2.97Å; Q144-I148 WeakPolarHBondContact O-CB 3.27Å; Q144-I148 WeakPolarHBondContact O-CD1 3.44Å; Q144-I148 VanDerWaalsContact O-CG1 3.25Å; Q144-I148 WeakPolarHBondContact O-CG1 3.47Å; Q144-I148 PolarHBondContact O-N 2.76Å
145R95.6Very high95.3Very high145 Ų145101.6 Ų101.655%0.54750%0.498SS..Hα-helixtrans-59.3-45.2174.5-78.4166.3172-172.4-4.7112.1I141 E142 I148 Q149I141-R145 WeakPolarHBondContact O-CB 3.42Å; I141-R145 VanDerWaalsContact O-CG 3.24Å; I141-R145 WeakPolarHBondContact O-CG 3.46Å; I141-R145 PolarHBondContact O-N 3.34Å; E142-R145 PolarHBondContact O-N 3.17Å; E142-R145 IonicContact OE2-NH1 3.57Å; R145-I148 PolarHBondContact O-N 3.06Å; R145-Q149 WeakPolarHBondContact O-CG 3.4Å; R145-Q149 PolarHBondContact O-N 2.92Å
146K96.1Very high95.4Very high103 Ų103103 Ų10345%0.44850%0.504SS..Hα-helixtrans-65.1-45.5177.7-70.5176.2-177.6-178.10111.8E142 A143 Q144 I148 Q149 E150E142-K146 WeakPolarHBondContact O-CG 3.3Å; E142-K146 PolarHBondContact O-N 2.85Å; E142-K146 VanDerWaalsContact O-N 3.15Å; E142-K146 VanDerWaalsContact OE1-CE 3.25Å; E142-K146 WeakPolarHBondContact OE1-CE 3.49Å; E142-K146 IonicContact OE1-NZ 3.64Å; A143-K146 PolarHBondContact O-N 3.39Å; Q144-K146 PolarHBondContact O-N 3.05Å; K146-I148 VanDerWaalsContact C-N 3.29Å; K146-I148 PolarHBondContact O-N 2.93Å; K146-Q149 PolarHBondContact O-N 2.75Å; K146-Q149 VanDerWaalsContact O-N 3.11Å; K146-E150 WeakPolarHBondContact O-CB 3.42Å; K146-E150 WeakPolarHBondContact O-CG 3.38Å; K146-E150 PolarHBondContact O-N 3.05Å
147A95.1Very high95.5Very high46 Ų46103.4 Ų103.438%0.3851%0.505SS..Hα-helixtrans-59.1-38.3174.100000112.6A143 Q144 L151A143-A147 PolarHBondContact O-N 3.47Å; Q144-A147 PolarHBondContact O-N 2.97Å; A147-L151 WeakPolarHBondContact O-CB 3.41Å; A147-L151 VanDerWaalsContact O-CG 3.24Å; A147-L151 WeakPolarHBondContact O-CG 3.32Å; A147-L151 PolarHBondContact O-N 3.34Å
148I95.6Very high95.6Very high95 Ų95104.1 Ų104.149%0.48751%0.512SS..Hα-helixtrans-66.2-42.8174.3-71163.7000111.3Q144 R145 K146 L151 Q152Q144-I148 WeakPolarHBondContact O-CB 3.27Å; Q144-I148 WeakPolarHBondContact O-CD1 3.44Å; Q144-I148 VanDerWaalsContact O-CG1 3.25Å; Q144-I148 WeakPolarHBondContact O-CG1 3.47Å; Q144-I148 PolarHBondContact O-N 2.76Å; R145-I148 PolarHBondContact O-N 3.06Å; K146-I148 VanDerWaalsContact C-N 3.29Å; K146-I148 PolarHBondContact O-N 2.93Å; I148-L151 PolarHBondContact O-N 2.64Å; I148-Q152 HydrophobicContact CG2-CG 4.47Å; I148-Q152 WeakPolarHBondContact O-CB 3.23Å; I148-Q152 VanDerWaalsContact O-CG 3.25Å; I148-Q152 WeakPolarHBondContact O-CG 3.5Å; I148-Q152 PolarHBondContact O-N 3.49Å
149Q95.3Very high95.5Very high122 Ų122101.3 Ų101.357%0.5751%0.512SS*.Hα-helixtrans-64.6-41.8176.6-73.5172.2-27.600112.2R145 K146 Q152 F153R145-Q149 WeakPolarHBondContact O-CG 3.4Å; R145-Q149 PolarHBondContact O-N 2.92Å; K146-Q149 PolarHBondContact O-N 2.75Å; K146-Q149 VanDerWaalsContact O-N 3.11Å; Q149-Q152 PolarHBondContact O-N 3.48Å; Q149-F153 WeakPolarHBondContact O-CB 3.44Å; Q149-F153 PolarHBondContact O-N 3.35Å
150E95.1Very high95.6Very high139 Ų13999.1 Ų99.165%0.6551%0.507SS*.Hα-helixtrans-64.4-40.1175.5-72.9169.2-164.700111.8K146 G154K146-E150 WeakPolarHBondContact O-CB 3.42Å; K146-E150 WeakPolarHBondContact O-CG 3.38Å; K146-E150 PolarHBondContact O-N 3.05Å; E150-G154 PolarHBondContact O-N 2.67Å
151L95.9Very high95.6Very high115 Ų115101.8 Ų101.860%0.60252%0.516SS*.Hα-helixtrans-67.8-37.3173.1-73.8169.6000112.6A147 I148 G154 N155A147-L151 WeakPolarHBondContact O-CB 3.41Å; A147-L151 VanDerWaalsContact O-CG 3.24Å; A147-L151 WeakPolarHBondContact O-CG 3.32Å; A147-L151 PolarHBondContact O-N 3.34Å; I148-L151 PolarHBondContact O-N 2.64Å; L151-G154 PolarHBondContact O-N 3.49Å; L151-N155 WeakPolarHBondContact O-CB 3.36Å; L151-N155 VanDerWaalsContact O-CG 3.24Å; L151-N155 PolarHBondContact O-N 2.68Å; L151-N155 PolarHBondContact O-ND2 2.89Å
152Q94.7Very high95.7Very high120 Ų120103.2 Ų103.256%0.56152%0.524SS*.Hα-helixtrans-63.5-49.3174.7-77.4170.2-20.800111.1I148 Q149 G154 N155 E156I148-Q152 HydrophobicContact CG2-CG 4.47Å; I148-Q152 WeakPolarHBondContact O-CB 3.23Å; I148-Q152 VanDerWaalsContact O-CG 3.25Å; I148-Q152 WeakPolarHBondContact O-CG 3.5Å; I148-Q152 PolarHBondContact O-N 3.49Å; Q149-Q152 PolarHBondContact O-N 3.48Å; Q152-G154 VanDerWaalsContact C-N 3.33Å; Q152-G154 PolarHBondContact O-N 2.87Å; Q152-N155 PolarHBondContact O-N 3.49Å; Q152-E156 WeakPolarHBondContact O-CB 3.27Å; Q152-E156 PolarHBondContact O-N 2.91Å
153F95.6Very high95.7Very high133 Ų133104.4 Ų104.458%0.58353%0.53SS*.Hα-helixtrans-64.7-35.9175.8-176.4-111000112.5Q149 E156 K157Q149-F153 WeakPolarHBondContact O-CB 3.44Å; Q149-F153 PolarHBondContact O-N 3.35Å; F153-E156 PolarHBondContact O-N 3.15Å; F153-K157 VanDerWaalsContact O-CB 3.25Å; F153-K157 WeakPolarHBondContact O-CB 3.3Å; F153-K157 PolarHBondContact O-N 2.89Å
154G95.8Very high95.7Very high30 Ų30107.6 Ų107.631%0.30953%0.534SS..Hα-helixtrans-60.7-47.8171.900000112.4E150 L151 Q152 K157 V158E150-G154 PolarHBondContact O-N 2.67Å; L151-G154 PolarHBondContact O-N 3.49Å; Q152-G154 VanDerWaalsContact C-N 3.33Å; Q152-G154 PolarHBondContact O-N 2.87Å; G154-K157 PolarHBondContact O-N 3.36Å; G154-V158 WeakPolarHBondContact O-CG2 3.41Å; G154-V158 PolarHBondContact O-N 3.42Å
155N94.9Very high95.8Very high105 Ų105103.7 Ų103.756%0.56152%0.524SS*.Hα-helixtrans-65.2-40.1177-73.7-21.5000112.3L151 Q152 V158 S159L151-N155 WeakPolarHBondContact O-CB 3.36Å; L151-N155 VanDerWaalsContact O-CG 3.24Å; L151-N155 PolarHBondContact O-N 2.68Å; L151-N155 PolarHBondContact O-ND2 2.89Å; Q152-N155 PolarHBondContact O-N 3.49Å; N155-V158 PolarHBondContact O-N 3.41Å; N155-S159 WeakPolarHBondContact O-CB 3.49Å; N155-S159 PolarHBondContact O-N 2.88Å; N155-S159 PolarHBondContact O-OG 3.33Å
156E96.1Very high95.8Very high117 Ų117100 Ų10055%0.54751%0.514SS..Hα-helixtrans-60.7-49.4174-178.1174.9-150.200110.9Q152 F153 V158 S159 L160Q152-E156 WeakPolarHBondContact O-CB 3.27Å; Q152-E156 PolarHBondContact O-N 2.91Å; F153-E156 PolarHBondContact O-N 3.15Å; E156-V158 VanDerWaalsContact C-N 3.32Å; E156-V158 PolarHBondContact O-N 3.46Å; E156-S159 WeakPolarHBondContact O-CB 3.34Å; E156-S159 PolarHBondContact O-N 3.5Å; E156-S159 VanDerWaalsContact O-N 3.09Å; E156-L160 HydrophobicContact CG-CD1 4.35Å; E156-L160 WeakPolarHBondContact O-CG 3.39Å; E156-L160 PolarHBondContact O-N 2.88Å
157K96.3Very high95.8Very high124 Ų12498.7 Ų98.754%0.53951%0.51SS..Hα-helixtrans-61.9-35.1177.6-174.6174.1-177.6175.40113.4F153 G154 K161F153-K157 VanDerWaalsContact O-CB 3.25Å; F153-K157 WeakPolarHBondContact O-CB 3.3Å; F153-K157 PolarHBondContact O-N 2.89Å; G154-K157 PolarHBondContact O-N 3.36Å; K157-K161 WeakPolarHBondContact O-CG 3.46Å; K157-K161 PolarHBondContact O-N 2.9Å
158V96.9Very high95.8Very high98 Ų98102.6 Ų102.659%0.59452%0.52SS*.Hα-helixtrans-72.6-37.7173169.90000111.3G154 N155 E156 K161 L162G154-V158 WeakPolarHBondContact O-CG2 3.41Å; G154-V158 PolarHBondContact O-N 3.42Å; N155-V158 PolarHBondContact O-N 3.41Å; E156-V158 VanDerWaalsContact C-N 3.32Å; E156-V158 PolarHBondContact O-N 3.46Å; V158-K161 PolarHBondContact O-N 3.35Å; V158-L162 WeakPolarHBondContact O-CB 3.49Å; V158-L162 PolarHBondContact O-N 3.14Å
159S94.8Very high95.9Very high74 Ų74102.4 Ų102.452%0.51752%0.52SS..Hα-helixtrans-67.1-40.6178.2-57.50000112.1N155 E156 L162 E163N155-S159 WeakPolarHBondContact O-CB 3.49Å; N155-S159 PolarHBondContact O-N 2.88Å; N155-S159 PolarHBondContact O-OG 3.33Å; E156-S159 WeakPolarHBondContact O-CB 3.34Å; E156-S159 PolarHBondContact O-N 3.5Å; E156-S159 VanDerWaalsContact O-N 3.09Å; S159-L162 WeakPolarHBondContact O-CB 3.19Å; S159-L162 PolarHBondContact O-N 3.48Å; S159-E163 PolarHBondContact O-N 2.95Å
160L96Very high96Very high107 Ų107100.5 Ų100.556%0.5651%0.51SS*.Hα-helixtrans-60.2-48.7172.9-70.8170.5000111E156 L162 E163 E164E156-L160 HydrophobicContact CG-CD1 4.35Å; E156-L160 WeakPolarHBondContact O-CG 3.39Å; E156-L160 PolarHBondContact O-N 2.88Å; L160-L162 PolarHBondContact O-N 3.02Å; L160-E163 PolarHBondContact O-N 2.69Å; L160-E164 WeakPolarHBondContact O-CG 3.48Å; L160-E164 PolarHBondContact O-N 2.87Å
161K96.9Very high96Very high135 Ų13597.1 Ų97.159%0.58750%0.496SS*.Hα-helixtrans-60.4-31.5174.2-78.4-169.3166.4-145.50113.9K157 V158 G165K157-K161 WeakPolarHBondContact O-CG 3.46Å; K157-K161 PolarHBondContact O-N 2.9Å; V158-K161 PolarHBondContact O-N 3.35Å; K161-G165 PolarHBondContact O-N 3.18Å
162L96.2Very high96.1Very high110 Ų11095.7 Ų95.758%0.57649%0.489SS*.Hα-helixtrans-71.3-42.1176.3-17859.9000111.2V158 S159 L160 G165 I166V158-L162 WeakPolarHBondContact O-CB 3.49Å; V158-L162 PolarHBondContact O-N 3.14Å; S159-L162 WeakPolarHBondContact O-CB 3.19Å; S159-L162 PolarHBondContact O-N 3.48Å; L160-L162 PolarHBondContact O-N 3.02Å; L162-G165 PolarHBondContact O-N 2.99Å; L162-I166 HydrophobicContact CD1-CD1 4.1Å; L162-I166 HydrophobicContact CD1-CG1 4.37Å; L162-I166 HydrophobicContact CG-CD1 3.89Å; L162-I166 VanDerWaalsContact O-CB 3.25Å; L162-I166 WeakPolarHBondContact O-CB 3.43Å; L162-I166 WeakPolarHBondContact O-CD1 3.31Å; L162-I166 WeakPolarHBondContact O-CG1 3.31Å; L162-I166 PolarHBondContact O-N 3.17Å
163E95.9Very high96.2Very high103 Ų10394 Ų9448%0.48148%0.483SS..Hα-helixtrans-69.3-36.6174.1-17059.9-136.500111.9S159 L160 I166 Q167 K170S159-E163 PolarHBondContact O-N 2.95Å; L160-E163 PolarHBondContact O-N 2.69Å; E163-I166 PolarHBondContact O-N 3.34Å; E163-Q167 WeakPolarHBondContact O-CB 3.46Å; E163-Q167 PolarHBondContact O-N 2.89Å; E163-K170 IonicContact OE1-NZ 3.44Å; E163-K170 PolarHBondContact OE1-NZ 2.69Å
164E96.2Very high96.2Very high127 Ų12793.6 Ų93.659%0.59348%0.481SS*.Hα-helixtrans-55.2-53.2170.2-73.5170.6170.900111L160 I166 Q167 E168L160-E164 WeakPolarHBondContact O-CG 3.48Å; L160-E164 PolarHBondContact O-N 2.87Å; E164-I166 PolarHBondContact O-N 3.01Å; E164-Q167 PolarHBondContact O-N 3.27Å; E164-Q167 VanDerWaalsContact O-N 3.14Å; E164-E168 PolarHBondContact O-N 2.79Å
165G96.2Very high96.3Very high30 Ų3098 Ų9831%0.30949%0.493SS..Hα-helixtrans-67.9-30.6178.200000114K161 L162 N169K161-G165 PolarHBondContact O-N 3.18Å; L162-G165 PolarHBondContact O-N 2.99Å; G165-N169 VanDerWaalsContact O-CB 3.23Å; G165-N169 WeakPolarHBondContact O-CB 3.46Å; G165-N169 PolarHBondContact O-N 2.83Å
166I96Very high96.4Very high67 Ų6797.1 Ų97.134%0.34449%0.489SS..Hα-helixtrans-66.7-38.3170.8-79.1167.9000110.4L162 E163 E164 K170L162-I166 HydrophobicContact CD1-CD1 4.1Å; L162-I166 HydrophobicContact CD1-CG1 4.37Å; L162-I166 HydrophobicContact CG-CD1 3.89Å; L162-I166 VanDerWaalsContact O-CB 3.25Å; L162-I166 WeakPolarHBondContact O-CB 3.43Å; L162-I166 WeakPolarHBondContact O-CD1 3.31Å; L162-I166 WeakPolarHBondContact O-CG1 3.31Å; L162-I166 PolarHBondContact O-N 3.17Å; E163-I166 PolarHBondContact O-N 3.34Å; E164-I166 PolarHBondContact O-N 3.01Å; I166-K170 WeakPolarHBondContact O-CE 3.04Å; I166-K170 VanDerWaalsContact O-CG 3.28Å; I166-K170 WeakPolarHBondContact O-CG 3.25Å; I166-K170 PolarHBondContact O-N 3.48Å
167Q95.6Very high96.4Very high76 Ų7695.5 Ų95.536%0.35548%0.484SS..Hα-helixtrans-71-46175.8-175.654.545.600112.1E163 E164 N169 K170 D171E163-Q167 WeakPolarHBondContact O-CB 3.46Å; E163-Q167 PolarHBondContact O-N 2.89Å; E164-Q167 PolarHBondContact O-N 3.27Å; E164-Q167 VanDerWaalsContact O-N 3.14Å; Q167-N169 VanDerWaalsContact C-N 3.29Å; Q167-N169 PolarHBondContact O-N 3.44Å; Q167-K170 WeakPolarHBondContact O-CB 3.24Å; Q167-K170 PolarHBondContact O-N 2.72Å; Q167-K170 VanDerWaalsContact O-N 3.09Å; Q167-D171 PolarHBondContact NE2-OD2 3.36Å; Q167-D171 PolarHBondContact O-N 2.85Å; Q167-D171 VanDerWaalsContact O-N 3.08Å
168E96.6Very high96.5Very high128 Ų12892.5 Ų92.560%0.59848%0.482SS*.Hα-helixtrans-53.8-46.7172.7-175.9-178.9-170.100110.9E164 K170 D171 L172E164-E168 PolarHBondContact O-N 2.79Å; E168-K170 PolarHBondContact O-N 2.99Å; E168-D171 PolarHBondContact O-N 3.07Å; E168-D171 VanDerWaalsContact O-N 3.1Å; E168-L172 HydrophobicContact CG-CD1 4.04Å; E168-L172 HydrophobicContact CG-CG 4.41Å; E168-L172 WeakPolarHBondContact O-CG 3.44Å; E168-L172 PolarHBondContact O-N 3.2Å
169N96.7Very high96.5Very high91 Ų9191.7 Ų91.749%0.48748%0.477SS..Hα-helixtrans-62.7-39.7176.3-173.325.7000112.9G165 Q167 D171 I173G165-N169 VanDerWaalsContact O-CB 3.23Å; G165-N169 WeakPolarHBondContact O-CB 3.46Å; G165-N169 PolarHBondContact O-N 2.83Å; Q167-N169 VanDerWaalsContact C-N 3.29Å; Q167-N169 PolarHBondContact O-N 3.44Å; N169-D171 PolarHBondContact O-N 3.34Å; N169-I173 WeakPolarHBondContact O-CB 3.42Å; N169-I173 WeakPolarHBondContact O-CD1 3.4Å; N169-I173 WeakPolarHBondContact O-CG1 3.29Å; N169-I173 PolarHBondContact O-N 3.3Å
170K96.9Very high96.6Very high81 Ų8193.9 Ų93.935%0.35247%0.474SS..Hα-helixtrans-58.4-37.7173-69.2163.8-145.7154.60111.2E163 I166 Q167 E168 K174E163-K170 IonicContact OE1-NZ 3.44Å; E163-K170 PolarHBondContact OE1-NZ 2.69Å; I166-K170 WeakPolarHBondContact O-CE 3.04Å; I166-K170 VanDerWaalsContact O-CG 3.28Å; I166-K170 WeakPolarHBondContact O-CG 3.25Å; I166-K170 PolarHBondContact O-N 3.48Å; Q167-K170 WeakPolarHBondContact O-CB 3.24Å; Q167-K170 PolarHBondContact O-N 2.72Å; Q167-K170 VanDerWaalsContact O-N 3.09Å; E168-K170 PolarHBondContact O-N 2.99Å; K170-K174 WeakPolarHBondContact O-CG 3.23Å; K170-K174 PolarHBondContact O-N 3.11Å
171D96.1Very high96.7Very high68 Ų6895.1 Ų95.136%0.36448%0.477SS..Hα-helixtrans-80.8-40.2-177.7-67.8-40.2000112.5Q167 E168 N169 I173 K174 E175Q167-D171 PolarHBondContact NE2-OD2 3.36Å; Q167-D171 PolarHBondContact O-N 2.85Å; Q167-D171 VanDerWaalsContact O-N 3.08Å; E168-D171 PolarHBondContact O-N 3.07Å; E168-D171 VanDerWaalsContact O-N 3.1Å; N169-D171 PolarHBondContact O-N 3.34Å; D171-I173 VanDerWaalsContact C-N 3.26Å; D171-I173 PolarHBondContact O-N 3.21Å; D171-K174 WeakPolarHBondContact O-CB 3.48Å; D171-K174 PolarHBondContact O-N 2.95Å; D171-K174 WeakPolarHBondContact OD1-CD 3.36Å; D171-K174 WeakPolarHBondContact OD1-CE 3.41Å; D171-K174 IonicContact OD1-NZ 3.05Å; D171-K174 PolarHBondContact OD1-NZ 3.07Å; D171-E175 PolarHBondContact O-N 3.44Å
172L97.1Very high96.7Very high86 Ų8693.5 Ų93.545%0.4547%0.474SS..Hα-helixtrans-57.5-37.5167.9-71.5171.6000112E168 E175 N176E168-L172 HydrophobicContact CG-CD1 4.04Å; E168-L172 HydrophobicContact CG-CG 4.41Å; E168-L172 WeakPolarHBondContact O-CG 3.44Å; E168-L172 PolarHBondContact O-N 3.2Å; L172-E175 PolarHBondContact O-N 2.94Å; L172-N176 WeakPolarHBondContact O-CB 3.16Å; L172-N176 PolarHBondContact O-N 3.36Å
173I97Very high96.8Very high83 Ų8390.7 Ų90.743%0.42646%0.463SS..Hα-helixtrans-64.5-38.8173.9-73.1165000111.3N169 D171 N177N169-I173 WeakPolarHBondContact O-CB 3.42Å; N169-I173 WeakPolarHBondContact O-CD1 3.4Å; N169-I173 WeakPolarHBondContact O-CG1 3.29Å; N169-I173 PolarHBondContact O-N 3.3Å; D171-I173 VanDerWaalsContact C-N 3.26Å; D171-I173 PolarHBondContact O-N 3.21Å; I173-N177 VanDerWaalsContact O-CB 3.3Å; I173-N177 WeakPolarHBondContact O-CB 3.32Å; I173-N177 PolarHBondContact O-N 2.93Å; I173-N177 PolarHBondContact O-ND2 3.38Å; I173-N177 VanDerWaalsContact O-ND2 3.13Å
174K96.9Very high96.9Very high125 Ų12589 Ų8954%0.54346%0.458SS..Hα-helixtrans-64.2-46.7174.7-65165.7-165.1169.60111.2K170 D171 N177 A178K170-K174 WeakPolarHBondContact O-CG 3.23Å; K170-K174 PolarHBondContact O-N 3.11Å; D171-K174 WeakPolarHBondContact O-CB 3.48Å; D171-K174 PolarHBondContact O-N 2.95Å; D171-K174 WeakPolarHBondContact OD1-CD 3.36Å; D171-K174 WeakPolarHBondContact OD1-CE 3.41Å; D171-K174 IonicContact OD1-NZ 3.05Å; D171-K174 PolarHBondContact OD1-NZ 3.07Å; K174-N177 PolarHBondContact O-N 3.2Å; K174-A178 PolarHBondContact O-N 3.08Å
175E96.4Very high96.9Very high123 Ų12386.9 Ų86.958%0.57545%0.45SS*.Hα-helixtrans-62-45178.1-173.1-175.7172.900111.6D171 L172 N177 A178 T179D171-E175 PolarHBondContact O-N 3.44Å; L172-E175 PolarHBondContact O-N 2.94Å; E175-N177 VanDerWaalsContact C-N 3.31Å; E175-N177 PolarHBondContact O-N 2.83Å; E175-A178 PolarHBondContact O-N 3.14Å; E175-T179 WeakPolarHBondContact O-CB 3.39Å; E175-T179 PolarHBondContact O-N 3.4Å; E175-T179 PolarHBondContact O-OG1 3.3Å
176N97.1Very high97Very high87 Ų8790.2 Ų90.247%0.46546%0.46SS..Hα-helixtrans-62.8-37.7176.9-168.1-88.6000111.9L172 R180L172-N176 WeakPolarHBondContact O-CB 3.16Å; L172-N176 PolarHBondContact O-N 3.36Å; N176-R180 WeakPolarHBondContact O-CB 3.17Å; N176-R180 PolarHBondContact O-N 2.83Å; N176-R180 PolarHBondContact OD1-NH2 3.38Å
177N97.4Very high97.1Very high82 Ų8293 Ų9344%0.43947%0.47SS..Hα-helixtrans-67.5-42.6173.6-71.6-21.3000112.5I173 K174 E175 R180 H181I173-N177 VanDerWaalsContact O-CB 3.3Å; I173-N177 WeakPolarHBondContact O-CB 3.32Å; I173-N177 PolarHBondContact O-N 2.93Å; I173-N177 PolarHBondContact O-ND2 3.38Å; I173-N177 VanDerWaalsContact O-ND2 3.13Å; K174-N177 PolarHBondContact O-N 3.2Å; E175-N177 VanDerWaalsContact C-N 3.31Å; E175-N177 PolarHBondContact O-N 2.83Å; N177-R180 PolarHBondContact O-N 2.89Å; N177-R180 PolarHBondContact OD1-NH1 2.69Å; N177-H181 PolarHBondContact O-N 3.17Å
178A97.1Very high97.2Very high61 Ų6194.7 Ų94.750%0.50448%0.477SS..Hα-helixtrans-62.6-43.3174.300000111.6K174 E175 R180 H181 L182K174-A178 PolarHBondContact O-N 3.08Å; E175-A178 PolarHBondContact O-N 3.14Å; A178-R180 PolarHBondContact O-N 2.89Å; A178-H181 PolarHBondContact O-N 3.09Å; A178-L182 PolarHBondContact O-N 3.46Å
179T97.3Very high97.2Very high81 Ų8191.7 Ų91.750%0.49747%0.468SS..Hα-helixtrans-63.6-41.2176.6-58.40000111.6E175 L182 C183E175-T179 WeakPolarHBondContact O-CB 3.39Å; E175-T179 PolarHBondContact O-N 3.4Å; E175-T179 PolarHBondContact O-OG1 3.3Å; T179-L182 PolarHBondContact O-N 2.89Å; T179-C183 VanDerWaalsContact O-CB 3.28Å; T179-C183 WeakPolarHBondContact O-CB 3.42Å; T179-C183 PolarHBondContact O-N 3.04Å
180R97.3Very high97.3Very high120 Ų12091.5 Ų91.545%0.45347%0.473SS..Hα-helixtrans-63.7-40.9173.6-171.7-176.4-63.394.35.3111.8N176 N177 A178 C183 N184N176-R180 WeakPolarHBondContact O-CB 3.17Å; N176-R180 PolarHBondContact O-N 2.83Å; N176-R180 PolarHBondContact OD1-NH2 3.38Å; N177-R180 PolarHBondContact O-N 2.89Å; N177-R180 PolarHBondContact OD1-NH1 2.69Å; A178-R180 PolarHBondContact O-N 2.89Å; R180-C183 PolarHBondContact O-N 3.43Å; R180-N184 VanDerWaalsContact O-CG 3.28Å; R180-N184 PolarHBondContact O-N 2.67Å; R180-N184 PolarHBondContact O-OD1 2.9Å
181H97.4Very high97.3Very high134 Ų13489.8 Ų89.862%0.6247%0.474SS*.Hα-helixtrans-63.7-46.1176.3-179.855.2000111.8N177 A178 C183 N184 L185N177-H181 PolarHBondContact O-N 3.17Å; A178-H181 PolarHBondContact O-N 3.09Å; H181-C183 PolarHBondContact O-N 2.97Å; H181-N184 PolarHBondContact O-N 3.2Å; H181-L185 PolarHBondContact O-N 3.3Å
182L97.7Very high97.4Very high100 Ų10093.1 Ų93.152%0.52448%0.481SS..Hα-helixtrans-59.7-43.8173.4178.360.4000111.9A178 T179 N184 L185 L186A178-L182 PolarHBondContact O-N 3.46Å; T179-L182 PolarHBondContact O-N 2.89Å; L182-N184 VanDerWaalsContact C-N 3.32Å; L182-N184 PolarHBondContact O-N 3.04Å; L182-L185 PolarHBondContact O-N 3.49Å; L182-L186 HydrophobicContact CD1-CD1 4.2Å; L182-L186 HydrophobicContact CD1-CG 4.24Å; L182-L186 HydrophobicContact CG-CD1 4.04Å; L182-L186 WeakPolarHBondContact O-CB 3.43Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.35Å; L182-L186 PolarHBondContact O-N 2.96Å
183C97.5Very high97.4Very high51 Ų5192.2 Ų92.235%0.34548%0.482SS..Hα-helixtrans-60.4-39.7176.2-174.40000112.3T179 R180 H181 K187T179-C183 VanDerWaalsContact O-CB 3.28Å; T179-C183 WeakPolarHBondContact O-CB 3.42Å; T179-C183 PolarHBondContact O-N 3.04Å; R180-C183 PolarHBondContact O-N 3.43Å; H181-C183 PolarHBondContact O-N 2.97Å; C183-K187 WeakPolarHBondContact O-CB 3.46Å; C183-K187 VanDerWaalsContact O-CG 3.28Å; C183-K187 WeakPolarHBondContact O-CG 3.48Å; C183-K187 PolarHBondContact O-N 2.87Å; C183-K187 VanDerWaalsContact SG-CE 3.53Å; C183-K187 PolarHBondContact SG-NZ 2.87Å
184N97.5Very high97.4Very high69 Ų6990.6 Ų90.637%0.36948%0.481SS..Hα-helixtrans-67.3-46.7175.6-70.7-4000111.5R180 H181 L182 L186 K187 E188R180-N184 VanDerWaalsContact O-CG 3.28Å; R180-N184 PolarHBondContact O-N 2.67Å; R180-N184 PolarHBondContact O-OD1 2.9Å; H181-N184 PolarHBondContact O-N 3.2Å; L182-N184 VanDerWaalsContact C-N 3.32Å; L182-N184 PolarHBondContact O-N 3.04Å; N184-L186 VanDerWaalsContact C-N 3.29Å; N184-L186 PolarHBondContact O-N 3.39Å; N184-K187 WeakPolarHBondContact O-CB 3.32Å; N184-K187 PolarHBondContact O-N 3.47Å; N184-K187 VanDerWaalsContact O-N 3.11Å; N184-E188 WeakPolarHBondContact O-CG 3.28Å; N184-E188 PolarHBondContact O-N 2.94Å
185L98Very high97.4Very high82 Ų8290.8 Ų90.843%0.42948%0.484SS..Hα-helixtrans-59.8-38.8176.3-178.962.6000112.2H181 L182 T189H181-L185 PolarHBondContact O-N 3.3Å; L182-L185 PolarHBondContact O-N 3.49Å; L185-T189 VanDerWaalsContact O-CB 3.29Å; L185-T189 WeakPolarHBondContact O-CB 3.5Å; L185-T189 PolarHBondContact O-N 2.85Å; L185-T189 PolarHBondContact O-OG1 3.08Å
186L97.6Very high97.4Very high100 Ų10090.5 Ų90.552%0.52448%0.481SS..Hα-helixtrans-66-44.6173.4-70.5168.7000111.4L182 N184 T189 C190L182-L186 HydrophobicContact CD1-CD1 4.2Å; L182-L186 HydrophobicContact CD1-CG 4.24Å; L182-L186 HydrophobicContact CG-CD1 4.04Å; L182-L186 WeakPolarHBondContact O-CB 3.43Å; L182-L186 VanDerWaalsContact O-CG 3.3Å; L182-L186 WeakPolarHBondContact O-CG 3.35Å; L182-L186 PolarHBondContact O-N 2.96Å; N184-L186 VanDerWaalsContact C-N 3.29Å; N184-L186 PolarHBondContact O-N 3.39Å; L186-T189 PolarHBondContact O-N 3.41Å; L186-C190 WeakPolarHBondContact O-CB 3.4Å; L186-C190 PolarHBondContact O-N 3.29Å; L186-C190 PolarHBondContact O-SG 3.42Å
187K98Very high97.4Very high126 Ų12689.6 Ų89.655%0.54848%0.479SS..Hα-helixtrans-59.4-47.7175.3-76165.3179.1167.10112.3C183 N184 T189 C190 A191C183-K187 WeakPolarHBondContact O-CB 3.46Å; C183-K187 VanDerWaalsContact O-CG 3.28Å; C183-K187 WeakPolarHBondContact O-CG 3.48Å; C183-K187 PolarHBondContact O-N 2.87Å; C183-K187 VanDerWaalsContact SG-CE 3.53Å; C183-K187 PolarHBondContact SG-NZ 2.87Å; N184-K187 WeakPolarHBondContact O-CB 3.32Å; N184-K187 PolarHBondContact O-N 3.47Å; N184-K187 VanDerWaalsContact O-N 3.11Å; K187-T189 VanDerWaalsContact C-N 3.27Å; K187-T189 PolarHBondContact O-N 2.89Å; K187-C190 PolarHBondContact O-N 3.34Å; K187-A191 WeakPolarHBondContact O-CB 3.48Å; K187-A191 PolarHBondContact O-N 2.78Å
188E97.7Very high97.4Very high110 Ų11092.8 Ų92.851%0.51449%0.489SS..Hα-helixtrans-61.7-35175.9-71.9169.6-153.700112.2N184 R192N184-E188 WeakPolarHBondContact O-CG 3.28Å; N184-E188 PolarHBondContact O-N 2.94Å; E188-R192 WeakPolarHBondContact O-CB 3.38Å; E188-R192 VanDerWaalsContact O-CG 3.28Å; E188-R192 WeakPolarHBondContact O-CG 3.26Å; E188-R192 PolarHBondContact O-N 3.42Å; E188-R192 VanDerWaalsContact O-N 3.12Å; E188-R192 PolarHBondContact O-NE 3.06Å
189T97.3Very high97.5Very high66 Ų6695.9 Ų95.941%0.40549%0.491SS..Hα-helixtrans-73.1-42.1176.9-57.10000111.4L185 L186 K187 R192 S193L185-T189 VanDerWaalsContact O-CB 3.29Å; L185-T189 WeakPolarHBondContact O-CB 3.5Å; L185-T189 PolarHBondContact O-N 2.85Å; L185-T189 PolarHBondContact O-OG1 3.08Å; L186-T189 PolarHBondContact O-N 3.41Å; K187-T189 VanDerWaalsContact C-N 3.27Å; K187-T189 PolarHBondContact O-N 2.89Å; T189-R192 PolarHBondContact OG1-NH2 3.14Å; T189-S193 WeakPolarHBondContact O-CB 3.34Å; T189-S193 PolarHBondContact O-N 3.1Å
190C97Very high97.5Very high86 Ų8698 Ų9858%0.58149%0.491SS*.Hα-helixtrans-64-42173.8-69.10000112.2L186 K187 S193 A194L186-C190 WeakPolarHBondContact O-CB 3.4Å; L186-C190 PolarHBondContact O-N 3.29Å; L186-C190 PolarHBondContact O-SG 3.42Å; K187-C190 PolarHBondContact O-N 3.34Å; C190-S193 PolarHBondContact O-N 2.85Å; C190-A194 WeakPolarHBondContact O-CB 3.42Å; C190-A194 PolarHBondContact O-N 2.62Å
191A97.4Very high97.4Very high46 Ų4696.5 Ų96.538%0.3849%0.489SS..Hα-helixtrans-61.3-55176.800000111.5K187 S193 A194 E195K187-A191 WeakPolarHBondContact O-CB 3.48Å; K187-A191 PolarHBondContact O-N 2.78Å; A191-S193 PolarHBondContact O-N 3.3Å; A191-A194 PolarHBondContact O-N 2.62Å; A191-A194 VanDerWaalsContact O-N 3.09Å; A191-E195 WeakPolarHBondContact O-CG 3.22Å; A191-E195 PolarHBondContact O-N 3.39Å
192R97.5Very high97.4Very high137 Ų13797.6 Ų97.652%0.51749%0.488SS..Hα-helixtrans-59.2-33.7176.1-71175.7-65.1161.5-0.1112.6E188 T189 K196E188-R192 WeakPolarHBondContact O-CB 3.38Å; E188-R192 VanDerWaalsContact O-CG 3.28Å; E188-R192 WeakPolarHBondContact O-CG 3.26Å; E188-R192 PolarHBondContact O-N 3.42Å; E188-R192 VanDerWaalsContact O-N 3.12Å; E188-R192 PolarHBondContact O-NE 3.06Å; T189-R192 PolarHBondContact OG1-NH2 3.14Å; R192-K196 WeakPolarHBondContact O-CB 3.46Å; R192-K196 PolarHBondContact O-N 3.14Å; R192-K196 VanDerWaalsContact O-N 3.07Å
193S97.1Very high97.3Very high68 Ų6895.9 Ų95.948%0.47648%0.478SS..Hα-helixtrans-68.2-45.7174.6-166.30000111.6T189 C190 A191 K196 T197T189-S193 WeakPolarHBondContact O-CB 3.34Å; T189-S193 PolarHBondContact O-N 3.1Å; C190-S193 PolarHBondContact O-N 2.85Å; A191-S193 PolarHBondContact O-N 3.3Å; S193-K196 PolarHBondContact O-N 2.91Å; S193-T197 PolarHBondContact O-N 3.1Å; S193-T197 PolarHBondContact O-OG1 3.46Å; S193-T197 VanDerWaalsContact O-OG1 3.12Å
194A97.3Very high97.3Very high48 Ų4899.1 Ų99.140%0.39748%0.483SS..Hα-helixtrans-65.8-41.3178.700000112.6C190 A191 K196 T197 K198C190-A194 WeakPolarHBondContact O-CB 3.42Å; C190-A194 PolarHBondContact O-N 2.62Å; A191-A194 PolarHBondContact O-N 2.62Å; A191-A194 VanDerWaalsContact O-N 3.09Å; A194-K196 VanDerWaalsContact C-N 3.35Å; A194-T197 PolarHBondContact O-N 2.77Å; A194-K198 WeakPolarHBondContact O-CG 3.49Å; A194-K198 PolarHBondContact O-N 2.85Å
195E97Very high97.2Very high129 Ų129100.5 Ų100.560%0.60349%0.487SS*.Hα-helixtrans-60.1-44.4172.1-71.6166.3-178.900111.5A191 K198 K199A191-E195 WeakPolarHBondContact O-CG 3.22Å; A191-E195 PolarHBondContact O-N 3.39Å; E195-K198 PolarHBondContact O-N 3.25Å; E195-K199 PolarHBondContact O-N 3.49Å
196K98.1Very high97.1Very high117 Ų117101.6 Ų101.651%0.50949%0.49SS..Hα-helixtrans-66-40.6177.9-175.1176.2-177.3-178.70112.7R192 S193 A194 K199 Y200R192-K196 WeakPolarHBondContact O-CB 3.46Å; R192-K196 PolarHBondContact O-N 3.14Å; R192-K196 VanDerWaalsContact O-N 3.07Å; S193-K196 PolarHBondContact O-N 2.91Å; A194-K196 VanDerWaalsContact C-N 3.35Å; K196-K199 PolarHBondContact O-N 2.92Å; K196-Y200 HydrophobicContact CD-CE2 4.19Å; K196-Y200 WeakPolarHBondContact CE-OH 3.49Å; K196-Y200 HydrophobicContact CG-CD2 4.21Å; K196-Y200 HydrophobicContact CG-CE2 3.69Å; K196-Y200 WeakPolarHBondContact O-CD2 3.16Å; K196-Y200 PolarHBondContact O-N 3.45Å
197T96.7Very high97Very high69 Ų69100.4 Ų100.442%0.42349%0.487SS..Hα-helixtrans-61.5-48.9173-62.90000110.6S193 A194 K199 Y200 E201S193-T197 PolarHBondContact O-N 3.1Å; S193-T197 PolarHBondContact O-OG1 3.46Å; S193-T197 VanDerWaalsContact O-OG1 3.12Å; A194-T197 PolarHBondContact O-N 2.77Å; T197-K199 VanDerWaalsContact C-N 3.27Å; T197-K199 PolarHBondContact O-N 3.01Å; T197-Y200 CarbonylContact O-C 3.58Å; T197-Y200 PolarHBondContact O-N 3.01Å; T197-E201 HydrophobicContact CG2-CG 4.35Å; T197-E201 WeakPolarHBondContact O-CG 3.41Å; T197-E201 PolarHBondContact O-N 3.3Å
198K97.7Very high96.9Very high148 Ų14899.4 Ų99.464%0.64348%0.48SS*.Hα-helixtrans-57.2-39175.8-73.9174.8178.4-176.10112.7A194 E195 E201 Y202A194-K198 WeakPolarHBondContact O-CG 3.49Å; A194-K198 PolarHBondContact O-N 2.85Å; E195-K198 PolarHBondContact O-N 3.25Å; K198-E201 PolarHBondContact O-N 2.99Å; K198-Y202 WeakPolarHBondContact O-CB 3.44Å; K198-Y202 PolarHBondContact O-N 3.34Å
199K97.7Very high96.8Very high127 Ų12798.8 Ų98.855%0.55248%0.477SS*.Hα-helixtrans-63.1-44.4175-163.5-178.2-167.2-70.20111.7E195 K196 T197 E201 Y202 E203E195-K199 PolarHBondContact O-N 3.49Å; K196-K199 PolarHBondContact O-N 2.92Å; T197-K199 VanDerWaalsContact C-N 3.27Å; T197-K199 PolarHBondContact O-N 3.01Å; K199-E201 VanDerWaalsContact C-N 3.33Å; K199-E201 PolarHBondContact O-N 2.82Å; K199-Y202 PolarHBondContact O-N 2.66Å; K199-E203 IonicContact NZ-OE1 3.4Å; K199-E203 PolarHBondContact NZ-OE1 3.25Å; K199-E203 WeakPolarHBondContact O-CB 3.35Å; K199-E203 VanDerWaalsContact O-CG 3.31Å; K199-E203 WeakPolarHBondContact O-CG 3.48Å; K199-E203 PolarHBondContact O-N 2.81Å
200Y97.2Very high96.8Very high126 Ų126100.2 Ų100.249%0.49449%0.485SS..Hα-helixtrans-67.2-31.4175-66.1-36.4000113.3K196 T197 E203 R204K196-Y200 HydrophobicContact CD-CE2 4.19Å; K196-Y200 WeakPolarHBondContact CE-OH 3.49Å; K196-Y200 HydrophobicContact CG-CD2 4.21Å; K196-Y200 HydrophobicContact CG-CE2 3.69Å; K196-Y200 WeakPolarHBondContact O-CD2 3.16Å; K196-Y200 PolarHBondContact O-N 3.45Å; T197-Y200 CarbonylContact O-C 3.58Å; T197-Y200 PolarHBondContact O-N 3.01Å; Y200-E203 WeakPolarHBondContact CD1-OE2 3.39Å; Y200-R204 WeakPolarHBondContact O-CB 2.81Å; Y200-R204 PolarHBondContact O-N 3.44Å
201E96.7Very high96.8Very high87 Ų87103.9 Ų103.941%0.40749%0.488SS..Hα-helixtrans-69.2-40.7173.9-69.9176.4137.200111.5T197 K198 K199 R204 E205T197-E201 HydrophobicContact CG2-CG 4.35Å; T197-E201 WeakPolarHBondContact O-CG 3.41Å; T197-E201 PolarHBondContact O-N 3.3Å; K198-E201 PolarHBondContact O-N 2.99Å; K199-E201 VanDerWaalsContact C-N 3.33Å; K199-E201 PolarHBondContact O-N 2.82Å; E201-R204 PolarHBondContact O-N 3.28Å; E201-E205 PolarHBondContact O-N 2.89Å; E201-E205 VanDerWaalsContact O-N 3.09Å
202Y96.9Very high96.8Very high157 Ų157107 Ų10762%0.61650%0.496SS*.Hα-helixtrans-62.8-53.5172.4-177.1-82.2000111.8K198 K199 R204 E205 E206K198-Y202 WeakPolarHBondContact O-CB 3.44Å; K198-Y202 PolarHBondContact O-N 3.34Å; K199-Y202 PolarHBondContact O-N 2.66Å; Y202-R204 PolarHBondContact O-N 3.33Å; Y202-E205 PolarHBondContact O-N 2.82Å; Y202-E206 HydrophobicContact CE1-CB 4.31Å; Y202-E206 WeakPolarHBondContact O-CB 3.36Å; Y202-E206 PolarHBondContact O-N 2.93Å
203E96.5Very high96.7Very high64 Ų64104.1 Ų104.130%0.29949%0.49SS..Hα-helixtrans-55.3-37.8178-74168.8-169.600111.8K199 Y200 T207K199-E203 IonicContact NZ-OE1 3.4Å; K199-E203 PolarHBondContact NZ-OE1 3.25Å; K199-E203 WeakPolarHBondContact O-CB 3.35Å; K199-E203 VanDerWaalsContact O-CG 3.31Å; K199-E203 WeakPolarHBondContact O-CG 3.48Å; K199-E203 PolarHBondContact O-N 2.81Å; Y200-E203 WeakPolarHBondContact CD1-OE2 3.39Å; E203-T207 VanDerWaalsContact O-CB 3.28Å; E203-T207 WeakPolarHBondContact O-CB 3.48Å; E203-T207 PolarHBondContact O-N 2.87Å; E203-T207 PolarHBondContact O-OG1 2.94Å
204R96.2Very high96.7Very high119 Ų119105.1 Ų105.145%0.44949%0.49SS..Hα-helixtrans-74.6-21.3177.5-170.3-160.764.1-146.4-10.8113.1Y200 E201 Y202 R208Y200-R204 WeakPolarHBondContact O-CB 2.81Å; Y200-R204 PolarHBondContact O-N 3.44Å; E201-R204 PolarHBondContact O-N 3.28Å; Y202-R204 PolarHBondContact O-N 3.33Å; R204-R208 WeakPolarHBondContact O-CG 3.43Å; R204-R208 PolarHBondContact O-N 2.83Å; R204-R208 PolarHBondContact O-NH1 2.83Å
205E95.9Very high96.7Very high99 Ų99106.4 Ų106.446%0.46349%0.49SS..Hα-helixtrans-88.8-41.5175.1-14560.8-138.300111.2E201 Y202 T207 R208 Q209E201-E205 PolarHBondContact O-N 2.89Å; E201-E205 VanDerWaalsContact O-N 3.09Å; Y202-E205 PolarHBondContact O-N 2.82Å; E205-T207 VanDerWaalsContact C-N 3.29Å; E205-T207 PolarHBondContact O-N 3.01Å; E205-R208 WeakPolarHBondContact O-CA 3.42Å; E205-R208 WeakPolarHBondContact O-CB 3.42Å; E205-R208 PolarHBondContact O-N 3.32Å; E205-R208 WeakPolarHBondContact OE1-CD 3.36Å; E205-R208 IonicContact OE1-NH1 3.66Å; E205-R208 IonicContact OE2-CZ 2.6Å; E205-R208 IonicContact OE2-NH1 2.63Å; E205-R208 PolarHBondContact OE2-NH1 3.45Å; E205-Q209 PolarHBondContact O-N 3.33Å
206E96.2Very high96.7Very high105 Ų105103.5 Ų103.549%0.49148%0.479SS..Hα-helixtrans-53.9-46.1167.2-179.3172.8-139.500111Y202 R208 Q209 V210Y202-E206 HydrophobicContact CE1-CB 4.31Å; Y202-E206 WeakPolarHBondContact O-CB 3.36Å; Y202-E206 PolarHBondContact O-N 2.93Å; E206-R208 VanDerWaalsContact C-N 3.34Å; E206-R208 PolarHBondContact O-N 3.26Å; E206-Q209 PolarHBondContact O-N 3.04Å; E206-V210 WeakPolarHBondContact O-CG2 3.12Å; E206-V210 PolarHBondContact O-N 2.65Å
207T95.1Very high96.7Very high74 Ų74102.7 Ų102.745%0.45448%0.48SS..Hα-helixtrans-60.6-38.8173.3-58.80000112.5E203 E205 Y211E203-T207 VanDerWaalsContact O-CB 3.28Å; E203-T207 WeakPolarHBondContact O-CB 3.48Å; E203-T207 PolarHBondContact O-N 2.87Å; E203-T207 PolarHBondContact O-OG1 2.94Å; E205-T207 VanDerWaalsContact C-N 3.29Å; E205-T207 PolarHBondContact O-N 3.01Å; T207-Y211 HydrophobicContact CG2-CD2 3.88Å; T207-Y211 HydrophobicContact CG2-CE2 3.76Å; T207-Y211 WeakPolarHBondContact O-CD2 3.48Å; T207-Y211 PolarHBondContact O-N 3.03Å; T207-Y211 VanDerWaalsContact O-N 3.09Å
208R96.4Very high96.8Very high106 Ų106103 Ų10340%0.448%0.478SS..Hα-helixtrans-67.4-42.7176.4-81.9-175.5-166.894.2-15.2111.9R204 E205 E206 V210 Y211 M212R204-R208 WeakPolarHBondContact O-CG 3.43Å; R204-R208 PolarHBondContact O-N 2.83Å; R204-R208 PolarHBondContact O-NH1 2.83Å; E205-R208 WeakPolarHBondContact O-CA 3.42Å; E205-R208 WeakPolarHBondContact O-CB 3.42Å; E205-R208 PolarHBondContact O-N 3.32Å; E205-R208 WeakPolarHBondContact OE1-CD 3.36Å; E205-R208 IonicContact OE1-NH1 3.66Å; E205-R208 IonicContact OE2-CZ 2.6Å; E205-R208 IonicContact OE2-NH1 2.63Å; E205-R208 PolarHBondContact OE2-NH1 3.45Å; E206-R208 VanDerWaalsContact C-N 3.34Å; E206-R208 PolarHBondContact O-N 3.26Å; R208-V210 VanDerWaalsContact C-N 3.34Å; R208-V210 PolarHBondContact O-N 3.17Å; R208-Y211 PolarHBondContact O-N 3.28Å; R208-Y211 VanDerWaalsContact O-N 3.15Å; R208-M212 WeakPolarHBondContact O-CG 3.49Å; R208-M212 PolarHBondContact O-N 3.4Å
209Q96.1Very high96.7Very high97 Ų97101.1 Ų101.145%0.45347%0.472SS..Hα-helixtrans-58.7-48.8178-173.656.652.800110E205 E206 Y211 M212 D213E205-Q209 PolarHBondContact O-N 3.33Å; E206-Q209 PolarHBondContact O-N 3.04Å; Q209-Y211 VanDerWaalsContact C-N 3.31Å; Q209-Y211 PolarHBondContact O-N 2.93Å; Q209-M212 WeakPolarHBondContact O-CB 3.19Å; Q209-M212 PolarHBondContact O-N 2.81Å; Q209-D213 WeakPolarHBondContact CG-OD2 3.32Å; Q209-D213 PolarHBondContact NE2-OD1 3.45Å; Q209-D213 PolarHBondContact NE2-OD2 3.15Å; Q209-D213 PolarHBondContact O-N 3.02Å; Q209-D213 VanDerWaalsContact O-OD2 3.12Å
210V96.9Very high96.7Very high95 Ų95102.1 Ų102.158%0.57648%0.476SS*.Hα-helixtrans-58.3-38.8174.6173.80000112.6E206 R208 L214E206-V210 WeakPolarHBondContact O-CG2 3.12Å; E206-V210 PolarHBondContact O-N 2.65Å; R208-V210 VanDerWaalsContact C-N 3.34Å; R208-V210 PolarHBondContact O-N 3.17Å; V210-L214 VanDerWaalsContact O-CB 3.25Å; V210-L214 WeakPolarHBondContact O-CB 3.42Å; V210-L214 PolarHBondContact O-N 3.13Å
211Y96.2Very high96.7Very high164 Ų164100.6 Ų100.664%0.64348%0.475SS*.Hα-helixtrans-67.3-37.2173.2-87.5-63.7000113.4T207 R208 Q209 N215T207-Y211 HydrophobicContact CG2-CD2 3.88Å; T207-Y211 HydrophobicContact CG2-CE2 3.76Å; T207-Y211 WeakPolarHBondContact O-CD2 3.48Å; T207-Y211 PolarHBondContact O-N 3.03Å; T207-Y211 VanDerWaalsContact O-N 3.09Å; R208-Y211 PolarHBondContact O-N 3.28Å; R208-Y211 VanDerWaalsContact O-N 3.15Å; Q209-Y211 VanDerWaalsContact C-N 3.31Å; Q209-Y211 PolarHBondContact O-N 2.93Å; Y211-N215 WeakPolarHBondContact O-CB 3.19Å; Y211-N215 PolarHBondContact O-N 2.85Å
212M96.6Very high96.7Very high111 Ų111100.7 Ų100.755%0.54748%0.481SS..Hα-helixtrans-67.5-42.8175.5-72.5177.360.200111.1R208 Q209 N215 N216R208-M212 WeakPolarHBondContact O-CG 3.49Å; R208-M212 PolarHBondContact O-N 3.4Å; Q209-M212 WeakPolarHBondContact O-CB 3.19Å; Q209-M212 PolarHBondContact O-N 2.81Å; M212-N215 PolarHBondContact O-N 2.89Å; M212-N216 WeakPolarHBondContact O-CB 3.48Å; M212-N216 PolarHBondContact O-N 3.02Å; M212-N216 PolarHBondContact O-ND2 3.16Å; M212-N216 VanDerWaalsContact O-ND2 3.17Å
213D96.4Very high96.7Very high76 Ų7696.8 Ų96.841%0.40647%0.474SS..Hα-helixtrans-69.8-35.6178.8-63.5-36.7000112.2Q209 N216 N217Q209-D213 WeakPolarHBondContact CG-OD2 3.32Å; Q209-D213 PolarHBondContact NE2-OD1 3.45Å; Q209-D213 PolarHBondContact NE2-OD2 3.15Å; Q209-D213 PolarHBondContact O-N 3.02Å; Q209-D213 VanDerWaalsContact O-OD2 3.12Å; D213-N216 PolarHBondContact O-N 3.1Å; D213-N217 WeakPolarHBondContact O-CB 3.4Å; D213-N217 PolarHBondContact O-N 3.34Å
214L97.2Very high96.8Very high90 Ų9095.8 Ų95.847%0.47148%0.477SS..Hα-helixtrans-62.5-43.8168.7178.860.5000111.7V210 N217 I218V210-L214 VanDerWaalsContact O-CB 3.25Å; V210-L214 WeakPolarHBondContact O-CB 3.42Å; V210-L214 PolarHBondContact O-N 3.13Å; L214-N217 PolarHBondContact O-N 3.18Å; L214-I218 HydrophobicContact CD1-CD1 4.21Å; L214-I218 HydrophobicContact CD1-CG1 4.48Å; L214-I218 HydrophobicContact CG-CD1 4.05Å; L214-I218 VanDerWaalsContact O-CG1 3.3Å; L214-I218 WeakPolarHBondContact O-CG1 3.19Å; L214-I218 PolarHBondContact O-N 2.74Å
215N97.2Very high96.8Very high75 Ų7596.5 Ų96.540%0.40148%0.483SS..Hα-helixtrans-63.8-44.4175.7-173.788.2000111.5Y211 M212 N217 I218 E219Y211-N215 WeakPolarHBondContact O-CB 3.19Å; Y211-N215 PolarHBondContact O-N 2.85Å; M212-N215 PolarHBondContact O-N 2.89Å; N215-N217 VanDerWaalsContact C-N 3.26Å; N215-N217 PolarHBondContact O-N 2.76Å; N215-I218 PolarHBondContact O-N 2.66Å; N215-I218 VanDerWaalsContact O-N 3.15Å; N215-E219 PolarHBondContact ND2-OE1 3.4Å; N215-E219 PolarHBondContact O-N 3.34Å
216N97.8Very high96.9Very high68 Ų6895.8 Ų95.836%0.36448%0.48SS..Hα-helixtrans-59.4-36.8174.9-67.1-26.8000111.9M212 D213 K220M212-N216 WeakPolarHBondContact O-CB 3.48Å; M212-N216 PolarHBondContact O-N 3.02Å; M212-N216 PolarHBondContact O-ND2 3.16Å; M212-N216 VanDerWaalsContact O-ND2 3.17Å; D213-N216 PolarHBondContact O-N 3.1Å; N216-K220 VanDerWaalsContact O-CG 3.27Å; N216-K220 WeakPolarHBondContact O-CG 3.11Å; N216-K220 PolarHBondContact O-N 3.32Å
217N97.7Very high97Very high100 Ų10097 Ų9754%0.53549%0.486SS..Hα-helixtrans-68.8-44.5174.3-167.7-17.2000111.2D213 L214 N215 E219 K220 M221D213-N217 WeakPolarHBondContact O-CB 3.4Å; D213-N217 PolarHBondContact O-N 3.34Å; L214-N217 PolarHBondContact O-N 3.18Å; N215-N217 VanDerWaalsContact C-N 3.26Å; N215-N217 PolarHBondContact O-N 2.76Å; N217-E219 VanDerWaalsContact C-N 3.35Å; N217-E219 PolarHBondContact O-N 3.47Å; N217-K220 PolarHBondContact O-N 3.43Å; N217-M221 WeakPolarHBondContact O-CB 3.34Å; N217-M221 PolarHBondContact O-N 3.5Å
218I97.4Very high97.1Very high75 Ų7598.1 Ų98.139%0.38549%0.488SS..Hα-helixtrans-59.7-43.3174.4-69164.1000111.1L214 N215 M221 V222L214-I218 HydrophobicContact CD1-CD1 4.21Å; L214-I218 HydrophobicContact CD1-CG1 4.48Å; L214-I218 HydrophobicContact CG-CD1 4.05Å; L214-I218 VanDerWaalsContact O-CG1 3.3Å; L214-I218 WeakPolarHBondContact O-CG1 3.19Å; L214-I218 PolarHBondContact O-N 2.74Å; N215-I218 PolarHBondContact O-N 2.66Å; N215-I218 VanDerWaalsContact O-N 3.15Å; I218-M221 PolarHBondContact O-N 3.48Å; I218-V222 HydrophobicContact CG2-CG2 4.35Å; I218-V222 WeakPolarHBondContact O-CB 3.46Å; I218-V222 VanDerWaalsContact O-CG2 3.29Å; I218-V222 WeakPolarHBondContact O-CG2 2.82Å; I218-V222 PolarHBondContact O-N 3.01Å
219E96.8Very high97.2Very high108 Ų108100.6 Ų100.651%0.50550%0.498SS..Hα-helixtrans-65.3-41.4177.2-74179.2-166.200112.5N215 N217 V222 T223N215-E219 PolarHBondContact ND2-OE1 3.4Å; N215-E219 PolarHBondContact O-N 3.34Å; N217-E219 VanDerWaalsContact C-N 3.35Å; N217-E219 PolarHBondContact O-N 3.47Å; E219-V222 PolarHBondContact O-N 3.16Å; E219-T223 WeakPolarHBondContact O-CB 3.31Å; E219-T223 PolarHBondContact O-N 3.23Å; E219-T223 PolarHBondContact O-OG1 3.29Å
220K97.1Very high97.2Very high149 Ų14999.1 Ų99.165%0.64850%0.495SS*.Hα-helixtrans-59.8-45171.4-74.7170.3-178.91800111.6N216 N217 T223 A224N216-K220 VanDerWaalsContact O-CG 3.27Å; N216-K220 WeakPolarHBondContact O-CG 3.11Å; N216-K220 PolarHBondContact O-N 3.32Å; N217-K220 PolarHBondContact O-N 3.43Å; K220-T223 PolarHBondContact O-N 2.8Å; K220-A224 PolarHBondContact O-N 3Å
221M97Very high97.2Very high94 Ų94100.5 Ų100.546%0.46350%0.495SS..Hα-helixtrans-66-42.2179.2-177.3176.164.100112.1N217 I218 T223 A224 F225N217-M221 WeakPolarHBondContact O-CB 3.34Å; N217-M221 PolarHBondContact O-N 3.5Å; I218-M221 PolarHBondContact O-N 3.48Å; M221-T223 VanDerWaalsContact C-N 3.33Å; M221-A224 PolarHBondContact O-N 2.97Å; M221-F225 HydrophobicContact CG-CD2 3.77Å; M221-F225 HydrophobicContact CG-CE2 3.54Å; M221-F225 WeakPolarHBondContact O-CD2 3.49Å; M221-F225 PolarHBondContact O-N 3.32Å; M221-F225 HydrophobicContact SD-CE2 4Å
222V97.1Very high97Very high88 Ų8895.6 Ų95.653%0.53349%0.489SS..Hα-helixtrans-61.2-42.4173.2166.70000110.9I218 E219 F225 E226I218-V222 HydrophobicContact CG2-CG2 4.35Å; I218-V222 WeakPolarHBondContact O-CB 3.46Å; I218-V222 VanDerWaalsContact O-CG2 3.29Å; I218-V222 WeakPolarHBondContact O-CG2 2.82Å; I218-V222 PolarHBondContact O-N 3.01Å; E219-V222 PolarHBondContact O-N 3.16Å; V222-F225 PolarHBondContact O-N 3.39Å; V222-E226 WeakPolarHBondContact O-CB 3.13Å; V222-E226 PolarHBondContact O-N 3.22Å
223T97.1Very high97Very high75 Ų7594.2 Ų94.246%0.4648%0.481SS..Hα-helixtrans-62.5-47.4176.3-53.70000111.2E219 K220 M221 F225 E226 E227E219-T223 WeakPolarHBondContact O-CB 3.31Å; E219-T223 PolarHBondContact O-N 3.23Å; E219-T223 PolarHBondContact O-OG1 3.29Å; K220-T223 PolarHBondContact O-N 2.8Å; M221-T223 VanDerWaalsContact C-N 3.33Å; T223-F225 PolarHBondContact O-N 2.79Å; T223-E226 PolarHBondContact O-N 3.31Å; T223-E226 VanDerWaalsContact O-N 3.17Å; T223-E227 WeakPolarHBondContact O-CG 3.39Å; T223-E227 PolarHBondContact O-N 3.33Å
224A97.6Very high97Very high44 Ų4495.1 Ų95.136%0.36449%0.486SS..Hα-helixtrans-62.8-38177.400000112.9K220 M221 L228K220-A224 PolarHBondContact O-N 3Å; M221-A224 PolarHBondContact O-N 2.97Å; A224-L228 WeakPolarHBondContact O-CB 3.37Å; A224-L228 VanDerWaalsContact O-CG 3.29Å; A224-L228 WeakPolarHBondContact O-CG 3.46Å; A224-L228 PolarHBondContact O-N 3.41Å
225F98Very high97Very high134 Ų13493.8 Ų93.859%0.58848%0.484SS*.Hα-helixtrans-66.7-37173.3-82.4-57.4000112.7M221 V222 T223 R229M221-F225 HydrophobicContact CG-CD2 3.77Å; M221-F225 HydrophobicContact CG-CE2 3.54Å; M221-F225 WeakPolarHBondContact O-CD2 3.49Å; M221-F225 PolarHBondContact O-N 3.32Å; M221-F225 HydrophobicContact SD-CE2 4Å; V222-F225 PolarHBondContact O-N 3.39Å; T223-F225 PolarHBondContact O-N 2.79Å; F225-R229 VanDerWaalsContact O-CB 3.3Å; F225-R229 WeakPolarHBondContact O-CB 3.43Å; F225-R229 PolarHBondContact O-N 2.96Å
226E97.4Very high97Very high84 Ų8496.1 Ų96.139%0.39349%0.487SS..Hα-helixtrans-68.4-41175.3-179.762.1-172.700111.7V222 T223 R229 V230V222-E226 WeakPolarHBondContact O-CB 3.13Å; V222-E226 PolarHBondContact O-N 3.22Å; T223-E226 PolarHBondContact O-N 3.31Å; T223-E226 VanDerWaalsContact O-N 3.17Å; E226-R229 VanDerWaalsContact CD-NH2 3.26Å; E226-R229 WeakPolarHBondContact O-CB 3.32Å; E226-R229 PolarHBondContact O-N 3.38Å; E226-R229 IonicContact OE1-CZ 3.69Å; E226-R229 IonicContact OE1-NE 2.64Å; E226-R229 IonicContact OE1-NH2 3.91Å; E226-R229 PolarHBondContact OE1-NH2 2.83Å; E226-R229 IonicContact OE2-CZ 2.64Å; E226-R229 VanDerWaalsContact OE2-CZ 3.27Å; E226-R229 IonicContact OE2-NE 2.66Å; E226-R229 PolarHBondContact OE2-NE 2.85Å; E226-R229 IonicContact OE2-NH2 3.47Å; E226-R229 PolarHBondContact OE2-NH2 2.69Å; E226-V230 WeakPolarHBondContact O-CG2 3.11Å; E226-V230 PolarHBondContact O-N 2.68Å
227E97.3Very high97Very high131 Ų13196.9 Ų96.961%0.61249%0.49SS*.Hα-helixtrans-60.4-46.6172.8-73.5176.7176.100111.8T223 R229 V230 Q231T223-E227 WeakPolarHBondContact O-CG 3.39Å; T223-E227 PolarHBondContact O-N 3.33Å; E227-R229 VanDerWaalsContact C-N 3.34Å; E227-R229 PolarHBondContact O-N 3.13Å; E227-V230 PolarHBondContact O-N 2.79Å; E227-Q231 WeakPolarHBondContact O-CB 3.36Å; E227-Q231 PolarHBondContact O-N 3.09Å
228L97.8Very high96.9Very high96 Ų9697.3 Ų97.350%0.50349%0.489SS..Hα-helixtrans-62.2-39.2174.7-74.4169.9000112.2A224 Q231 A232A224-L228 WeakPolarHBondContact O-CB 3.37Å; A224-L228 VanDerWaalsContact O-CG 3.29Å; A224-L228 WeakPolarHBondContact O-CG 3.46Å; A224-L228 PolarHBondContact O-N 3.41Å; L228-Q231 PolarHBondContact O-N 3.37Å; L228-A232 WeakPolarHBondContact O-CB 3.14Å; L228-A232 PolarHBondContact O-N 3.25Å
229R97.9Very high96.8Very high159 Ų15999.6 Ų99.660%0.650%0.5SS*.Hα-helixtrans-63-44175.9-170.4179.375.5900.4111.3F225 E226 E227 E233F225-R229 VanDerWaalsContact O-CB 3.3Å; F225-R229 WeakPolarHBondContact O-CB 3.43Å; F225-R229 PolarHBondContact O-N 2.96Å; E226-R229 VanDerWaalsContact CD-NH2 3.26Å; E226-R229 WeakPolarHBondContact O-CB 3.32Å; E226-R229 PolarHBondContact O-N 3.38Å; E226-R229 IonicContact OE1-CZ 3.69Å; E226-R229 IonicContact OE1-NE 2.64Å; E226-R229 IonicContact OE1-NH2 3.91Å; E226-R229 PolarHBondContact OE1-NH2 2.83Å; E226-R229 IonicContact OE2-CZ 2.64Å; E226-R229 VanDerWaalsContact OE2-CZ 3.27Å; E226-R229 IonicContact OE2-NE 2.66Å; E226-R229 PolarHBondContact OE2-NE 2.85Å; E226-R229 IonicContact OE2-NH2 3.47Å; E226-R229 PolarHBondContact OE2-NH2 2.69Å; E227-R229 VanDerWaalsContact C-N 3.34Å; E227-R229 PolarHBondContact O-N 3.13Å; R229-E233 WeakPolarHBondContact O-CB 3.48Å; R229-E233 PolarHBondContact O-N 2.83Å
230V96.4Very high96.6Very high66 Ų6699.9 Ų99.940%0.450%0.501SS..Hα-helixtrans-67-40.5175.8169.40000111.3E226 E227 E233 N234E226-V230 WeakPolarHBondContact O-CG2 3.11Å; E226-V230 PolarHBondContact O-N 2.68Å; E227-V230 PolarHBondContact O-N 2.79Å; V230-E233 PolarHBondContact O-N 3.17Å; V230-N234 VanDerWaalsContact O-CB 3.32Å; V230-N234 WeakPolarHBondContact O-CB 3.31Å; V230-N234 PolarHBondContact O-N 3.38Å; V230-N234 PolarHBondContact O-ND2 2.92Å
231Q96.3Very high96.5Very high123 Ų12399.3 Ų99.358%0.57550%0.499SS*.Hα-helixtrans-63.6-43.6175.9-173.6-179.15.200112E227 L228 N234 S235E227-Q231 WeakPolarHBondContact O-CB 3.36Å; E227-Q231 PolarHBondContact O-N 3.09Å; L228-Q231 PolarHBondContact O-N 3.37Å; Q231-N234 PolarHBondContact O-N 2.93Å; Q231-S235 WeakPolarHBondContact O-CB 3.5Å; Q231-S235 PolarHBondContact O-N 3.4Å; Q231-S235 PolarHBondContact O-OG 2.88Å
232A93.8Very high96.5Very high62 Ų6299.7 Ų99.751%0.51250%0.498SS..Hα-helixtrans-63.5-44.5176.600000111.8L228 S235 R236L228-A232 WeakPolarHBondContact O-CB 3.14Å; L228-A232 PolarHBondContact O-N 3.25Å; A232-S235 PolarHBondContact O-N 3.02Å; A232-R236 WeakPolarHBondContact O-CB 3.44Å; A232-R236 PolarHBondContact O-N 3.49Å
233E96.1Very high96.4Very high82 Ų82100.8 Ų100.838%0.38350%0.5SS..Hα-helixtrans-65.5-42.2176.8179.161.6-175.700112.1R229 V230 S235 R236 L237R229-E233 WeakPolarHBondContact O-CB 3.48Å; R229-E233 PolarHBondContact O-N 2.83Å; V230-E233 PolarHBondContact O-N 3.17Å; E233-S235 VanDerWaalsContact C-N 3.34Å; E233-S235 PolarHBondContact O-N 3.26Å; E233-R236 WeakPolarHBondContact O-CB 3.38Å; E233-R236 PolarHBondContact O-N 3.26Å; E233-R236 IonicContact OE1-CZ 2.76Å; E233-R236 IonicContact OE1-NE 2.62Å; E233-R236 IonicContact OE1-NH2 3.8Å; E233-R236 PolarHBondContact OE1-NH2 3.4Å; E233-R236 IonicContact OE2-CZ 2.66Å; E233-R236 IonicContact OE2-NE 2.82Å; E233-R236 PolarHBondContact OE2-NE 3.15Å; E233-R236 IonicContact OE2-NH2 2.69Å; E233-R236 PolarHBondContact OE2-NH2 2.88Å; E233-L237 HydrophobicContact CG-CD1 4.19Å; E233-L237 WeakPolarHBondContact O-CB 3.44Å; E233-L237 VanDerWaalsContact O-CG 3.3Å; E233-L237 WeakPolarHBondContact O-CG 3.39Å; E233-L237 PolarHBondContact O-N 3.29Å
234N96.9Very high96.3Very high95 Ų95102.3 Ų102.351%0.50850%0.5SS..Hα-helixtrans-60-42.9172.9-74.4-26.8000111.8V230 Q231 R236 L237 E238V230-N234 VanDerWaalsContact O-CB 3.32Å; V230-N234 WeakPolarHBondContact O-CB 3.31Å; V230-N234 PolarHBondContact O-N 3.38Å; V230-N234 PolarHBondContact O-ND2 2.92Å; Q231-N234 PolarHBondContact O-N 2.93Å; N234-R236 VanDerWaalsContact C-N 3.34Å; N234-R236 PolarHBondContact O-N 3.04Å; N234-L237 PolarHBondContact O-N 3.29Å; N234-E238 PolarHBondContact O-N 3.39Å
235S96.7Very high96.2Very high61 Ų61104.1 Ų104.143%0.42750%0.501SS..Hα-helixtrans-63.5-39.5177-550000111.8Q231 A232 E233 E238 M239Q231-S235 WeakPolarHBondContact O-CB 3.5Å; Q231-S235 PolarHBondContact O-N 3.4Å; Q231-S235 PolarHBondContact O-OG 2.88Å; A232-S235 PolarHBondContact O-N 3.02Å; E233-S235 VanDerWaalsContact C-N 3.34Å; E233-S235 PolarHBondContact O-N 3.26Å; S235-E238 PolarHBondContact O-N 2.95Å; S235-M239 PolarHBondContact O-N 3.23Å
236R97.3Very high96Very high124 Ų124101.3 Ų101.347%0.46849%0.492SS..Hα-helixtrans-64.9-41.2174.8-167.5-169.769.775.11.7111.9A232 E233 N234 H240A232-R236 WeakPolarHBondContact O-CB 3.44Å; A232-R236 PolarHBondContact O-N 3.49Å; E233-R236 WeakPolarHBondContact O-CB 3.38Å; E233-R236 PolarHBondContact O-N 3.26Å; E233-R236 IonicContact OE1-CZ 2.76Å; E233-R236 IonicContact OE1-NE 2.62Å; E233-R236 IonicContact OE1-NH2 3.8Å; E233-R236 PolarHBondContact OE1-NH2 3.4Å; E233-R236 IonicContact OE2-CZ 2.66Å; E233-R236 IonicContact OE2-NE 2.82Å; E233-R236 PolarHBondContact OE2-NE 3.15Å; E233-R236 IonicContact OE2-NH2 2.69Å; E233-R236 PolarHBondContact OE2-NH2 2.88Å; N234-R236 VanDerWaalsContact C-N 3.34Å; N234-R236 PolarHBondContact O-N 3.04Å; R236-H240 WeakPolarHBondContact O-CB 3.35Å; R236-H240 PolarHBondContact O-N 3.47Å
237L96.7Very high95.9Very high84 Ų84104 Ų10444%0.4450%0.5SS..Hα-helixtrans-69.2-37.5176.3-70.1170.3000112.2E233 N234 H240 F241E233-L237 HydrophobicContact CG-CD1 4.19Å; E233-L237 WeakPolarHBondContact O-CB 3.44Å; E233-L237 VanDerWaalsContact O-CG 3.3Å; E233-L237 WeakPolarHBondContact O-CG 3.39Å; E233-L237 PolarHBondContact O-N 3.29Å; N234-L237 PolarHBondContact O-N 3.29Å; L237-H240 PolarHBondContact O-N 3.16Å; L237-F241 WeakPolarHBondContact O-CB 3.48Å; L237-F241 PolarHBondContact O-N 2.82Å
238E96.2Very high95.8Very high110 Ų110102.5 Ų102.551%0.51449%0.493SS..Hα-helixtrans-64.9-43.3173.7-168.5-172.4157.200111.6N234 S235 F241 K242N234-E238 PolarHBondContact O-N 3.39Å; S235-E238 PolarHBondContact O-N 2.95Å; E238-F241 PolarHBondContact O-N 3.23Å; E238-K242 WeakPolarHBondContact O-CG 3.36Å; E238-K242 PolarHBondContact O-N 3.11Å; E238-K242 WeakPolarHBondContact OE1-CE 3.45Å; E238-K242 IonicContact OE1-NZ 3.81Å; E238-K242 PolarHBondContact OE1-NZ 3.09Å
239M95.2Very high95.7Very high123 Ų123102.2 Ų102.261%0.60649%0.487SS*.Hα-helixtrans-59-47.8172.5-174.6-164.4-66.400111.3S235 F241 K242 L243S235-M239 PolarHBondContact O-N 3.23Å; M239-F241 VanDerWaalsContact C-N 3.28Å; M239-F241 PolarHBondContact O-N 2.84Å; M239-K242 PolarHBondContact O-N 3.43Å; M239-L243 HydrophobicContact CG-CD1 3.96Å; M239-L243 HydrophobicContact CG-CG 4.42Å; M239-L243 WeakPolarHBondContact O-CB 3.48Å; M239-L243 WeakPolarHBondContact O-CG 3.45Å; M239-L243 PolarHBondContact O-N 2.84Å; M239-L243 HydrophobicContact SD-CD1 4.37Å
240H93.2Very high95.6Very high114 Ų11499 Ų9953%0.52848%0.482SS..Hα-helixtrans-62-34.9177.1-174.9-59.5000112.2R236 L237 K244R236-H240 WeakPolarHBondContact O-CB 3.35Å; R236-H240 PolarHBondContact O-N 3.47Å; L237-H240 PolarHBondContact O-N 3.16Å; H240-K244 WeakPolarHBondContact O-CB 3.38Å; H240-K244 PolarHBondContact O-N 3.47Å; H240-K244 VanDerWaalsContact O-N 3.09Å
241F95.5Very high95.5Very high136 Ų13699.7 Ų99.760%0.59648%0.48SS*.Hα-helixtrans-65.6-48.5174.7-174.1-86.8000111.3L237 E238 M239 K244 E245L237-F241 WeakPolarHBondContact O-CB 3.48Å; L237-F241 PolarHBondContact O-N 2.82Å; E238-F241 PolarHBondContact O-N 3.23Å; M239-F241 VanDerWaalsContact C-N 3.28Å; M239-F241 PolarHBondContact O-N 2.84Å; F241-K244 PolarHBondContact O-N 3.09Å; F241-E245 PolarHBondContact O-N 3.3Å
242K96.3Very high95.4Very high103 Ų10399 Ų9945%0.44848%0.477SS..Hα-helixtrans-61.2-46.1177.9-69.9172.4-174.91690112.2E238 M239 K244 E245 D246E238-K242 WeakPolarHBondContact O-CG 3.36Å; E238-K242 PolarHBondContact O-N 3.11Å; E238-K242 WeakPolarHBondContact OE1-CE 3.45Å; E238-K242 IonicContact OE1-NZ 3.81Å; E238-K242 PolarHBondContact OE1-NZ 3.09Å; M239-K242 PolarHBondContact O-N 3.43Å; K242-K244 VanDerWaalsContact C-N 3.27Å; K242-K244 PolarHBondContact O-N 2.93Å; K242-E245 WeakPolarHBondContact O-CB 3.33Å; K242-E245 PolarHBondContact O-N 3.25Å; K242-E245 VanDerWaalsContact O-N 3.12Å; K242-D246 PolarHBondContact O-N 2.89Å
243L95.2Very high95.5Very high110 Ų110100 Ų10058%0.57647%0.473SS*.Hα-helixtrans-59-37.1175.5-72.6170.9000112.4M239 Y247M239-L243 HydrophobicContact CG-CD1 3.96Å; M239-L243 HydrophobicContact CG-CG 4.42Å; M239-L243 WeakPolarHBondContact O-CB 3.48Å; M239-L243 WeakPolarHBondContact O-CG 3.45Å; M239-L243 PolarHBondContact O-N 2.84Å; M239-L243 HydrophobicContact SD-CD1 4.37Å; L243-Y247 VanDerWaalsContact O-CB 3.28Å; L243-Y247 WeakPolarHBondContact O-CB 3.19Å; L243-Y247 PolarHBondContact O-N 3.26Å
244K95.6Very high95.4Very high108 Ų108102 Ų10247%0.4748%0.483SS..Hα-helixtrans-69.9-41.2174.3-178.4169.6-179.6-64.40112.3H240 F241 K242 Y247 E248H240-K244 WeakPolarHBondContact O-CB 3.38Å; H240-K244 PolarHBondContact O-N 3.47Å; H240-K244 VanDerWaalsContact O-N 3.09Å; F241-K244 PolarHBondContact O-N 3.09Å; K242-K244 VanDerWaalsContact C-N 3.27Å; K242-K244 PolarHBondContact O-N 2.93Å; K244-Y247 PolarHBondContact O-N 3.17Å; K244-E248 IonicContact NZ-OE1 2.82Å; K244-E248 PolarHBondContact NZ-OE1 3.26Å; K244-E248 WeakPolarHBondContact O-CG 3.06Å; K244-E248 PolarHBondContact O-N 3.36Å
245E95Very high95.3Very high82 Ų82103.4 Ų103.438%0.38349%0.486SS..Hα-helixtrans-62.8-42.4176.1-159.5-162.5121.900111.4F241 K242 E248 K249F241-E245 PolarHBondContact O-N 3.3Å; K242-E245 WeakPolarHBondContact O-CB 3.33Å; K242-E245 PolarHBondContact O-N 3.25Å; K242-E245 VanDerWaalsContact O-N 3.12Å; E245-E248 PolarHBondContact O-N 3.46Å; E245-K249 WeakPolarHBondContact O-CG 3.34Å; E245-K249 PolarHBondContact O-N 3.29Å; E245-K249 WeakPolarHBondContact OE1-CE 3.3Å; E245-K249 IonicContact OE1-NZ 2.71Å; E245-K249 PolarHBondContact OE1-NZ 3.43Å
246D93.8Very high95.3Very high75 Ų75105.3 Ų105.340%0.40149%0.488SS..Hα-helixtrans-72.5-34.8177.7-68.7-26.7000112.4K242 K249 I250K242-D246 PolarHBondContact O-N 2.89Å; D246-K249 PolarHBondContact O-N 3.26Å; D246-K249 IonicContact OD1-NZ 2.65Å; D246-K249 PolarHBondContact OD1-NZ 2.96Å; D246-I250 VanDerWaalsContact O-CG1 3.3Å; D246-I250 WeakPolarHBondContact O-CG1 3.48Å; D246-I250 PolarHBondContact O-N 3.43Å
247Y94.1Very high95.1Very high141 Ų141106.7 Ų106.755%0.55350%0.495SS*.Hα-helixtrans-61.2-43168.7178.3-95.4000112L243 K244 K249 I250 Q251L243-Y247 VanDerWaalsContact O-CB 3.28Å; L243-Y247 WeakPolarHBondContact O-CB 3.19Å; L243-Y247 PolarHBondContact O-N 3.26Å; K244-Y247 PolarHBondContact O-N 3.17Å; Y247-K249 VanDerWaalsContact C-N 3.35Å; Y247-K249 PolarHBondContact O-N 3.1Å; Y247-I250 PolarHBondContact O-N 3.44Å; Y247-Q251 WeakPolarHBondContact O-CB 3.3Å; Y247-Q251 PolarHBondContact O-N 3.07Å
248E95.9Very high95.1Very high98 Ų98109.7 Ų109.746%0.45850%0.504SS..Hα-helixtrans-65-35.6175.8-74.8174-173.400112K244 E245 H252K244-E248 IonicContact NZ-OE1 2.82Å; K244-E248 PolarHBondContact NZ-OE1 3.26Å; K244-E248 WeakPolarHBondContact O-CG 3.06Å; K244-E248 PolarHBondContact O-N 3.36Å; E245-E248 PolarHBondContact O-N 3.46Å; E248-H252 PolarHBondContact O-N 3.47Å
249K96.1Very high95Very high90 Ų90111 Ų11139%0.39151%0.508SS..Hα-helixtrans-65-46.8171.3-68.4165.4-154.7160.80112.2E245 D246 Y247 Q251 H252 L253E245-K249 WeakPolarHBondContact O-CG 3.34Å; E245-K249 PolarHBondContact O-N 3.29Å; E245-K249 WeakPolarHBondContact OE1-CE 3.3Å; E245-K249 IonicContact OE1-NZ 2.71Å; E245-K249 PolarHBondContact OE1-NZ 3.43Å; D246-K249 PolarHBondContact O-N 3.26Å; D246-K249 IonicContact OD1-NZ 2.65Å; D246-K249 PolarHBondContact OD1-NZ 2.96Å; Y247-K249 VanDerWaalsContact C-N 3.35Å; Y247-K249 PolarHBondContact O-N 3.1Å; K249-Q251 VanDerWaalsContact C-N 3.33Å; K249-Q251 PolarHBondContact O-N 2.93Å; K249-H252 WeakPolarHBondContact O-CB 3.37Å; K249-H252 PolarHBondContact O-N 3.3Å; K249-L253 WeakPolarHBondContact O-CG 3.28Å; K249-L253 PolarHBondContact O-N 3.38Å
250I95Very high95Very high93 Ų93109.6 Ų109.648%0.47750%0.5SS..Hα-helixtrans-60.1-45.9177.5-70.2164.3000109.8D246 Y247 H252 L253 E254D246-I250 VanDerWaalsContact O-CG1 3.3Å; D246-I250 WeakPolarHBondContact O-CG1 3.48Å; D246-I250 PolarHBondContact O-N 3.43Å; Y247-I250 PolarHBondContact O-N 3.44Å; I250-H252 VanDerWaalsContact C-N 3.29Å; I250-H252 PolarHBondContact O-N 3.19Å; I250-L253 PolarHBondContact O-N 3.15Å; I250-L253 VanDerWaalsContact O-N 3.15Å; I250-E254 HydrophobicContact CG2-CG 4.41Å; I250-E254 WeakPolarHBondContact O-CG 3.45Å; I250-E254 PolarHBondContact O-N 2.85Å
251Q95.1Very high95.1Very high79 Ų79108.7 Ų108.737%0.36950%0.502SS..Hα-helixtrans-63-31.2177.3-179.417283.800113.2Y247 K249 Q255Y247-Q251 WeakPolarHBondContact O-CB 3.3Å; Y247-Q251 PolarHBondContact O-N 3.07Å; K249-Q251 VanDerWaalsContact C-N 3.33Å; K249-Q251 PolarHBondContact O-N 2.93Å; Q251-Q255 VanDerWaalsContact O-CG 3.31Å; Q251-Q255 WeakPolarHBondContact O-CG 3.28Å; Q251-Q255 PolarHBondContact O-N 3Å; Q251-Q255 PolarHBondContact O-NE2 3.49Å
252H94.4Very high95.1Very high109 Ų109105.5 Ų105.551%0.50549%0.491SS..Hα-helixtrans-67.7-48.6171.1-168.7-80.9000111.4E248 K249 I250 E254 Q255 E256E248-H252 PolarHBondContact O-N 3.47Å; K249-H252 WeakPolarHBondContact O-CB 3.37Å; K249-H252 PolarHBondContact O-N 3.3Å; I250-H252 VanDerWaalsContact C-N 3.29Å; I250-H252 PolarHBondContact O-N 3.19Å; H252-E254 VanDerWaalsContact C-N 3.34Å; H252-E254 PolarHBondContact O-N 3.29Å; H252-Q255 WeakPolarHBondContact O-CB 3.28Å; H252-Q255 PolarHBondContact O-N 2.88Å; H252-Q255 VanDerWaalsContact O-N 3.09Å; H252-E256 IonicContact CE1-OE1 3.54Å; H252-E256 PolarHBondContact CE1-OE1 3.36Å; H252-E256 IonicContact CE1-OE2 3.74Å; H252-E256 PolarHBondContact CE1-OE2 2.89Å; H252-E256 VanDerWaalsContact CE1-OE2 3.23Å; H252-E256 VanDerWaalsContact ND1-CD 3.29Å; H252-E256 IonicContact ND1-OE1 2.66Å; H252-E256 IonicContact ND1-OE2 2.69Å; H252-E256 PolarHBondContact ND1-OE2 2.96Å; H252-E256 PolarHBondContact O-N 3.29Å
253L95.1Very high95.1Very high84 Ų84103.5 Ų103.544%0.4449%0.485SS..Hα-helixtrans-61.4-40.6178.4-68.9169.5000111.9K249 I250 Q255 E256 Y257K249-L253 WeakPolarHBondContact O-CG 3.28Å; K249-L253 PolarHBondContact O-N 3.38Å; I250-L253 PolarHBondContact O-N 3.15Å; I250-L253 VanDerWaalsContact O-N 3.15Å; L253-Q255 VanDerWaalsContact C-N 3.32Å; L253-Q255 PolarHBondContact O-N 2.64Å; L253-E256 PolarHBondContact O-N 3.31Å; L253-Y257 HydrophobicContact CB-CD2 4.45Å; L253-Y257 HydrophobicContact CB-CE2 4.33Å; L253-Y257 WeakPolarHBondContact O-CB 3.41Å; L253-Y257 WeakPolarHBondContact O-CD2 3.38Å; L253-Y257 PolarHBondContact O-N 3.33Å
254E94.2Very high95.1Very high124 Ų124103 Ų10358%0.57948%0.479SS*.Hα-helixtrans-59.1-41172.5-75.5-175.7163.600112.3I250 H252 K258I250-E254 HydrophobicContact CG2-CG 4.41Å; I250-E254 WeakPolarHBondContact O-CG 3.45Å; I250-E254 PolarHBondContact O-N 2.85Å; H252-E254 VanDerWaalsContact C-N 3.34Å; H252-E254 PolarHBondContact O-N 3.29Å; E254-K258 WeakPolarHBondContact O-CB 3.4Å; E254-K258 PolarHBondContact O-N 3.33Å
255Q95.5Very high95Very high124 Ų124103.6 Ų103.658%0.57948%0.483SS*.Hα-helixtrans-68.3-38.3176.5-73.6174.552.900112.1Q251 H252 L253 K259Q251-Q255 VanDerWaalsContact O-CG 3.31Å; Q251-Q255 WeakPolarHBondContact O-CG 3.28Å; Q251-Q255 PolarHBondContact O-N 3Å; Q251-Q255 PolarHBondContact O-NE2 3.49Å; H252-Q255 WeakPolarHBondContact O-CB 3.28Å; H252-Q255 PolarHBondContact O-N 2.88Å; H252-Q255 VanDerWaalsContact O-N 3.09Å; L253-Q255 VanDerWaalsContact C-N 3.32Å; L253-Q255 PolarHBondContact O-N 2.64Å; Q255-K259 WeakPolarHBondContact O-CB 3.43Å; Q255-K259 PolarHBondContact O-N 3.19Å
256E95.5Very high95Very high101 Ų101105.6 Ų105.647%0.47249%0.49SS..Hα-helixtrans-66.9-47.9175.2-71.8-176.9119.200112H252 L253 K258 K259 E260H252-E256 IonicContact CE1-OE1 3.54Å; H252-E256 PolarHBondContact CE1-OE1 3.36Å; H252-E256 IonicContact CE1-OE2 3.74Å; H252-E256 PolarHBondContact CE1-OE2 2.89Å; H252-E256 VanDerWaalsContact CE1-OE2 3.23Å; H252-E256 VanDerWaalsContact ND1-CD 3.29Å; H252-E256 IonicContact ND1-OE1 2.66Å; H252-E256 IonicContact ND1-OE2 2.69Å; H252-E256 PolarHBondContact ND1-OE2 2.96Å; H252-E256 PolarHBondContact O-N 3.29Å; L253-E256 PolarHBondContact O-N 3.31Å; E256-K258 PolarHBondContact O-N 3Å; E256-K259 WeakPolarHBondContact O-CB 3.35Å; E256-K259 PolarHBondContact O-N 3.03Å; E256-K259 VanDerWaalsContact O-N 3.17Å; E256-E260 PolarHBondContact O-N 2.91Å
257Y94Very high95.1Very high153 Ų153107.5 Ų107.560%0.650%0.497SS*.Hα-helixtrans-62.4-41.5174.9-73.7-54.7000112L253 K259 E260 V261L253-Y257 HydrophobicContact CB-CD2 4.45Å; L253-Y257 HydrophobicContact CB-CE2 4.33Å; L253-Y257 WeakPolarHBondContact O-CB 3.41Å; L253-Y257 WeakPolarHBondContact O-CD2 3.38Å; L253-Y257 PolarHBondContact O-N 3.33Å; Y257-K259 VanDerWaalsContact C-N 3.27Å; Y257-K259 PolarHBondContact O-N 3.48Å; Y257-E260 PolarHBondContact O-N 3.33Å; Y257-V261 WeakPolarHBondContact O-CB 3.39Å; Y257-V261 WeakPolarHBondContact O-CG2 3.44Å; Y257-V261 PolarHBondContact O-N 3.43Å
258K96Very high95.1Very high147 Ų147104.8 Ų104.864%0.63950%0.495SS*.Hα-helixtrans-62.6-35.1175-174.6170.5-174.5170.10112.1E254 E256 N262E254-K258 WeakPolarHBondContact O-CB 3.4Å; E254-K258 PolarHBondContact O-N 3.33Å; E256-K258 PolarHBondContact O-N 3Å; K258-N262 WeakPolarHBondContact O-CB 3.29Å; K258-N262 PolarHBondContact O-N 2.97Å; K258-N262 VanDerWaalsContact O-N 3.13Å; K258-N262 PolarHBondContact O-ND2 3.36Å; K258-N262 VanDerWaalsContact O-ND2 3.15Å
259K94.9Very high95Very high137 Ų137103 Ų10360%0.59649%0.493SS*.Hα-helixtrans-68.8-45.9172.5-176.8-171.3170.4-165.40111.5Q255 E256 Y257 N262 D263Q255-K259 WeakPolarHBondContact O-CB 3.43Å; Q255-K259 PolarHBondContact O-N 3.19Å; E256-K259 WeakPolarHBondContact O-CB 3.35Å; E256-K259 PolarHBondContact O-N 3.03Å; E256-K259 VanDerWaalsContact O-N 3.17Å; Y257-K259 VanDerWaalsContact C-N 3.27Å; Y257-K259 PolarHBondContact O-N 3.48Å; K259-N262 PolarHBondContact O-N 2.85Å; K259-D263 PolarHBondContact O-N 3.32Å
260E95.3Very high95Very high93 Ų93103.4 Ų103.444%0.43550%0.499SS..Hα-helixtrans-60.5-46.7176.4-177.8168.7-161.100111E256 Y257 N262 D263 K264E256-E260 PolarHBondContact O-N 2.91Å; Y257-E260 PolarHBondContact O-N 3.33Å; E260-N262 PolarHBondContact O-N 3.48Å; E260-D263 CarbonylContact O-C 3.56Å; E260-D263 WeakPolarHBondContact O-CA 3.46Å; E260-D263 PolarHBondContact O-N 2.99Å; E260-K264 HydrophobicContact CG-CG 4.12Å; E260-K264 WeakPolarHBondContact O-CG 3.26Å; E260-K264 PolarHBondContact O-N 3.02Å; E260-K264 WeakPolarHBondContact OE1-CE 3.43Å; E260-K264 IonicContact OE1-NZ 3.33Å; E260-K264 PolarHBondContact OE1-NZ 3.43Å
261V94.4Very high95Very high96 Ų96103.6 Ų103.658%0.58250%0.501SS*.Hα-helixtrans-55.3-48.8176.2169.40000111.1Y257 D263 K264 E265Y257-V261 WeakPolarHBondContact O-CB 3.39Å; Y257-V261 WeakPolarHBondContact O-CG2 3.44Å; Y257-V261 PolarHBondContact O-N 3.43Å; V261-D263 VanDerWaalsContact C-N 3.27Å; V261-D263 PolarHBondContact O-N 3.22Å; V261-K264 PolarHBondContact O-N 3.42Å; V261-E265 WeakPolarHBondContact O-CB 3.5Å; V261-E265 PolarHBondContact O-N 3.03Å
262N96.1Very high95Very high69 Ų69105.5 Ų105.537%0.36951%0.513SS..Hα-helixtrans-58.9-36.7174.8-74.3-28.3000112.7K258 K259 E260 K266K258-N262 WeakPolarHBondContact O-CB 3.29Å; K258-N262 PolarHBondContact O-N 2.97Å; K258-N262 VanDerWaalsContact O-N 3.13Å; K258-N262 PolarHBondContact O-ND2 3.36Å; K258-N262 VanDerWaalsContact O-ND2 3.15Å; K259-N262 PolarHBondContact O-N 2.85Å; E260-N262 PolarHBondContact O-N 3.48Å; N262-K266 WeakPolarHBondContact O-CD 3.3Å; N262-K266 VanDerWaalsContact O-CE 3.26Å; N262-K266 WeakPolarHBondContact O-CE 3.2Å; N262-K266 VanDerWaalsContact O-CG 3.22Å; N262-K266 WeakPolarHBondContact O-CG 3.41Å; N262-K266 PolarHBondContact O-N 3.17Å; N262-K266 VanDerWaalsContact O-N 3.13Å
263D95.1Very high95Very high60 Ų60104.8 Ų104.832%0.32151%0.512SS..Hα-helixtrans-77.9-31.1179.7-72-21.7000112.5K259 E260 V261 K266 Q267K259-D263 PolarHBondContact O-N 3.32Å; E260-D263 CarbonylContact O-C 3.56Å; E260-D263 WeakPolarHBondContact O-CA 3.46Å; E260-D263 PolarHBondContact O-N 2.99Å; V261-D263 VanDerWaalsContact C-N 3.27Å; V261-D263 PolarHBondContact O-N 3.22Å; D263-K266 IonicContact OD1-NZ 2.69Å; D263-K266 PolarHBondContact OD1-NZ 3.17Å; D263-Q267 WeakPolarHBondContact O-CG 3.5Å; D263-Q267 PolarHBondContact O-N 3.48Å
264K94.9Very high95Very high100 Ų100105.2 Ų105.244%0.43551%0.512SS..Hα-helixtrans-68.9-41.8167.9-60.2-63.7178.8-177.30111.4E260 V261 K266 Q267 V268E260-K264 HydrophobicContact CG-CG 4.12Å; E260-K264 WeakPolarHBondContact O-CG 3.26Å; E260-K264 PolarHBondContact O-N 3.02Å; E260-K264 WeakPolarHBondContact OE1-CE 3.43Å; E260-K264 IonicContact OE1-NZ 3.33Å; E260-K264 PolarHBondContact OE1-NZ 3.43Å; V261-K264 PolarHBondContact O-N 3.42Å; K264-K266 VanDerWaalsContact C-N 3.3Å; K264-K266 PolarHBondContact O-N 3.41Å; K264-Q267 CarbonylContact O-C 3.55Å; K264-Q267 WeakPolarHBondContact O-CA 3.49Å; K264-Q267 WeakPolarHBondContact O-CB 3.47Å; K264-Q267 PolarHBondContact O-N 3.1Å; K264-V268 WeakPolarHBondContact O-CG2 3.43Å; K264-V268 PolarHBondContact O-N 2.86Å
265E94.6Very high94.9Very high120 Ų120104.3 Ų104.356%0.56151%0.51SS*.Hα-helixtrans-61.5-39.2177.9-174.4175.5-151.200111.4V261 V268 S269V261-E265 WeakPolarHBondContact O-CB 3.5Å; V261-E265 PolarHBondContact O-N 3.03Å; E265-V268 PolarHBondContact O-N 3.12Å; E265-S269 WeakPolarHBondContact O-CB 3.44Å; E265-S269 PolarHBondContact O-N 3.16Å; E265-S269 PolarHBondContact O-OG 3.24Å
266K95Very high94.8Very high124 Ų124101 Ų10154%0.53950%0.5SS..Hα-helixtrans-62.2-41.6169.3-68.4162.3-151.8162.90112.5N262 D263 K264 S269 L270N262-K266 WeakPolarHBondContact O-CD 3.3Å; N262-K266 VanDerWaalsContact O-CE 3.26Å; N262-K266 WeakPolarHBondContact O-CE 3.2Å; N262-K266 VanDerWaalsContact O-CG 3.22Å; N262-K266 WeakPolarHBondContact O-CG 3.41Å; N262-K266 PolarHBondContact O-N 3.17Å; N262-K266 VanDerWaalsContact O-N 3.13Å; D263-K266 IonicContact OD1-NZ 2.69Å; D263-K266 PolarHBondContact OD1-NZ 3.17Å; K264-K266 VanDerWaalsContact C-N 3.3Å; K264-K266 PolarHBondContact O-N 3.41Å; K266-S269 PolarHBondContact O-N 3.13Å; K266-L270 WeakPolarHBondContact O-CB 3.46Å; K266-L270 PolarHBondContact O-N 2.87Å
267Q95.6Very high94.8Very high115 Ų115100.4 Ų100.454%0.53750%0.497SS..Hα-helixtrans-65.3-44176.6-72.6174.217.800111.8D263 K264 S269 L270 L271D263-Q267 WeakPolarHBondContact O-CG 3.5Å; D263-Q267 PolarHBondContact O-N 3.48Å; K264-Q267 CarbonylContact O-C 3.55Å; K264-Q267 WeakPolarHBondContact O-CA 3.49Å; K264-Q267 WeakPolarHBondContact O-CB 3.47Å; K264-Q267 PolarHBondContact O-N 3.1Å; Q267-S269 VanDerWaalsContact C-N 3.34Å; Q267-L270 PolarHBondContact O-N 3.01Å; Q267-L271 WeakPolarHBondContact O-CG 3.3Å; Q267-L271 PolarHBondContact O-N 3.46Å
268V93.8Very high94.8Very high85 Ų85100 Ų10052%0.51550%0.499SS..Hα-helixtrans-61-44.1173.9171.50000110.4K264 E265 L270 L271 L272K264-V268 WeakPolarHBondContact O-CG2 3.43Å; K264-V268 PolarHBondContact O-N 2.86Å; E265-V268 PolarHBondContact O-N 3.12Å; V268-L270 PolarHBondContact O-N 3.12Å; V268-L271 PolarHBondContact O-N 3.14Å; V268-L272 WeakPolarHBondContact O-CB 3.39Å; V268-L272 PolarHBondContact O-N 2.68Å
269S95Very high94.7Very high60 Ų6097.2 Ų97.242%0.4249%0.488SS..Hα-helixtrans-60.4-43.7176.7-59.70000112.1E265 K266 Q267 L272 I273E265-S269 WeakPolarHBondContact O-CB 3.44Å; E265-S269 PolarHBondContact O-N 3.16Å; E265-S269 PolarHBondContact O-OG 3.24Å; K266-S269 PolarHBondContact O-N 3.13Å; Q267-S269 VanDerWaalsContact C-N 3.34Å; S269-L272 WeakPolarHBondContact O-CB 3.35Å; S269-L272 PolarHBondContact O-N 2.67Å; S269-I273 WeakPolarHBondContact O-CG1 3.48Å; S269-I273 PolarHBondContact O-N 3.19Å
270L95.9Very high94.7Very high99 Ų9994.6 Ų94.652%0.51848%0.48SS..Hα-helixtrans-64-41.6176.4-178.264.9000111.9K266 Q267 V268 I273 Q274K266-L270 WeakPolarHBondContact O-CB 3.46Å; K266-L270 PolarHBondContact O-N 2.87Å; Q267-L270 PolarHBondContact O-N 3.01Å; V268-L270 PolarHBondContact O-N 3.12Å; L270-I273 PolarHBondContact O-N 2.98Å; L270-Q274 WeakPolarHBondContact O-CG 3.49Å; L270-Q274 PolarHBondContact O-N 2.94Å
271L94.6Very high94.7Very high97 Ų9794.9 Ų94.951%0.50848%0.48SS..Hα-helixtrans-65.9-37.6174.6-71.1170.3000111.7Q267 V268 Q274 I275Q267-L271 WeakPolarHBondContact O-CG 3.3Å; Q267-L271 PolarHBondContact O-N 3.46Å; V268-L271 PolarHBondContact O-N 3.14Å; L271-Q274 PolarHBondContact O-N 2.85Å; L271-I275 WeakPolarHBondContact O-CB 3.38Å; L271-I275 VanDerWaalsContact O-CG1 3.28Å; L271-I275 WeakPolarHBondContact O-CG1 3.38Å; L271-I275 PolarHBondContact O-N 2.6Å
272L94.9Very high94.6Very high118 Ų11895.9 Ų95.962%0.61848%0.48SS*.Hα-helixtrans-61.8-44.2175.7-134.398.6000111.5V268 S269 I275 S276V268-L272 WeakPolarHBondContact O-CB 3.39Å; V268-L272 PolarHBondContact O-N 2.68Å; S269-L272 WeakPolarHBondContact O-CB 3.35Å; S269-L272 PolarHBondContact O-N 2.67Å; L272-I275 PolarHBondContact O-N 3.09Å; L272-S276 PolarHBondContact O-N 2.9Å
273I94.9Very high94.5Very high94 Ų9497.7 Ų97.748%0.48248%0.484SS..Hα-helixtrans-60.2-48.3173.9-67.6164.3000110.1S269 L270 I275 S276 E277S269-I273 WeakPolarHBondContact O-CG1 3.48Å; S269-I273 PolarHBondContact O-N 3.19Å; L270-I273 PolarHBondContact O-N 2.98Å; I273-I275 VanDerWaalsContact C-N 3.32Å; I273-I275 PolarHBondContact O-N 3.12Å; I273-S276 PolarHBondContact O-N 3.43Å; I273-S276 VanDerWaalsContact O-N 3.14Å; I273-S276 PolarHBondContact O-OG 3.19Å; I273-E277 PolarHBondContact O-N 2.94Å
274Q94.9Very high94.4Very high94 Ų9499.4 Ų99.444%0.43949%0.493SS..Hα-helixtrans-61.7-37.2177.7-73.1-179.5900112.9L270 L271 E277 K278L270-Q274 WeakPolarHBondContact O-CG 3.49Å; L270-Q274 PolarHBondContact O-N 2.94Å; L271-Q274 PolarHBondContact O-N 2.85Å; Q274-E277 PolarHBondContact O-N 3.46Å; Q274-K278 WeakPolarHBondContact O-CB 3.49Å; Q274-K278 WeakPolarHBondContact O-CG 3.45Å; Q274-K278 PolarHBondContact O-N 3.07Å
275I92.7Very high94.3Very high105 Ų105100.1 Ų100.154%0.53850%0.502SS..Hα-helixtrans-62.9-49.2172.6-71.2163.5000109.5L271 L272 I273 E277 K278 E279L271-I275 WeakPolarHBondContact O-CB 3.38Å; L271-I275 VanDerWaalsContact O-CG1 3.28Å; L271-I275 WeakPolarHBondContact O-CG1 3.38Å; L271-I275 PolarHBondContact O-N 2.6Å; L272-I275 PolarHBondContact O-N 3.09Å; I273-I275 VanDerWaalsContact C-N 3.32Å; I273-I275 PolarHBondContact O-N 3.12Å; I275-E277 VanDerWaalsContact C-N 3.29Å; I275-E277 PolarHBondContact O-N 3.09Å; I275-K278 PolarHBondContact O-N 3.49Å; I275-K278 VanDerWaalsContact O-N 3.1Å; I275-E279 WeakPolarHBondContact O-CB 3.5Å; I275-E279 PolarHBondContact O-N 3.39Å
276S93.6Very high94.2Very high53 Ų5398.4 Ų98.437%0.37150%0.5SS..Hα-helixtrans-59.3-38.517881.50000112.8L272 I273 E279 N280L272-S276 PolarHBondContact O-N 2.9Å; I273-S276 PolarHBondContact O-N 3.43Å; I273-S276 VanDerWaalsContact O-N 3.14Å; I273-S276 PolarHBondContact O-OG 3.19Å; S276-E279 PolarHBondContact O-N 2.98Å; S276-N280 WeakPolarHBondContact O-CB 3.44Å; S276-N280 PolarHBondContact O-N 3.34Å; S276-N280 PolarHBondContact O-ND2 3.15Å
277E94.8Very high94.1Very high89 Ų8999.6 Ų99.642%0.41651%0.505SS..Hα-helixtrans-64.1-43.5175-85.9-166.8-131.600112.1I273 Q274 I275 K281I273-E277 PolarHBondContact O-N 2.94Å; Q274-E277 PolarHBondContact O-N 3.46Å; I275-E277 VanDerWaalsContact C-N 3.29Å; I275-E277 PolarHBondContact O-N 3.09Å; E277-K281 WeakPolarHBondContact O-CB 3.46Å; E277-K281 VanDerWaalsContact O-CD 3.24Å; E277-K281 WeakPolarHBondContact O-CD 3.48Å; E277-K281 WeakPolarHBondContact O-CG 3.39Å; E277-K281 PolarHBondContact O-N 3.42Å; E277-K281 IonicContact OE2-NZ 2.66Å; E277-K281 PolarHBondContact OE2-NZ 2.98Å
278K93.8Very high94Very high146 Ų14698.6 Ų98.664%0.63550%0.503SS*.Hα-helixtrans-69.1-37.4178.9-71.2-76.1-177.3172.70111.1Q274 I275 K281 M282Q274-K278 WeakPolarHBondContact O-CB 3.49Å; Q274-K278 WeakPolarHBondContact O-CG 3.45Å; Q274-K278 PolarHBondContact O-N 3.07Å; I275-K278 PolarHBondContact O-N 3.49Å; I275-K278 VanDerWaalsContact O-N 3.1Å; K278-K281 PolarHBondContact O-N 3.09Å; K278-M282 VanDerWaalsContact O-CB 3.29Å; K278-M282 WeakPolarHBondContact O-CB 3.26Å; K278-M282 PolarHBondContact O-N 2.92Å
279E94.4Very high93.9Very high88 Ų88100 Ų10041%0.41151%0.507SS..Hα-helixtrans-68.7-39.4176.8-159.3-164.813300111.6I275 S276 M282 K283I275-E279 WeakPolarHBondContact O-CB 3.5Å; I275-E279 PolarHBondContact O-N 3.39Å; S276-E279 PolarHBondContact O-N 2.98Å; E279-M282 WeakPolarHBondContact O-CB 3.31Å; E279-M282 PolarHBondContact O-N 3.28Å; E279-K283 WeakPolarHBondContact O-CG 3.09Å; E279-K283 PolarHBondContact O-N 3.07Å; E279-K283 WeakPolarHBondContact OE1-CE 3.17Å; E279-K283 IonicContact OE1-NZ 2.64Å; E279-K283 PolarHBondContact OE1-NZ 3.48Å
280N94.3Very high93.8Very high82 Ų82100.9 Ų100.944%0.43950%0.504SS..Hα-helixtrans-65.1-47.5172.3-69.1-16.7000111.2S276 M282 K283 D284S276-N280 WeakPolarHBondContact O-CB 3.44Å; S276-N280 PolarHBondContact O-N 3.34Å; S276-N280 PolarHBondContact O-ND2 3.15Å; N280-M282 PolarHBondContact O-N 3.35Å; N280-K283 WeakPolarHBondContact O-CB 3.41Å; N280-K283 PolarHBondContact O-N 2.9Å; N280-D284 VanDerWaalsContact O-CG 3.24Å; N280-D284 PolarHBondContact O-N 2.84Å
281K94.6Very high93.7Very high99 Ų99100.1 Ų100.143%0.4350%0.498SS..Hα-helixtrans-59.8-29.2173.1-68.7159.5-165.7166.40112.4E277 K278 L285E277-K281 WeakPolarHBondContact O-CB 3.46Å; E277-K281 VanDerWaalsContact O-CD 3.24Å; E277-K281 WeakPolarHBondContact O-CD 3.48Å; E277-K281 WeakPolarHBondContact O-CG 3.39Å; E277-K281 PolarHBondContact O-N 3.42Å; E277-K281 IonicContact OE2-NZ 2.66Å; E277-K281 PolarHBondContact OE2-NZ 2.98Å; K278-K281 PolarHBondContact O-N 3.09Å; K281-L285 WeakPolarHBondContact O-CB 3.32Å; K281-L285 VanDerWaalsContact O-CG 3.25Å; K281-L285 WeakPolarHBondContact O-CG 3.43Å; K281-L285 PolarHBondContact O-N 3.42Å; K281-L285 VanDerWaalsContact O-N 3.08Å
282M92.4Very high93.4Very high117 Ų11798 Ų9858%0.57649%0.491SS*.Hα-helixtrans-72.7-41.8173.8-165.8-172.7-50.100111.5K278 E279 N280 L285 T286K278-M282 VanDerWaalsContact O-CB 3.29Å; K278-M282 WeakPolarHBondContact O-CB 3.26Å; K278-M282 PolarHBondContact O-N 2.92Å; E279-M282 WeakPolarHBondContact O-CB 3.31Å; E279-M282 PolarHBondContact O-N 3.28Å; N280-M282 PolarHBondContact O-N 3.35Å; M282-L285 PolarHBondContact O-N 3.23Å; M282-T286 WeakPolarHBondContact O-CB 3.46Å; M282-T286 PolarHBondContact O-N 3.07Å; M282-T286 PolarHBondContact O-OG1 3.38Å
283K93.8Very high93.3Very high106 Ų10699 Ų9946%0.46149%0.487SS..Hα-helixtrans-61.4-43172.7-68.7160.1-170.3161.60111.3E279 N280 L285 T286 F287E279-K283 WeakPolarHBondContact O-CG 3.09Å; E279-K283 PolarHBondContact O-N 3.07Å; E279-K283 WeakPolarHBondContact OE1-CE 3.17Å; E279-K283 IonicContact OE1-NZ 2.64Å; E279-K283 PolarHBondContact OE1-NZ 3.48Å; N280-K283 WeakPolarHBondContact O-CB 3.41Å; N280-K283 PolarHBondContact O-N 2.9Å; K283-L285 PolarHBondContact O-N 3.43Å; K283-T286 PolarHBondContact O-N 3.13Å; K283-F287 WeakPolarHBondContact O-CB 3.45Å; K283-F287 PolarHBondContact O-N 3.43Å
284D92.9Very high93.2Very high96 Ų9698.4 Ų98.451%0.51348%0.484SS..Hα-helixtrans-60.4-44.4174.9-60-30.5000111.5N280 F287 L288N280-D284 VanDerWaalsContact O-CG 3.24Å; N280-D284 PolarHBondContact O-N 2.84Å; D284-F287 PolarHBondContact O-N 3.23Å; D284-L288 WeakPolarHBondContact O-CG 3.3Å; D284-L288 PolarHBondContact O-N 2.9Å
285L93.1Very high93Very high116 Ų11698.6 Ų98.661%0.60748%0.484SS*.Hα-helixtrans-67.4-37.7175.7-75.4170000112.7K281 M282 K283 L288 L289K281-L285 WeakPolarHBondContact O-CB 3.32Å; K281-L285 VanDerWaalsContact O-CG 3.25Å; K281-L285 WeakPolarHBondContact O-CG 3.43Å; K281-L285 PolarHBondContact O-N 3.42Å; K281-L285 VanDerWaalsContact O-N 3.08Å; M282-L285 PolarHBondContact O-N 3.23Å; K283-L285 PolarHBondContact O-N 3.43Å; L285-L288 PolarHBondContact O-N 2.85Å; L285-L289 VanDerWaalsContact O-CB 3.31Å; L285-L289 WeakPolarHBondContact O-CB 3.45Å; L285-L289 PolarHBondContact O-N 3.35Å
286T93.9Very high92.9Very high84 Ų8497.6 Ų97.652%0.51548%0.482SS..Hα-helixtrans-64.5-40.9173.4-60.60000111.1M282 K283 L289 E290M282-T286 WeakPolarHBondContact O-CB 3.46Å; M282-T286 PolarHBondContact O-N 3.07Å; M282-T286 PolarHBondContact O-OG1 3.38Å; K283-T286 PolarHBondContact O-N 3.13Å; T286-L289 PolarHBondContact O-N 3.45Å; T286-E290 PolarHBondContact O-N 3.44Å
287F93.2Very high92.8Very high148 Ų14898.1 Ų98.165%0.64948%0.481SS*.Hα-helixtrans-63.5-46.3175.3-179.7-95000111.8K283 D284 L289 E290 E291K283-F287 WeakPolarHBondContact O-CB 3.45Å; K283-F287 PolarHBondContact O-N 3.43Å; D284-F287 PolarHBondContact O-N 3.23Å; F287-L289 VanDerWaalsContact C-N 3.29Å; F287-L289 PolarHBondContact O-N 2.9Å; F287-E290 PolarHBondContact O-N 3.06Å; F287-E291 WeakPolarHBondContact O-CB 3.43Å; F287-E291 PolarHBondContact O-N 2.82Å
288L93.4Very high92.6Very high95 Ų9598.8 Ų98.850%0.49748%0.484SS..Hα-helixtrans-62.3-35.4173.9-74.5167.3000112.6D284 L285 S292D284-L288 WeakPolarHBondContact O-CG 3.3Å; D284-L288 PolarHBondContact O-N 2.9Å; L285-L288 PolarHBondContact O-N 2.85Å; L288-S292 WeakPolarHBondContact O-CB 3.5Å; L288-S292 PolarHBondContact O-N 2.83Å
289L91.4Very high92.3Very high114 Ų11496.9 Ų96.960%0.59748%0.481SS*.Hα-helixtrans-66.6-47.1176.1-169.373.9000111L285 T286 F287 S292 R293L285-L289 VanDerWaalsContact O-CB 3.31Å; L285-L289 WeakPolarHBondContact O-CB 3.45Å; L285-L289 PolarHBondContact O-N 3.35Å; T286-L289 PolarHBondContact O-N 3.45Å; F287-L289 VanDerWaalsContact C-N 3.29Å; F287-L289 PolarHBondContact O-N 2.9Å; L289-S292 CarbonylContact O-C 3.58Å; L289-S292 WeakPolarHBondContact O-CB 3.36Å; L289-S292 PolarHBondContact O-N 3.09Å; L289-S292 PolarHBondContact O-OG 3.24Å; L289-R293 WeakPolarHBondContact O-CB 3.44Å; L289-R293 PolarHBondContact O-N 2.88Å
290E93.3Very high92.1Very high79 Ų7997.1 Ų97.137%0.36948%0.482SS..Hα-helixtrans-68.5-38.2178.9-152.766-166.400111.4T286 F287 S292 R293 D294T286-E290 PolarHBondContact O-N 3.44Å; F287-E290 PolarHBondContact O-N 3.06Å; E290-S292 VanDerWaalsContact C-N 3.28Å; E290-S292 PolarHBondContact O-N 3.47Å; E290-R293 CarbonylContact O-C 3.6Å; E290-R293 WeakPolarHBondContact O-CA 3.41Å; E290-R293 VanDerWaalsContact O-CB 3.31Å; E290-R293 WeakPolarHBondContact O-CB 3.32Å; E290-R293 PolarHBondContact O-N 3.37Å; E290-R293 VanDerWaalsContact OE1-CD 3.23Å; E290-R293 WeakPolarHBondContact OE1-CD 3.39Å; E290-R293 IonicContact OE1-CZ 2.61Å; E290-R293 IonicContact OE1-NE 2.67Å; E290-R293 IonicContact OE1-NH1 2.69Å; E290-R293 PolarHBondContact OE1-NH1 3.45Å; E290-R293 IonicContact OE2-NH1 2.69Å; E290-R293 PolarHBondContact OE2-NH1 2.87Å; E290-D294 PolarHBondContact O-N 2.97Å
291E92.1Very high91.8Very high82 Ų8299.6 Ų99.638%0.38349%0.491SS..Hα-helixtrans-62.6-34.7172-160.6-137.4179.800111.9F287 K295F287-E291 WeakPolarHBondContact O-CB 3.43Å; F287-E291 PolarHBondContact O-N 2.82Å; E291-K295 VanDerWaalsContact CD-CE 3.46Å; E291-K295 VanDerWaalsContact O-CD 3.32Å; E291-K295 WeakPolarHBondContact O-CD 3.47Å; E291-K295 VanDerWaalsContact O-CG 3.23Å; E291-K295 WeakPolarHBondContact O-CG 3.24Å; E291-K295 PolarHBondContact O-N 3.47Å; E291-K295 WeakPolarHBondContact OE1-CE 3.44Å; E291-K295 IonicContact OE1-NZ 2.72Å; E291-K295 PolarHBondContact OE1-NZ 3.35Å; E291-K295 IonicContact OE2-NZ 3.35Å; E291-K295 PolarHBondContact OE2-NZ 2.7Å
292S88.4Confident91.6Very high52 Ų52100.2 Ų100.236%0.36449%0.493SS..Hα-helixtrans-70.4-35.5171.983.30000112.4L288 L289 E290 K295 V296L288-S292 WeakPolarHBondContact O-CB 3.5Å; L288-S292 PolarHBondContact O-N 2.83Å; L289-S292 CarbonylContact O-C 3.58Å; L289-S292 WeakPolarHBondContact O-CB 3.36Å; L289-S292 PolarHBondContact O-N 3.09Å; L289-S292 PolarHBondContact O-OG 3.24Å; E290-S292 VanDerWaalsContact C-N 3.28Å; E290-S292 PolarHBondContact O-N 3.47Å; S292-K295 WeakPolarHBondContact O-CB 3.44Å; S292-K295 PolarHBondContact O-N 3.32Å; S292-V296 WeakPolarHBondContact O-CG2 3.36Å; S292-V296 PolarHBondContact O-N 3.27Å
293R92.9Very high91.3Very high140 Ų14098.7 Ų98.753%0.52849%0.491SS..Hα-helixtrans-66.7-43.9176.9-168.5-167.5-168.91743.9111L289 E290 K295 V296 N297L289-R293 WeakPolarHBondContact O-CB 3.44Å; L289-R293 PolarHBondContact O-N 2.88Å; E290-R293 CarbonylContact O-C 3.6Å; E290-R293 WeakPolarHBondContact O-CA 3.41Å; E290-R293 VanDerWaalsContact O-CB 3.31Å; E290-R293 WeakPolarHBondContact O-CB 3.32Å; E290-R293 PolarHBondContact O-N 3.37Å; E290-R293 VanDerWaalsContact OE1-CD 3.23Å; E290-R293 WeakPolarHBondContact OE1-CD 3.39Å; E290-R293 IonicContact OE1-CZ 2.61Å; E290-R293 IonicContact OE1-NE 2.67Å; E290-R293 IonicContact OE1-NH1 2.69Å; E290-R293 PolarHBondContact OE1-NH1 3.45Å; E290-R293 IonicContact OE2-NH1 2.69Å; E290-R293 PolarHBondContact OE2-NH1 2.87Å; R293-K295 VanDerWaalsContact C-N 3.32Å; R293-K295 PolarHBondContact O-N 3.26Å; R293-V296 CarbonylContact O-C 3.55Å; R293-V296 WeakPolarHBondContact O-CA 3.49Å; R293-V296 WeakPolarHBondContact O-CB 3.42Å; R293-V296 PolarHBondContact O-N 3.33Å; R293-V296 VanDerWaalsContact O-N 3.11Å; R293-N297 PolarHBondContact O-N 3.41Å; R293-N297 PolarHBondContact O-ND2 3Å; R293-N297 PolarHBondContact O-OD1 2.92Å
294D92.9Very high91.1Very high81 Ų8198.9 Ų98.943%0.43349%0.492SS..Hα-helixtrans-62.7-38.6174.3-79.1-22.3000112.1E290 V296 N297 Q298E290-D294 PolarHBondContact O-N 2.97Å; D294-V296 VanDerWaalsContact C-N 3.34Å; D294-N297 PolarHBondContact O-N 3.38Å; D294-Q298 WeakPolarHBondContact O-CB 3.3Å; D294-Q298 VanDerWaalsContact O-CG 3.27Å; D294-Q298 WeakPolarHBondContact O-CG 3.37Å; D294-Q298 PolarHBondContact O-N 2.91Å
295K92.4Very high90.9Very high98 Ų9899.4 Ų99.443%0.42649%0.494SS..Hα-helixtrans-63-39.7171.9-70.3162.9-171.4172.20111.8E291 S292 R293 L299E291-K295 VanDerWaalsContact CD-CE 3.46Å; E291-K295 VanDerWaalsContact O-CD 3.32Å; E291-K295 WeakPolarHBondContact O-CD 3.47Å; E291-K295 VanDerWaalsContact O-CG 3.23Å; E291-K295 WeakPolarHBondContact O-CG 3.24Å; E291-K295 PolarHBondContact O-N 3.47Å; E291-K295 WeakPolarHBondContact OE1-CE 3.44Å; E291-K295 IonicContact OE1-NZ 2.72Å; E291-K295 PolarHBondContact OE1-NZ 3.35Å; E291-K295 IonicContact OE2-NZ 3.35Å; E291-K295 PolarHBondContact OE2-NZ 2.7Å; S292-K295 WeakPolarHBondContact O-CB 3.44Å; S292-K295 PolarHBondContact O-N 3.32Å; R293-K295 VanDerWaalsContact C-N 3.32Å; R293-K295 PolarHBondContact O-N 3.26Å; K295-L299 VanDerWaalsContact O-CG 3.27Å; K295-L299 WeakPolarHBondContact O-CG 3.32Å; K295-L299 PolarHBondContact O-N 2.98Å
296V89.3Confident90.5Very high84 Ų84100.4 Ų100.451%0.50950%0.495SS..Hα-helixtrans-66.2-46.3173.8169.30000111.3S292 R293 D294 Q298 L299 E300S292-V296 WeakPolarHBondContact O-CG2 3.36Å; S292-V296 PolarHBondContact O-N 3.27Å; R293-V296 CarbonylContact O-C 3.55Å; R293-V296 WeakPolarHBondContact O-CA 3.49Å; R293-V296 WeakPolarHBondContact O-CB 3.42Å; R293-V296 PolarHBondContact O-N 3.33Å; R293-V296 VanDerWaalsContact O-N 3.11Å; D294-V296 VanDerWaalsContact C-N 3.34Å; V296-Q298 VanDerWaalsContact C-N 3.35Å; V296-Q298 PolarHBondContact O-N 2.83Å; V296-L299 CarbonylContact O-C 3.6Å; V296-L299 PolarHBondContact O-N 3.3Å; V296-L299 VanDerWaalsContact O-N 3.08Å; V296-E300 PolarHBondContact O-N 3.48Å
297N91.4Very high90Very high64 Ų6499.7 Ų99.734%0.34249%0.494SS..Hα-helixtrans-55.6-49176.5-64.7-25.4000110.7R293 D294 L299 E300 E301R293-N297 PolarHBondContact O-N 3.41Å; R293-N297 PolarHBondContact O-ND2 3Å; R293-N297 PolarHBondContact O-OD1 2.92Å; D294-N297 PolarHBondContact O-N 3.38Å; N297-L299 VanDerWaalsContact C-N 3.31Å; N297-L299 PolarHBondContact O-N 3.07Å; N297-E300 PolarHBondContact O-N 3.24Å; N297-E301 PolarHBondContact O-N 3.31Å
298Q90.6Very high89.7Confident103 Ų10398.9 Ų98.948%0.48149%0.492SS..Hα-helixtrans-63.3-32.6176.7-72.2175.333.500113.5D294 V296 K302D294-Q298 WeakPolarHBondContact O-CB 3.3Å; D294-Q298 VanDerWaalsContact O-CG 3.27Å; D294-Q298 WeakPolarHBondContact O-CG 3.37Å; D294-Q298 PolarHBondContact O-N 2.91Å; V296-Q298 VanDerWaalsContact C-N 3.35Å; V296-Q298 PolarHBondContact O-N 2.83Å; Q298-K302 WeakPolarHBondContact O-CB 3.39Å; Q298-K302 VanDerWaalsContact O-CD 3.3Å; Q298-K302 WeakPolarHBondContact O-CD 3.41Å; Q298-K302 WeakPolarHBondContact O-CG 3.47Å; Q298-K302 PolarHBondContact O-N 3.07Å; Q298-K302 VanDerWaalsContact O-N 3.14Å
299L88.4Confident89.4Confident107 Ų10798.6 Ų98.656%0.5649%0.491SS*.Hα-helixtrans-72.4-41.2173.9-74.6169.3000110.8K295 V296 N297 K302 T303K295-L299 VanDerWaalsContact O-CG 3.27Å; K295-L299 WeakPolarHBondContact O-CG 3.32Å; K295-L299 PolarHBondContact O-N 2.98Å; V296-L299 CarbonylContact O-C 3.6Å; V296-L299 PolarHBondContact O-N 3.3Å; V296-L299 VanDerWaalsContact O-N 3.08Å; N297-L299 VanDerWaalsContact C-N 3.31Å; N297-L299 PolarHBondContact O-N 3.07Å; L299-K302 PolarHBondContact O-N 3.4Å; L299-T303 WeakPolarHBondContact O-CB 3.15Å; L299-T303 PolarHBondContact O-N 3.26Å; L299-T303 PolarHBondContact O-OG1 2.88Å
300E90.1Very high89.1Confident93 Ų9398.4 Ų98.444%0.43549%0.49SS..Hα-helixtrans-64.4-40.9176.9-158.5-169.6132.900111.7V296 N297 T303 K304V296-E300 PolarHBondContact O-N 3.48Å; N297-E300 PolarHBondContact O-N 3.24Å; E300-T303 PolarHBondContact O-N 3.36Å; E300-K304 WeakPolarHBondContact O-CB 3.46Å; E300-K304 VanDerWaalsContact O-CG 3.3Å; E300-K304 WeakPolarHBondContact O-CG 3.39Å; E300-K304 PolarHBondContact O-N 2.95Å; E300-K304 WeakPolarHBondContact OE1-CE 3.48Å; E300-K304 IonicContact OE1-NZ 3.65Å; E300-K304 PolarHBondContact OE1-NZ 3.41Å
301E88.5Confident88.9Confident134 Ų134100.4 Ų100.463%0.62650%0.497SS*.Hα-helixtrans-62.5-44171.8-73.7-172.1156.500112.5N297 T303 K304 L305N297-E301 PolarHBondContact O-N 3.31Å; E301-T303 VanDerWaalsContact C-N 3.31Å; E301-T303 PolarHBondContact O-N 2.91Å; E301-K304 PolarHBondContact O-N 3.41Å; E301-L305 WeakPolarHBondContact O-CB 3.3Å; E301-L305 PolarHBondContact O-N 3.14Å
302K89.2Confident88.6Confident112 Ų112101 Ų10149%0.48750%0.5SS..Hα-helixtrans-61.4-39.8173.8-75.3164.6-172.4160.50111.5Q298 L299 Q306Q298-K302 WeakPolarHBondContact O-CB 3.39Å; Q298-K302 VanDerWaalsContact O-CD 3.3Å; Q298-K302 WeakPolarHBondContact O-CD 3.41Å; Q298-K302 WeakPolarHBondContact O-CG 3.47Å; Q298-K302 PolarHBondContact O-N 3.07Å; Q298-K302 VanDerWaalsContact O-N 3.14Å; L299-K302 PolarHBondContact O-N 3.4Å; K302-Q306 WeakPolarHBondContact O-CB 3.35Å; K302-Q306 VanDerWaalsContact O-CG 3.28Å; K302-Q306 WeakPolarHBondContact O-CG 3.37Å; K302-Q306 PolarHBondContact O-N 3.44Å
303T87.3Confident88.2Confident85 Ų85101.8 Ų101.852%0.52151%0.505SS..Hα-helixtrans-67-41.7175.8-600000111.8L299 E300 E301 Q306 S307L299-T303 WeakPolarHBondContact O-CB 3.15Å; L299-T303 PolarHBondContact O-N 3.26Å; L299-T303 PolarHBondContact O-OG1 2.88Å; E300-T303 PolarHBondContact O-N 3.36Å; E301-T303 VanDerWaalsContact C-N 3.31Å; E301-T303 PolarHBondContact O-N 2.91Å; T303-Q306 PolarHBondContact O-N 3.29Å; T303-S307 WeakPolarHBondContact O-CB 3.24Å; T303-S307 PolarHBondContact O-N 2.82Å; T303-S307 PolarHBondContact O-OG 3.09Å
304K89.6Confident87.9Confident110 Ų11098.6 Ų98.648%0.47850%0.498SS..Hα-helixtrans-58.6-52.5172.9-74.7164.3-175.3163.90110.7E300 E301 Q306 S307 E308E300-K304 WeakPolarHBondContact O-CB 3.46Å; E300-K304 VanDerWaalsContact O-CG 3.3Å; E300-K304 WeakPolarHBondContact O-CG 3.39Å; E300-K304 PolarHBondContact O-N 2.95Å; E300-K304 WeakPolarHBondContact OE1-CE 3.48Å; E300-K304 IonicContact OE1-NZ 3.65Å; E300-K304 PolarHBondContact OE1-NZ 3.41Å; E301-K304 PolarHBondContact O-N 3.41Å; K304-Q306 VanDerWaalsContact C-N 3.31Å; K304-Q306 PolarHBondContact O-N 3.1Å; K304-S307 PolarHBondContact O-N 2.89Å; K304-S307 PolarHBondContact O-OG 3.23Å; K304-E308 PolarHBondContact O-N 2.65Å
305L88.1Confident87.7Confident106 Ų10699.3 Ų99.356%0.55550%0.499SS*.Hα-helixtrans-59.5-39.3177.8-173.366.6000112.3E301 N309E301-L305 WeakPolarHBondContact O-CB 3.3Å; E301-L305 PolarHBondContact O-N 3.14Å; L305-N309 WeakPolarHBondContact O-CB 3.24Å; L305-N309 PolarHBondContact O-N 3.26Å; L305-N309 PolarHBondContact O-ND2 3.23Å
306Q83.8Confident87.5Confident137 Ų137100.1 Ų100.164%0.6450%0.502SS*.Hα-helixtrans-65.8-41.9173.2-77.6176.3-10.500112.4K302 T303 K304 E308 N309 L310K302-Q306 WeakPolarHBondContact O-CB 3.35Å; K302-Q306 VanDerWaalsContact O-CG 3.28Å; K302-Q306 WeakPolarHBondContact O-CG 3.37Å; K302-Q306 PolarHBondContact O-N 3.44Å; T303-Q306 PolarHBondContact O-N 3.29Å; K304-Q306 VanDerWaalsContact C-N 3.31Å; K304-Q306 PolarHBondContact O-N 3.1Å; Q306-E308 VanDerWaalsContact C-N 3.34Å; Q306-E308 PolarHBondContact O-N 3.26Å; Q306-N309 PolarHBondContact O-N 3.39Å; Q306-L310 WeakPolarHBondContact O-CB 3.37Å; Q306-L310 PolarHBondContact O-N 3.35Å
307S83.4Confident87.2Confident69 Ų69102 Ų10248%0.48351%0.505SS..Hα-helixtrans-66-35.3177.575.80000112.6T303 K304 L310 K311T303-S307 WeakPolarHBondContact O-CB 3.24Å; T303-S307 PolarHBondContact O-N 2.82Å; T303-S307 PolarHBondContact O-OG 3.09Å; K304-S307 PolarHBondContact O-N 2.89Å; K304-S307 PolarHBondContact O-OG 3.23Å; S307-L310 PolarHBondContact O-N 3.43Å; S307-K311 WeakPolarHBondContact O-CB 3.41Å; S307-K311 PolarHBondContact O-N 3.27Å
308E88Confident86.8Confident131 Ų131104.9 Ų104.961%0.61252%0.517SS*.Hα-helixtrans-74.1-40.1177.7-171.9158.7-135.900111.8K304 Q306 L310 K311 Q312K304-E308 PolarHBondContact O-N 2.65Å; Q306-E308 VanDerWaalsContact C-N 3.34Å; Q306-E308 PolarHBondContact O-N 3.26Å; E308-L310 VanDerWaalsContact C-N 3.33Å; E308-L310 PolarHBondContact O-N 2.61Å; E308-K311 PolarHBondContact O-N 3.47Å; E308-Q312 WeakPolarHBondContact O-CB 3.41Å; E308-Q312 PolarHBondContact O-N 2.87Å
309N87.4Confident86.5Confident90 Ų90105.6 Ų105.648%0.48152%0.52SS..Hα-helixtrans-61.2-41168.8-80.2-63.5000112L305 Q306 Q312 S313L305-N309 WeakPolarHBondContact O-CB 3.24Å; L305-N309 PolarHBondContact O-N 3.26Å; L305-N309 PolarHBondContact O-ND2 3.23Å; Q306-N309 PolarHBondContact O-N 3.39Å; N309-Q312 PolarHBondContact O-N 3.24Å; N309-S313 WeakPolarHBondContact O-CB 3.43Å; N309-S313 PolarHBondContact O-N 2.94Å
310L84.6Confident86.5Confident109 Ų109105.9 Ų105.957%0.57152%0.522SS*.Hα-helixtrans-64.2-44.9176-173.169.3000111.2Q306 S307 E308 Q312 S313 I314Q306-L310 WeakPolarHBondContact O-CB 3.37Å; Q306-L310 PolarHBondContact O-N 3.35Å; S307-L310 PolarHBondContact O-N 3.43Å; E308-L310 VanDerWaalsContact C-N 3.33Å; E308-L310 PolarHBondContact O-N 2.61Å; L310-Q312 PolarHBondContact O-N 3.2Å; L310-S313 WeakPolarHBondContact O-CB 3.48Å; L310-S313 PolarHBondContact O-N 3.45Å; L310-S313 VanDerWaalsContact O-N 3.14Å; L310-I314 HydrophobicContact CG-CD1 4.08Å; L310-I314 WeakPolarHBondContact O-CG1 3.31Å; L310-I314 PolarHBondContact O-N 2.88Å
311K88.2Confident86.1Confident122 Ų122105.2 Ų105.253%0.5352%0.524SS..Hα-helixtrans-57.8-47.8173.8179.4177.3-179.6-78.60111.5S307 E308 S313 I314 E315S307-K311 WeakPolarHBondContact O-CB 3.41Å; S307-K311 PolarHBondContact O-N 3.27Å; E308-K311 PolarHBondContact O-N 3.47Å; K311-S313 VanDerWaalsContact C-N 3.27Å; K311-S313 PolarHBondContact O-N 3.3Å; K311-I314 PolarHBondContact O-N 2.9Å; K311-I314 VanDerWaalsContact O-N 3.15Å; K311-E315 WeakPolarHBondContact CE-OE1 3.42Å; K311-E315 IonicContact NZ-OE1 3.11Å; K311-E315 PolarHBondContact NZ-OE1 3Å; K311-E315 WeakPolarHBondContact O-CG 3.43Å; K311-E315 PolarHBondContact O-N 2.99Å
312Q85.7Confident86.1Confident95 Ų95105.5 Ų105.544%0.44452%0.523SS..Hα-helixtrans-64-32.6176.8-162.6-166.484.100112E308 N309 L310 K316E308-Q312 WeakPolarHBondContact O-CB 3.41Å; E308-Q312 PolarHBondContact O-N 2.87Å; N309-Q312 PolarHBondContact O-N 3.24Å; L310-Q312 PolarHBondContact O-N 3.2Å; Q312-K316 WeakPolarHBondContact O-CB 3.11Å; Q312-K316 WeakPolarHBondContact O-CD 3.37Å; Q312-K316 VanDerWaalsContact O-CG 3.25Å; Q312-K316 WeakPolarHBondContact O-CG 3.29Å; Q312-K316 PolarHBondContact O-N 2.69Å
313S81.5Confident85.9Confident67 Ų67104.2 Ų104.247%0.46952%0.519SS..Hα-helixtrans-69.6-37.5173.3-165.80000112.5N309 L310 K311 K316 Q317N309-S313 WeakPolarHBondContact O-CB 3.43Å; N309-S313 PolarHBondContact O-N 2.94Å; L310-S313 WeakPolarHBondContact O-CB 3.48Å; L310-S313 PolarHBondContact O-N 3.45Å; L310-S313 VanDerWaalsContact O-N 3.14Å; K311-S313 VanDerWaalsContact C-N 3.27Å; K311-S313 PolarHBondContact O-N 3.3Å; S313-K316 PolarHBondContact O-N 2.92Å; S313-Q317 WeakPolarHBondContact O-CB 3.35Å; S313-Q317 PolarHBondContact O-N 3.47Å
314I86.6Confident85.7Confident73 Ų73105.5 Ų105.537%0.37452%0.522SS..Hα-helixtrans-67.6-42.1174.7-70.9163.7000110.4L310 K311 K316 Q317 H318L310-I314 HydrophobicContact CG-CD1 4.08Å; L310-I314 WeakPolarHBondContact O-CG1 3.31Å; L310-I314 PolarHBondContact O-N 2.88Å; K311-I314 PolarHBondContact O-N 2.9Å; K311-I314 VanDerWaalsContact O-N 3.15Å; I314-K316 PolarHBondContact O-N 2.74Å; I314-Q317 WeakPolarHBondContact O-CB 3.4Å; I314-Q317 PolarHBondContact O-N 3.36Å; I314-H318 PolarHBondContact O-CD2 3.26Å; I314-H318 PolarHBondContact O-N 2.9Å
315E87.5Confident85.6Confident97 Ų97104.2 Ų104.245%0.45352%0.517SS..Hα-helixtrans-60.4-43.7173.7-72.9167.3-17700111.6K311 H318 H319K311-E315 WeakPolarHBondContact CE-OE1 3.42Å; K311-E315 IonicContact NZ-OE1 3.11Å; K311-E315 PolarHBondContact NZ-OE1 3Å; K311-E315 WeakPolarHBondContact O-CG 3.43Å; K311-E315 PolarHBondContact O-N 2.99Å; E315-H318 PolarHBondContact O-N 2.9Å; E315-H319 PolarHBondContact O-N 2.93Å
316K87.9Confident85.4Confident114 Ų114103.3 Ų103.350%0.49651%0.513SS..Hα-helixtrans-62.1-41171.8-73.4163.2179.1167.80112.6Q312 S313 I314 H319 L320Q312-K316 WeakPolarHBondContact O-CB 3.11Å; Q312-K316 WeakPolarHBondContact O-CD 3.37Å; Q312-K316 VanDerWaalsContact O-CG 3.25Å; Q312-K316 WeakPolarHBondContact O-CG 3.29Å; Q312-K316 PolarHBondContact O-N 2.69Å; S313-K316 PolarHBondContact O-N 2.92Å; I314-K316 PolarHBondContact O-N 2.74Å; K316-H319 WeakPolarHBondContact O-CB 3.5Å; K316-H319 PolarHBondContact O-N 3.5Å; K316-L320 WeakPolarHBondContact O-CG 3.47Å; K316-L320 PolarHBondContact O-N 2.99Å
317Q83.4Confident85.4Confident123 Ų123102.5 Ų102.558%0.57551%0.512SS*.Hα-helixtrans-63.7-41.2176-176.3179.3-6.100111.4S313 I314 L320 T321S313-Q317 WeakPolarHBondContact O-CB 3.35Å; S313-Q317 PolarHBondContact O-N 3.47Å; I314-Q317 WeakPolarHBondContact O-CB 3.4Å; I314-Q317 PolarHBondContact O-N 3.36Å; Q317-L320 PolarHBondContact O-N 3.47Å; Q317-T321 WeakPolarHBondContact O-CB 3.42Å; Q317-T321 PolarHBondContact O-N 2.86Å; Q317-T321 PolarHBondContact O-OG1 2.98Å
318H83.4Confident85.6Confident126 Ų126104.2 Ų104.258%0.58351%0.511SS*.Hα-helixtrans-65.4-38.1174.9-76.1-61.1000112.8I314 E315 T321 K322I314-H318 PolarHBondContact O-CD2 3.26Å; I314-H318 PolarHBondContact O-N 2.9Å; E315-H318 PolarHBondContact O-N 2.9Å; H318-T321 PolarHBondContact O-N 3.43Å; H318-K322 WeakPolarHBondContact O-CB 3.44Å; H318-K322 PolarHBondContact O-N 3.36Å
319H84.9Confident85.3Confident117 Ų117100.9 Ų100.954%0.54250%0.499SS..Hα-helixtrans-58.5-55172.7-166.8-75.5000111.5E315 K316 T321 K322 E323E315-H319 PolarHBondContact O-N 2.93Å; K316-H319 WeakPolarHBondContact O-CB 3.5Å; K316-H319 PolarHBondContact O-N 3.5Å; H319-T321 VanDerWaalsContact C-N 3.29Å; H319-T321 PolarHBondContact O-N 3.06Å; H319-K322 WeakPolarHBondContact O-CB 3.29Å; H319-K322 PolarHBondContact O-N 3.43Å; H319-E323 IonicContact CE1-OE1 3.34Å; H319-E323 PolarHBondContact CE1-OE1 3.03Å; H319-E323 IonicContact CE1-OE2 3.73Å; H319-E323 PolarHBondContact CE1-OE2 2.83Å; H319-E323 IonicContact CG-OE2 3.1Å; H319-E323 IonicContact ND1-OE1 2.76Å; H319-E323 IonicContact ND1-OE2 3.71Å; H319-E323 PolarHBondContact ND1-OE2 2.86Å; H319-E323 PolarHBondContact O-N 3.05Å
320L86.4Confident85Confident114 Ų11499.5 Ų99.560%0.59750%0.497SS*.Hα-helixtrans-60.4-37.7178.8-70167.4000112.5K316 Q317 L324K316-L320 WeakPolarHBondContact O-CG 3.47Å; K316-L320 PolarHBondContact O-N 2.99Å; Q317-L320 PolarHBondContact O-N 3.47Å; L320-L324 VanDerWaalsContact O-CB 3.3Å; L320-L324 WeakPolarHBondContact O-CB 3.43Å; L320-L324 PolarHBondContact O-N 3.4Å
321T83.6Confident84.9Confident78 Ų7899.6 Ų99.648%0.47950%0.497SS..Hα-helixtrans-64.9-39.9175.3-550000111.3Q317 H318 H319 E325Q317-T321 WeakPolarHBondContact O-CB 3.42Å; Q317-T321 PolarHBondContact O-N 2.86Å; Q317-T321 PolarHBondContact O-OG1 2.98Å; H318-T321 PolarHBondContact O-N 3.43Å; H319-T321 VanDerWaalsContact C-N 3.29Å; H319-T321 PolarHBondContact O-N 3.06Å; T321-E325 PolarHBondContact O-N 3.36Å
322K87.3Confident84.8Confident141 Ų14199.9 Ų99.961%0.61350%0.5SS*.Hα-helixtrans-66.8-48176.2-172.8-167.5170.2-166.40111.4H318 H319 L324 E325 D326H318-K322 WeakPolarHBondContact O-CB 3.44Å; H318-K322 PolarHBondContact O-N 3.36Å; H319-K322 WeakPolarHBondContact O-CB 3.29Å; H319-K322 PolarHBondContact O-N 3.43Å; K322-L324 VanDerWaalsContact C-N 3.28Å; K322-L324 PolarHBondContact O-N 3.15Å; K322-E325 PolarHBondContact O-N 2.89Å; K322-E325 VanDerWaalsContact O-N 3.1Å; K322-D326 WeakPolarHBondContact CE-OD2 3.44Å; K322-D326 PolarHBondContact O-N 2.85Å
323E84.7Confident84.6Confident85 Ų85102.7 Ų102.740%0.39751%0.507SS..Hα-helixtrans-57.5-41.7176.5-71.1173.5119.600111.7H319 E325 D326 I327H319-E323 IonicContact CE1-OE1 3.34Å; H319-E323 PolarHBondContact CE1-OE1 3.03Å; H319-E323 IonicContact CE1-OE2 3.73Å; H319-E323 PolarHBondContact CE1-OE2 2.83Å; H319-E323 IonicContact CG-OE2 3.1Å; H319-E323 IonicContact ND1-OE1 2.76Å; H319-E323 IonicContact ND1-OE2 3.71Å; H319-E323 PolarHBondContact ND1-OE2 2.86Å; H319-E323 PolarHBondContact O-N 3.05Å; E323-E325 PolarHBondContact O-N 3.31Å; E323-D326 PolarHBondContact O-N 2.7Å; E323-I327 WeakPolarHBondContact O-CB 3.36Å; E323-I327 WeakPolarHBondContact O-CD1 3.48Å; E323-I327 WeakPolarHBondContact O-CG1 3.47Å; E323-I327 PolarHBondContact O-N 3.17Å
324L84.4Confident84.5Confident112 Ų112102 Ų10259%0.58650%0.502SS*.Hα-helixtrans-64.2-38.4176-172.3149.6000112.2L320 K322 K328L320-L324 VanDerWaalsContact O-CB 3.3Å; L320-L324 WeakPolarHBondContact O-CB 3.43Å; L320-L324 PolarHBondContact O-N 3.4Å; K322-L324 VanDerWaalsContact C-N 3.28Å; K322-L324 PolarHBondContact O-N 3.15Å; L324-K328 WeakPolarHBondContact O-CB 3.35Å; L324-K328 PolarHBondContact O-N 2.96Å
325E86.1Confident84.3Confident82 Ų82102.2 Ų102.238%0.38351%0.506SS..Hα-helixtrans-71.5-39.7175.2-167.859.1-140.900112.3T321 K322 E323 I327 K328 V329T321-E325 PolarHBondContact O-N 3.36Å; K322-E325 PolarHBondContact O-N 2.89Å; K322-E325 VanDerWaalsContact O-N 3.1Å; E323-E325 PolarHBondContact O-N 3.31Å; E325-I327 VanDerWaalsContact C-N 3.34Å; E325-I327 PolarHBondContact O-N 3.07Å; E325-K328 PolarHBondContact O-N 2.76Å; E325-K328 IonicContact OE1-NZ 3.98Å; E325-K328 PolarHBondContact OE1-NZ 3.4Å; E325-K328 IonicContact OE2-NZ 2.65Å; E325-K328 PolarHBondContact OE2-NZ 3.04Å; E325-V329 WeakPolarHBondContact O-CG2 3.38Å; E325-V329 PolarHBondContact O-N 2.84Å
326D84.1Confident83.9Confident88 Ų88101 Ų10147%0.47151%0.509SS..Hα-helixtrans-63.5-38.5174.7-77.1-35.2000111.5K322 E323 S330K322-D326 WeakPolarHBondContact CE-OD2 3.44Å; K322-D326 PolarHBondContact O-N 2.85Å; E323-D326 PolarHBondContact O-N 2.7Å; D326-S330 WeakPolarHBondContact O-CB 3.41Å; D326-S330 PolarHBondContact O-N 3.18Å; D326-S330 PolarHBondContact O-OG 3.04Å
327I84.9Confident83.3Confident119 Ų11999.6 Ų99.661%0.6151%0.51SS*.Hα-helixtrans-65.1-45170.8-70.6165.2000110.8E323 E325 S330 L331E323-I327 WeakPolarHBondContact O-CB 3.36Å; E323-I327 WeakPolarHBondContact O-CD1 3.48Å; E323-I327 WeakPolarHBondContact O-CG1 3.47Å; E323-I327 PolarHBondContact O-N 3.17Å; E325-I327 VanDerWaalsContact C-N 3.34Å; E325-I327 PolarHBondContact O-N 3.07Å; I327-S330 WeakPolarHBondContact O-CB 3.28Å; I327-S330 PolarHBondContact O-N 2.67Å; I327-S330 VanDerWaalsContact O-N 3.17Å; I327-L331 WeakPolarHBondContact O-CB 3.29Å; I327-L331 PolarHBondContact O-N 3.15Å
328K86.1Confident83.1Confident105 Ų10599.8 Ų99.846%0.45751%0.511SS..Hα-helixtrans-63.2-41.5178.8167.8165.5158.7-85.80112.5L324 E325 S330 L331 Q332L324-K328 WeakPolarHBondContact O-CB 3.35Å; L324-K328 PolarHBondContact O-N 2.96Å; E325-K328 PolarHBondContact O-N 2.76Å; E325-K328 IonicContact OE1-NZ 3.98Å; E325-K328 PolarHBondContact OE1-NZ 3.4Å; E325-K328 IonicContact OE2-NZ 2.65Å; E325-K328 PolarHBondContact OE2-NZ 3.04Å; K328-S330 VanDerWaalsContact C-N 3.33Å; K328-L331 PolarHBondContact O-N 3.44Å; K328-Q332 WeakPolarHBondContact O-CB 3.39Å; K328-Q332 PolarHBondContact O-N 2.87Å
329V82.8Confident82.9Confident62 Ų62100 Ų10038%0.37651%0.51SS..Hα-helixtrans-65.1-37.4172.5169.30000111.3E325 Q332 R333E325-V329 WeakPolarHBondContact O-CG2 3.38Å; E325-V329 PolarHBondContact O-N 2.84Å; V329-Q332 PolarHBondContact O-N 3.18Å; V329-R333 WeakPolarHBondContact O-CB 3.37Å; V329-R333 PolarHBondContact O-N 3.45Å
330S80.9Confident82.5Confident61 Ų6196.8 Ų96.843%0.42750%0.503SS..Hα-helixtrans-67.8-41.2176.1-59.60000112.2D326 I327 K328 R333 S334D326-S330 WeakPolarHBondContact O-CB 3.41Å; D326-S330 PolarHBondContact O-N 3.18Å; D326-S330 PolarHBondContact O-OG 3.04Å; I327-S330 WeakPolarHBondContact O-CB 3.28Å; I327-S330 PolarHBondContact O-N 2.67Å; I327-S330 VanDerWaalsContact O-N 3.17Å; K328-S330 VanDerWaalsContact C-N 3.33Å; S330-R333 WeakPolarHBondContact O-CB 3.15Å; S330-R333 PolarHBondContact O-N 2.86Å; S330-S334 PolarHBondContact O-N 2.72Å
331L82.8Confident82.2Confident110 Ų11096.9 Ų96.958%0.57650%0.504SS*.Hα-helixtrans-63-47.1173-176.964.7000111.2I327 K328 R333 S334 V335I327-L331 WeakPolarHBondContact O-CB 3.29Å; I327-L331 PolarHBondContact O-N 3.15Å; K328-L331 PolarHBondContact O-N 3.44Å; L331-R333 VanDerWaalsContact C-N 3.26Å; L331-R333 PolarHBondContact O-N 2.93Å; L331-S334 WeakPolarHBondContact CA-OG 3.38Å; L331-S334 PolarHBondContact O-N 3.27Å; L331-S334 VanDerWaalsContact O-N 3.07Å; L331-S334 PolarHBondContact O-OG 3.45Å; L331-V335 WeakPolarHBondContact O-CG2 3.45Å; L331-V335 PolarHBondContact O-N 3.3Å
332Q85.6Confident82Confident129 Ų12998.8 Ų98.860%0.60351%0.508SS*.Hα-helixtrans-55.1-42.3174.5-170.374.628.400111.5K328 V329 S336K328-Q332 WeakPolarHBondContact O-CB 3.39Å; K328-Q332 PolarHBondContact O-N 2.87Å; V329-Q332 PolarHBondContact O-N 3.18Å; Q332-S336 PolarHBondContact O-N 3.27Å; Q332-S336 VanDerWaalsContact O-N 3.15Å; Q332-S336 PolarHBondContact O-OG 2.89Å
333R82.3Confident81.6Confident154 Ų15497 Ų9758%0.58150%0.502SS*.Hα-helixtrans-64.6-42.3176.1-167.4-178.5-63.6127.51.6111.9V329 S330 L331 S336 T337V329-R333 WeakPolarHBondContact O-CB 3.37Å; V329-R333 PolarHBondContact O-N 3.45Å; S330-R333 WeakPolarHBondContact O-CB 3.15Å; S330-R333 PolarHBondContact O-N 2.86Å; L331-R333 VanDerWaalsContact C-N 3.26Å; L331-R333 PolarHBondContact O-N 2.93Å; R333-S336 PolarHBondContact O-N 2.91Å; R333-T337 PolarHBondContact O-N 2.72Å; R333-T337 PolarHBondContact O-OG1 3.44Å
334S79.1Confident81.3Confident53 Ų5397.7 Ų97.737%0.37151%0.508SS..Hα-helixtrans-66-37.8178.270.40000113.2S330 L331 T337 Q338S330-S334 PolarHBondContact O-N 2.72Å; L331-S334 WeakPolarHBondContact CA-OG 3.38Å; L331-S334 PolarHBondContact O-N 3.27Å; L331-S334 VanDerWaalsContact O-N 3.07Å; L331-S334 PolarHBondContact O-OG 3.45Å; S334-T337 WeakPolarHBondContact CA-OG1 3.05Å; S334-T337 PolarHBondContact O-N 3.37Å; S334-T337 PolarHBondContact O-OG1 2.83Å; S334-Q338 WeakPolarHBondContact O-CB 3.49Å; S334-Q338 PolarHBondContact O-N 3.23Å
335V81.2Confident80.9Confident76 Ų7698 Ų9846%0.46151%0.509SS..Hα-helixtrans-64.3-41.5174.2171.50000110.9L331 T337 Q338 K339L331-V335 WeakPolarHBondContact O-CG2 3.45Å; L331-V335 PolarHBondContact O-N 3.3Å; V335-T337 PolarHBondContact O-N 2.91Å; V335-Q338 PolarHBondContact O-N 3.04Å; V335-K339 PolarHBondContact O-N 3.46Å
336S80.7Confident80.5Confident73 Ų73100.9 Ų100.951%0.5152%0.523SS..Hα-helixtrans-62.2-40.7173.8-640000112.8Q332 R333 K339 A340Q332-S336 PolarHBondContact O-N 3.27Å; Q332-S336 VanDerWaalsContact O-N 3.15Å; Q332-S336 PolarHBondContact O-OG 2.89Å; R333-S336 PolarHBondContact O-N 2.91Å; S336-K339 PolarHBondContact O-N 3.17Å; S336-A340 PolarHBondContact O-N 3.15Å
337T75.6Confident80.2Confident84 Ų84101.9 Ų101.952%0.51553%0.527SS..Hα-helixtrans-70.2-34.9175.748.50000113R333 S334 V335 K339 A340 L341R333-T337 PolarHBondContact O-N 2.72Å; R333-T337 PolarHBondContact O-OG1 3.44Å; S334-T337 WeakPolarHBondContact CA-OG1 3.05Å; S334-T337 PolarHBondContact O-N 3.37Å; S334-T337 PolarHBondContact O-OG1 2.83Å; V335-T337 PolarHBondContact O-N 2.91Å; T337-K339 VanDerWaalsContact C-N 3.32Å; T337-K339 PolarHBondContact O-N 2.78Å; T337-A340 PolarHBondContact O-N 2.92Å; T337-L341 WeakPolarHBondContact O-CG 3.45Å; T337-L341 PolarHBondContact O-N 3.45Å; T337-L341 VanDerWaalsContact O-N 3.14Å
338Q77.3Confident79.4Confident127 Ų12798.6 Ų98.659%0.59352%0.518SS*.Hα-helixtrans-62.1-42.4173.9-179178.7-7.500110.9S334 V335 L341 E342S334-Q338 WeakPolarHBondContact O-CB 3.49Å; S334-Q338 PolarHBondContact O-N 3.23Å; V335-Q338 PolarHBondContact O-N 3.04Å; Q338-L341 PolarHBondContact O-N 2.96Å; Q338-E342 PolarHBondContact O-N 3.36Å
339K79.6Confident78.9Confident131 Ų13197.3 Ų97.357%0.5752%0.519SS*.Hα-helixtrans-64.8-41.1178.8-165.9-178.6178.7-166.90112.8V335 S336 T337 L341 E342 E343V335-K339 PolarHBondContact O-N 3.46Å; S336-K339 PolarHBondContact O-N 3.17Å; T337-K339 VanDerWaalsContact C-N 3.32Å; T337-K339 PolarHBondContact O-N 2.78Å; K339-L341 PolarHBondContact O-N 2.84Å; K339-E342 PolarHBondContact O-N 2.78Å; K339-E343 WeakPolarHBondContact CE-OE1 3.4Å; K339-E343 WeakPolarHBondContact O-CG 3.34Å; K339-E343 PolarHBondContact O-N 3.18Å
340A77.9Confident78.5Confident48 Ų48102 Ų10240%0.39753%0.534SS..Hα-helixtrans-61.3-42.9174.600000112.1S336 T337 E342 E343 D344S336-A340 PolarHBondContact O-N 3.15Å; T337-A340 PolarHBondContact O-N 2.92Å; A340-E342 VanDerWaalsContact C-N 3.29Å; A340-E342 PolarHBondContact O-N 3Å; A340-E343 PolarHBondContact O-N 3.4Å; A340-D344 PolarHBondContact O-N 3.43Å
341L78.5Confident77.9Confident116 Ų116102.3 Ų102.361%0.60753%0.533SS*.Hα-helixtrans-63.7-32.1175.7-71.8168.4000113T337 Q338 K339 L345T337-L341 WeakPolarHBondContact O-CG 3.45Å; T337-L341 PolarHBondContact O-N 3.45Å; T337-L341 VanDerWaalsContact O-N 3.14Å; Q338-L341 PolarHBondContact O-N 2.96Å; K339-L341 PolarHBondContact O-N 2.84Å; L341-L345 WeakPolarHBondContact O-CB 3.42Å; L341-L345 PolarHBondContact O-N 3.11Å
342E80.3Confident77.3Confident119 Ų119102.2 Ų102.256%0.55653%0.533SS*.Hα-helixtrans-73.7-34.2176-168.1166-172.400112.2Q338 K339 A340 L345 Q346Q338-E342 PolarHBondContact O-N 3.36Å; K339-E342 PolarHBondContact O-N 2.78Å; A340-E342 VanDerWaalsContact C-N 3.29Å; A340-E342 PolarHBondContact O-N 3Å; E342-L345 PolarHBondContact O-N 3.21Å; E342-Q346 PolarHBondContact O-N 2.74Å; E342-Q346 VanDerWaalsContact O-N 3.11Å
343E79.6Confident76.4Confident104 Ų10499.8 Ų99.849%0.48653%0.529SS..Hα-helixtrans-65.8-44170.8-70.2170.1-165.400111.2K339 A340 L345 Q346 I347K339-E343 WeakPolarHBondContact CE-OE1 3.4Å; K339-E343 WeakPolarHBondContact O-CG 3.34Å; K339-E343 PolarHBondContact O-N 3.18Å; A340-E343 PolarHBondContact O-N 3.4Å; E343-L345 VanDerWaalsContact C-N 3.34Å; E343-L345 PolarHBondContact O-N 2.83Å; E343-Q346 PolarHBondContact O-N 3.42Å; E343-I347 WeakPolarHBondContact O-CG1 3.39Å; E343-I347 PolarHBondContact O-N 3.15Å; E343-I347 VanDerWaalsContact O-N 3.14Å
344D78.1Confident75.8Confident98 Ų9898.8 Ų98.852%0.52453%0.531SS..Hα-helixtrans-60.4-39.4172.6-77.5-30.9000112.7A340 I347 A348A340-D344 PolarHBondContact O-N 3.43Å; D344-I347 WeakPolarHBondContact O-CB 3.32Å; D344-I347 PolarHBondContact O-N 3Å; D344-A348 PolarHBondContact O-N 2.66Å
345L76.4Confident75.1Confident118 Ų118101.1 Ų101.162%0.61854%0.538SS*.Hα-helixtrans-68.5-36.5-179.9-152.2161.5000111.4L341 E342 E343 T349L341-L345 WeakPolarHBondContact O-CB 3.42Å; L341-L345 PolarHBondContact O-N 3.11Å; E342-L345 PolarHBondContact O-N 3.21Å; E343-L345 VanDerWaalsContact C-N 3.34Å; E343-L345 PolarHBondContact O-N 2.83Å; L345-T349 WeakPolarHBondContact O-CB 3.48Å; L345-T349 PolarHBondContact O-N 2.79Å; L345-T349 PolarHBondContact O-OG1 2.82Å
346Q76.9Confident74.5Confident143 Ų143101.5 Ų101.567%0.66854%0.541SS*.Hα-helixtrans-62.7-40.8169.5-74.8-165.54.700112.4E342 E343 K350E342-Q346 PolarHBondContact O-N 2.74Å; E342-Q346 VanDerWaalsContact O-N 3.11Å; E343-Q346 PolarHBondContact O-N 3.42Å; Q346-K350 PolarHBondContact O-N 3.03Å
347I76.9Confident73.7Confident109 Ų109105.1 Ų105.156%0.55955%0.55SS*.Hα-helixtrans-62.4-51.2177-66.8166.1000110.2E343 D344 T349 K350 T351E343-I347 WeakPolarHBondContact O-CG1 3.39Å; E343-I347 PolarHBondContact O-N 3.15Å; E343-I347 VanDerWaalsContact O-N 3.14Å; D344-I347 WeakPolarHBondContact O-CB 3.32Å; D344-I347 PolarHBondContact O-N 3Å; I347-T349 VanDerWaalsContact C-N 3.32Å; I347-T349 PolarHBondContact O-N 3.47Å; I347-K350 WeakPolarHBondContact O-CB 3.26Å; I347-K350 PolarHBondContact O-N 3.28Å; I347-T351 PolarHBondContact O-N 2.99Å; I347-T351 PolarHBondContact O-OG1 3.42Å
348A69.8Low73Confident51 Ų51106.9 Ų106.942%0.42155%0.552SS.*Hα-helixtrans-58.7-41.7179.600000112.8D344 K350 T351 I352D344-A348 PolarHBondContact O-N 2.66Å; A348-K350 PolarHBondContact O-N 3.47Å; A348-T351 PolarHBondContact O-N 3.1Å; A348-I352 WeakPolarHBondContact O-CG1 3.49Å; A348-I352 PolarHBondContact O-N 3.27Å
349T74.6Confident72.4Confident77 Ų77106.6 Ų106.647%0.47255%0.549SS..Hα-helixtrans-59.3-37.2176.4-56.80000111.7L345 I347L345-T349 WeakPolarHBondContact O-CB 3.48Å; L345-T349 PolarHBondContact O-N 2.79Å; L345-T349 PolarHBondContact O-OG1 2.82Å; I347-T349 VanDerWaalsContact C-N 3.32Å; I347-T349 PolarHBondContact O-N 3.47Å
350K75.2Confident71.5Confident160 Ų160107.7 Ų107.770%0.69656%0.556SS**Hα-helixtrans-69.1-37.5-179.4-145.7170.5-171.5173.90112.6Q346 I347 A348Q346-K350 PolarHBondContact O-N 3.03Å; I347-K350 WeakPolarHBondContact O-CB 3.26Å; I347-K350 PolarHBondContact O-N 3.28Å; A348-K350 PolarHBondContact O-N 3.47Å
351T67.9Low70.8Confident68 Ų68109.2 Ų109.242%0.41757%0.569SS.*Hα-helixtrans-69.2-34.4178.6-41.30000112.5I347 A348 C353 Q354 L355I347-T351 PolarHBondContact O-N 2.99Å; I347-T351 PolarHBondContact O-OG1 3.42Å; A348-T351 PolarHBondContact O-N 3.1Å; T351-C353 VanDerWaalsContact C-N 3.34Å; T351-C353 PolarHBondContact O-N 2.77Å; T351-Q354 PolarHBondContact O-N 2.76Å; T351-L355 PolarHBondContact O-N 3.32Å
352I70.6Confident69.9Low109 Ų109109 Ų10956%0.55957%0.565SS**Hα-helixtrans-64.4-37.8-179.8-69.8166.5000111.7A348 Q354 L355 T356A348-I352 WeakPolarHBondContact O-CG1 3.49Å; A348-I352 PolarHBondContact O-N 3.27Å; I352-Q354 VanDerWaalsContact C-N 3.35Å; I352-Q354 PolarHBondContact O-N 2.94Å; I352-L355 PolarHBondContact O-N 2.98Å; I352-T356 PolarHBondContact O-N 3.02Å; I352-T356 PolarHBondContact O-OG1 3.39Å
353C67.1Low68.9Low77 Ų77109.7 Ų109.752%0.5257%0.57SS.*Hα-helixtrans-59.9-44.5176.7-61.60000111.9T351 L355 T356T351-C353 VanDerWaalsContact C-N 3.34Å; T351-C353 PolarHBondContact O-N 2.77Å; C353-L355 PolarHBondContact O-N 3.25Å; C353-T356 WeakPolarHBondContact O-CB 3.24Å; C353-T356 PolarHBondContact O-N 2.62Å; C353-T356 VanDerWaalsContact O-N 3.17Å
354Q69Low68Low134 Ų134112.7 Ų112.763%0.62658%0.583SS**Hα-helixtrans-66.1-38.7-178-64.1179.9-36.800112.6T351 I352 T356T351-Q354 PolarHBondContact O-N 2.76Å; I352-Q354 VanDerWaalsContact C-N 3.35Å; I352-Q354 PolarHBondContact O-N 2.94Å; Q354-T356 PolarHBondContact O-N 2.89Å
355L64.9Low66.9Low101 Ų101111.6 Ų111.653%0.52959%0.588SS.*Hα-helixtrans-68.6-17.7175.8-81166.1000114T351 I352 C353 K359T351-L355 PolarHBondContact O-N 3.32Å; I352-L355 PolarHBondContact O-N 2.98Å; C353-L355 PolarHBondContact O-N 3.25Å; L355-K359 WeakPolarHBondContact O-CG 3.48Å
356T68.8Low66Low85 Ų85113.1 Ų113.152%0.52159%0.59SS.*Hα-helixtrans-78.5-46.7179-54.30000110.6I352 C353 Q354 E358 K359I352-T356 PolarHBondContact O-N 3.02Å; I352-T356 PolarHBondContact O-OG1 3.39Å; C353-T356 WeakPolarHBondContact O-CB 3.24Å; C353-T356 PolarHBondContact O-N 2.62Å; C353-T356 VanDerWaalsContact O-N 3.17Å; Q354-T356 PolarHBondContact O-N 2.89Å; T356-E358 VanDerWaalsContact C-N 3.33Å; T356-E358 PolarHBondContact O-N 3.43Å; T356-K359 PolarHBondContact O-N 2.93Å
357E62.2Low65.1Low148 Ų148110.1 Ų110.169%0.69258%0.578SS**Hα-helixtrans-60.6-39.2178.7-62.8176.8163.600112.3K359E357-K359 VanDerWaalsContact C-N 3.3Å; E357-K359 PolarHBondContact O-N 2.92Å
358E61.1Low64.2Low121 Ų121114.1 Ų114.157%0.56559%0.592SS**Hα-helixtrans-67.9-26.7179.5-169.8177.1-147.700113.3T356T356-E358 VanDerWaalsContact C-N 3.33Å; T356-E358 PolarHBondContact O-N 3.43Å
359K65.1Low63.5Low122 Ų122114.9 Ų114.953%0.5360%0.598SS.*Hα-helixtrans-81.2-31.5-177.8-79.7-71.7145.6-1620113.7L355 T356 E357 Q362L355-K359 WeakPolarHBondContact O-CG 3.48Å; T356-K359 PolarHBondContact O-N 2.93Å; E357-K359 VanDerWaalsContact C-N 3.3Å; E357-K359 PolarHBondContact O-N 2.92Å; K359-Q362 PolarHBondContact O-N 3.37Å
360E61.8Low62.5Low154 Ų154119.4 Ų119.472%0.7261%0.607SS**Hα-helixtrans-68.3-41.1-177.9-152.5150-137.800110.9Q362 M363E360-Q362 PolarHBondContact O-N 3.17Å; E360-M363 PolarHBondContact O-N 2.97Å; E360-M363 VanDerWaalsContact O-N 3.13Å
361A61.6Low61.4Low79 Ų79115.7 Ų115.765%0.65361%0.606SS**Hα-helixtrans-61.2-24.9176.500000114.7
362Q61.3Low60.8Low112 Ų112118 Ų11852%0.52362%0.62SS.*Hα-helixtrans-78.1-21.2178.2-69.5-172.5-1900113.3K359 E360K359-Q362 PolarHBondContact O-N 3.37Å; E360-Q362 PolarHBondContact O-N 3.17Å
363M58.7Low59.6Low134 Ų134119.5 Ų119.566%0.6662%0.624SS**Hα-helixtrans-82.9-29.4-172.1-163.7164-67.600113.6E360 A365 N367E360-M363 PolarHBondContact O-N 2.97Å; E360-M363 VanDerWaalsContact O-N 3.13Å; M363-A365 PolarHBondContact O-N 3.45Å; M363-N367 PolarHBondContact O-ND2 3.03Å
364E60.3Low58.6Low166 Ų166121.1 Ų121.178%0.77664%0.636SS**Hα-helixtrans-61.9-41.8177-157.972.6-128.200111.7
365A55.8Low57.6Low75 Ų75122.7 Ų122.762%0.6264%0.642SS**Hα-helixtrans-68.7-35.8-176.900000113.4M363 N367M363-A365 PolarHBondContact O-N 3.45Å; A365-N367 PolarHBondContact O-N 2.97Å
366F57.1Low57Low150 Ų150123 Ų12366%0.65865%0.647SS**Hα-helixtrans-67.6-34.5-173.1-170.7-107.5000113.1K368 A369F366-K368 VanDerWaalsContact C-N 3.26Å; F366-K368 PolarHBondContact O-N 2.72Å; F366-A369 PolarHBondContact O-N 3.06Å
367N58.1Low56.4Low80 Ų80124.2 Ų124.243%0.42865%0.654SS.*Hα-helixtrans-68.1-21.8-175.5-79.3-70.4000113.9M363 A365 R370M363-N367 PolarHBondContact O-ND2 3.03Å; A365-N367 PolarHBondContact O-N 2.97Å; N367-R370 PolarHBondContact OD1-NH2 3.23Å
368K57.9Low55.8Low193 Ų193120.8 Ų120.884%0.83964%0.644SS**Hα-helixtrans-80.6-25.1-177.8-128.2169.1-173.3169.20113.9F366F366-K368 VanDerWaalsContact C-N 3.26Å; F366-K368 PolarHBondContact O-N 2.72Å
369A53.8Low54.7Low68 Ų68123.3 Ų123.356%0.56266%0.655SS**Hα-helixtrans-81.4-16.9179.900000113.8F366 A371F366-A369 PolarHBondContact O-N 3.06Å; A369-A371 VanDerWaalsContact C-N 3.26Å; A369-A371 PolarHBondContact O-N 2.95Å
370R53.7Low53.7Low172 Ų172122.7 Ų122.765%0.64965%0.653SS**THydrogen-bonded Turntrans-71.5-12.2-172.8-169168.161.3-155.6-11.3114.6N367N367-R370 PolarHBondContact OD1-NH2 3.23Å
371A52.4Low53.3Low82 Ų82124.2 Ų124.268%0.67866%0.66SS**THydrogen-bonded Turntrans-82.6-23.6-171.200000115.4A369A369-A371 VanDerWaalsContact C-N 3.26Å; A369-A371 PolarHBondContact O-N 2.95Å
372T54.6Low52.4Low116 Ų116126.1 Ų126.171%0.71266%0.664SS**SBendtrans-92-17.6-169.647.60000114.9S374T372-S374 VanDerWaalsContact C-N 3.29Å; T372-S374 PolarHBondContact O-N 3.34Å
373H46.3Very low51.4Low141 Ų141126.3 Ų126.365%0.65367%0.673SS**THydrogen-bonded Turntrans-80.5-1.7-176.4-99.4-90.5000115.2F375H373-F375 PolarHBondContact O-N 2.91Å; H373-F375 VanDerWaalsContact O-N 3.13Å
374S45.4Very low50.6Low110 Ų110125.6 Ų125.677%0.76967%0.67SS**THydrogen-bonded Turntrans-76.67.7-172.9-165.70000115.7T372T372-S374 VanDerWaalsContact C-N 3.29Å; T372-S374 PolarHBondContact O-N 3.34Å
375F49.2Very low50Low168 Ų168124.2 Ų124.274%0.73768%0.677SS**THydrogen-bonded Turntrans-124.5-26.6-173.1-166.9-103000114.8H373 T378H373-F375 PolarHBondContact O-N 2.91Å; H373-F375 VanDerWaalsContact O-N 3.13Å; F375-T378 PolarHBondContact O-OG1 2.86Å; F375-T378 VanDerWaalsContact O-OG1 3.11Å
376V51.9Low49Very low107 Ų107124.4 Ų124.465%0.64867%0.674SS**G310 helixtrans-86-22.4-175-177.60000112.6T378 E379V376-T378 PolarHBondContact O-N 3.4Å; V376-T378 VanDerWaalsContact O-N 3.15Å; V376-E379 PolarHBondContact O-N 3.26Å
377V56.1Low48Very low111 Ų111123.5 Ų123.567%0.67368%0.676SS**G310 helixtrans-64.7-18.2177.7-178.10000112
378T48.8Very low47.1Very low76 Ų76129.1 Ų129.147%0.46670%0.696SS.*G310 helixtrans-10216.3-17853.90000114.8F375 V376 F380F375-T378 PolarHBondContact O-OG1 2.86Å; F375-T378 VanDerWaalsContact O-OG1 3.11Å; V376-T378 PolarHBondContact O-N 3.4Å; V376-T378 VanDerWaalsContact O-N 3.15Å; T378-F380 HydrophobicContact CG2-CD2 4.4Å; T378-F380 HydrophobicContact CG2-CE1 4.41Å; T378-F380 HydrophobicContact CG2-CE2 3.68Å; T378-F380 HydrophobicContact CG2-CZ 3.7Å; T378-F380 WeakPolarHBondContact O-CD2 3.22Å
379E39.3Very low46Very low173 Ų173128.7 Ų128.781%0.80870%0.697SS**SBendtrans-95.427.3152.7-70.5-162.4126.200111.9V376V376-E379 PolarHBondContact O-N 3.26Å
380F44.1Very low45Very low110 Ų110131.5 Ų131.548%0.48270%0.702SS.*  33.499.7129.5-76.8-45.6000117.5T378 T382T378-F380 HydrophobicContact CG2-CD2 4.4Å; T378-F380 HydrophobicContact CG2-CE1 4.41Å; T378-F380 HydrophobicContact CG2-CE2 3.68Å; T378-F380 HydrophobicContact CG2-CZ 3.7Å; T378-F380 WeakPolarHBondContact O-CD2 3.22Å; F380-T382 WeakPolarHBondContact O-CB 3.23Å; F380-T382 PolarHBondContact O-N 2.81Å; F380-T382 PolarHBondContact O-OG1 2.94Å
381E53.2Low44.2Very low185 Ų185129.2 Ų129.286%0.86470%0.702SS**SBend56.212.3113.5-62.2-179136.900118.4
382T41.6Very low43.6Very low119 Ų119136.5 Ų136.573%0.7371%0.712SS**  trans-127.9-17-175.255.90000112.6F380 I384F380-T382 WeakPolarHBondContact O-CB 3.23Å; F380-T382 PolarHBondContact O-N 2.81Å; F380-T382 PolarHBondContact O-OG1 2.94Å; T382-I384 PolarHBondContact O-N 2.96Å
383T40.5Very low42.6Very low116 Ų116134.9 Ų134.971%0.71270%0.702SS**SBendtrans-78.165177.639.40000112.8
384I42.5Very low42.3Very low120 Ų120135.4 Ų135.462%0.61571%0.705SS**  trans66.7112153.5-60.8104.9000119.1T382 S386T382-I384 PolarHBondContact O-N 2.96Å; I384-S386 WeakPolarHBondContact CB-OG 3.27Å; I384-S386 WeakPolarHBondContact CG2-OG 3.49Å; I384-S386 PolarHBondContact O-N 3.39Å
385C47.2Very low41.7Very low136 Ų136138.5 Ų138.592%0.91971%0.707SS**THydrogen-bonded Turntrans-69.533.8159.5-62.60000113.1
386S34.5Very low40.6Very low79 Ų79136.2 Ų136.255%0.55270%0.699SS**THydrogen-bonded Turntrans-94.7-23.5-173.363.70000114.3I384 K388I384-S386 WeakPolarHBondContact CB-OG 3.27Å; I384-S386 WeakPolarHBondContact CG2-OG 3.49Å; I384-S386 PolarHBondContact O-N 3.39Å; S386-K388 PolarHBondContact O-N 3.31Å
387L37.2Very low39.9Very low132 Ų132142.4 Ų142.469%0.69171%0.71SS**  trans-82.631.7179.9-65.6177.1000113.4E389 L390L387-E389 VanDerWaalsContact C-N 3.29Å; L387-E389 PolarHBondContact O-N 2.97Å; L387-L390 HydrophobicContact CD2-CD1 4.04Å
388K39.9Very low39.2Very low197 Ų197143.8 Ų143.886%0.85771%0.713SS**SBendtrans-86.94.9179.5-152.4174-178.4177.90113.5S386S386-K388 PolarHBondContact O-N 3.31Å
389E32.9Very low38.4Very low185 Ų185144.8 Ų144.886%0.86471%0.712SS**SBendtrans-135.410.8-173.4-140.4162-152.500114.1L387L387-E389 VanDerWaalsContact C-N 3.29Å; L387-E389 PolarHBondContact O-N 2.97Å
390L34.2Very low38.2Very low126 Ų126144 Ų14466%0.6671%0.706SS**  trans-119.2134.6169.7-75.1171.9000109.8L387L387-L390 HydrophobicContact CD2-CD1 4.04Å
391L37.4Very low38.1Very low124 Ų124144.1 Ų144.165%0.64972%0.721SS**  cis-149.9139.5-11.6-178.659.9000111.1T393L391-T393 HydrophobicContact CD1-CG2 4.11Å; L391-T393 HydrophobicContact CD2-CG2 4.41Å; L391-T393 VanDerWaalsContact CD2-OG1 3.29Å; L391-T393 WeakPolarHBondContact CD2-OG1 3.49Å; L391-T393 HydrophobicContact CG-CG2 3.98Å; L391-T393 WeakPolarHBondContact CG-OG1 3.49Å; L391-T393 PolarHBondContact O-N 2.97Å
392R37.8Very low37.2Very low236 Ų236143.5 Ų143.589%0.89172%0.718SS**SBendtrans-79.729.9-169.5-154.1-176.5-156.5148.61.8114.2
393T35.4Very low36.7Very low82 Ų82143.9 Ų143.950%0.50372%0.716SS.*  trans-142.531.8-159.8710000116.4L391L391-T393 HydrophobicContact CD1-CG2 4.11Å; L391-T393 HydrophobicContact CD2-CG2 4.41Å; L391-T393 VanDerWaalsContact CD2-OG1 3.29Å; L391-T393 WeakPolarHBondContact CD2-OG1 3.49Å; L391-T393 HydrophobicContact CG-CG2 3.98Å; L391-T393 WeakPolarHBondContact CG-OG1 3.49Å; L391-T393 PolarHBondContact O-N 2.97Å
394E39.3Very low36.6Very low152 Ų152144.6 Ų144.671%0.7171%0.711SS**  trans-147.193.4171-101.4-60.3166.700110.5Q396E394-Q396 PolarHBondContact OE2-N 2.99Å
395Q32.8Very low36.8Very low175 Ų175146.8 Ų146.882%0.81872%0.723SS**  cis78.211.9-6.4-148.31621.700120.6
396Q26.7Very low36.2Very low119 Ų119148.2 Ų148.256%0.55671%0.714SS**  trans-153.395.6150.9-132174.2900116.3E394 E399E394-Q396 PolarHBondContact OE2-N 2.99Å; Q396-E399 VanDerWaalsContact CG-OE1 3.28Å; Q396-E399 WeakPolarHBondContact CG-OE1 3.29Å; Q396-E399 PolarHBondContact NE2-OE1 3.34Å
397R37.3Very low36.2Very low238 Ų238152.4 Ų152.490%0.89873%0.728SS**SBendtrans167.9131.1149.4-97.3158.262.3172.60.2110.6
398L40.4Very low35.9Very low139 Ų139151.8 Ų151.873%0.72873%0.725SS**  cis-152.7125.3-12.8-173.470.8000106.1
399E32Very low35.8Very low97 Ų97148.4 Ų148.445%0.45372%0.721SS.*  cis79.835.117.6-151.5-123.1-63.300115.9Q396Q396-E399 VanDerWaalsContact CG-OE1 3.28Å; Q396-E399 WeakPolarHBondContact CG-OE1 3.29Å; Q396-E399 PolarHBondContact NE2-OE1 3.34Å
400K35.3Very low36.4Very low157 Ų157145.4 Ų145.468%0.68371%0.708SS**  trans175.4162.9146.7-96.2143.4-165144.10115.8
401S41.5Very low36.5Very low112 Ų112148.5 Ų148.578%0.78372%0.72SS**  trans62.7115.2177.961.90000116.6
402E34.5Very low36.8Very low172 Ų172150.9 Ų150.980%0.80473%0.732SS**  cis66.3143.2-1.3-159.5163.1-140.300117.4
403D31.1Very low36.4Very low128 Ų128147 Ų14768%0.68472%0.724SS**  trans61.9144.7178-66.4-33.5000118.6
404Q38.9Very low36.4Very low130 Ų130152.1 Ų152.161%0.60774%0.739SS**  cis-156.1132.2-14.2-111.7158.848.100105.8
405L46.8Very low36.3Very low167 Ų167150.9 Ų150.987%0.87473%0.731SS**  57.144.358.1-155.7121.3000115
406K34.7Very low36.7Very low165 Ų165148 Ų14872%0.71773%0.731SS**  trans-157.9-1.2164-120.4156.1-169.6168.40120.8
407I33.5Very low36.8Very low168 Ų168145.2 Ų145.286%0.86272%0.724SS**SBendtrans-133.7115.4179.7-55.4-179000109.1
408L31.8Very low36.9Very low118 Ų118141.6 Ų141.662%0.61872%0.718SS**  cis-143.3110.8-5.7-164.168.6000113.5M410L408-M410 HydrophobicContact CD1-CG 4.13Å; L408-M410 HydrophobicContact CD1-SD 3.94Å; L408-M410 HydrophobicContact CD2-CB 3.91Å; L408-M410 HydrophobicContact CD2-CG 4.07Å; L408-M410 HydrophobicContact CD2-SD 3.8Å; L408-M410 HydrophobicContact CG-CB 3.85Å; L408-M410 HydrophobicContact CG-CG 3.78Å; L408-M410 HydrophobicContact CG-SD 3.96Å; L408-M410 PolarHBondContact O-N 3.47Å
409T37.8Very low36.8Very low127 Ų127141.3 Ų141.378%0.77972%0.716SS**THydrogen-bonded Turntrans-69.859170.9-43.50000111.9
410M45.3Very low36.9Very low121 Ų121144.5 Ų144.560%0.59673%0.731SS**THydrogen-bonded Turntrans-133.2-5.6-176.8-73.7-173.26600117.3L408L408-M410 HydrophobicContact CD1-CG 4.13Å; L408-M410 HydrophobicContact CD1-SD 3.94Å; L408-M410 HydrophobicContact CD2-CB 3.91Å; L408-M410 HydrophobicContact CD2-CG 4.07Å; L408-M410 HydrophobicContact CD2-SD 3.8Å; L408-M410 HydrophobicContact CG-CB 3.85Å; L408-M410 HydrophobicContact CG-CG 3.78Å; L408-M410 HydrophobicContact CG-SD 3.96Å; L408-M410 PolarHBondContact O-N 3.47Å
411E36.1Very low37.1Very low192 Ų192145.4 Ų145.490%0.89774%0.738SS**G310 helixtrans-90.3-7.4170.5-78.9-161.813900114.8Q413E411-Q413 PolarHBondContact O-N 2.83Å
412L43.3Very low36.6Very low173 Ų173146.2 Ų146.291%0.90673%0.731SS**G310 helixtrans-71.112.5165-15791.7000113
413Q29.7Very low36.6Very low155 Ų155143.1 Ų143.172%0.72472%0.724SS**G310 helixtrans-144.830.3-168.4-148173.31.700115.2E411E411-Q413 PolarHBondContact O-N 2.83Å
414K35.3Very low37Very low189 Ų189145.2 Ų145.282%0.82273%0.727SS**SBendtrans-139.122.6176.6-143.9-154.7172.4-176.90118.7
415K38.2Very low36.7Very low126 Ų126146.2 Ų146.255%0.54874%0.735SS.*  trans-159.938.5155.6-113.2-69.4168.1175.10114.9S417 E418K415-S417 PolarHBondContact NZ-O 3.02Å; K415-S417 PolarHBondContact O-N 3.46Å; K415-E418 IonicContact NZ-OE1 2.66Å; K415-E418 PolarHBondContact NZ-OE1 2.91Å; K415-E418 IonicContact NZ-OE2 2.95Å; K415-E418 PolarHBondContact NZ-OE2 3.47Å
416S39.9Very low35.9Very low116 Ų116143.2 Ų143.281%0.81172%0.724SS**  trans-74.549.7164.860.40000111.4
417S30.3Very low36.5Very low59 Ų59142.2 Ų142.241%0.41373%0.727SS.*  trans-160.462.7-163.446.20000112.8K415K415-S417 PolarHBondContact NZ-O 3.02Å; K415-S417 PolarHBondContact O-N 3.46Å
418E38.1Very low36.8Very low163 Ų163140.7 Ų140.776%0.76272%0.72SS**  trans173.369.2163.7-99.7141.7-137.800104.1K415K415-E418 IonicContact NZ-OE1 2.66Å; K415-E418 PolarHBondContact NZ-OE1 2.91Å; K415-E418 IonicContact NZ-OE2 2.95Å; K415-E418 PolarHBondContact NZ-OE2 3.47Å
419L38.2Very low37.7Very low133 Ų133143.8 Ų143.870%0.69673%0.729SS**  cis68.5126.737.6-175.472.8000112.5
420E34Very low38.2Very low163 Ų163146.5 Ų146.576%0.76273%0.733SS**  trans59.4123.6172.2-70.3159.3140.800115
421E39.2Very low38.6Very low177 Ų177145.8 Ų145.883%0.82774%0.735SS**  cis-139.6170.430.7-71.3-170.215600111.7
422M32.3Very low39.5Very low129 Ų129143.2 Ų143.264%0.63572%0.723SS**  cis-157.5130.3-21-100.5-108.8-76.400104.7
423T34.7Very low40Very low107 Ų107141.4 Ų141.466%0.65671%0.713SS**  72127.956.9-41.60000113.8
424K39.4Very low41.3Very low172 Ų172139.9 Ų139.975%0.74871%0.706SS**  trans88137.2169.9-50.5-170.1-175.9169.20117.3
425L31.5Very low42.3Very low150 Ų150138.4 Ų138.479%0.78570%0.702SS**  cis-156.8163-16.9-145.771.6000112.9
426T31.4Very low43.2Very low104 Ų104138.4 Ų138.464%0.63871%0.708SS**  trans-31.1157.5169.656.10000121.8
427N47.4Very low44Very low145 Ų145139.2 Ų139.278%0.77570%0.696SS**  trans22.3110.5137.8-58.3-0.1000118.9
428N38.8Very low45.3Very low135 Ų135144.7 Ų144.772%0.72271%0.713SS**  trans-169.7101.8136.4-101.4-18.2000109.6
429K50Low46.4Very low183 Ų183141.2 Ų141.280%0.79670%0.703SS**  trans-142.5-1.7171-75.1-157.2171.3-167.10115.3
430E48.3Very low47.2Very low185 Ų185141 Ų14186%0.86470%0.701SS**SBendtrans-85.6-13.9178.8-147.285-141.400112.9
431V54Low48.5Very low106 Ų106135.6 Ų135.664%0.64269%0.69SS**SBendtrans-103.6-27.2-168.2-176.90000113.4L433V431-L433 PolarHBondContact O-N 3.43Å
432E55.5Low49.6Very low137 Ų137134 Ų13464%0.6468%0.683SS**Hα-helixtrans-69.3-13.7-175-61.8-175.7141.400114.2
433L54.3Low50.9Low136 Ų136135 Ų13571%0.71268%0.683SS**Hα-helixtrans-79.4-25.1-169.6-107.5169000115.2V431V431-L433 PolarHBondContact O-N 3.43Å
434E56.8Low52.3Low123 Ų123137.4 Ų137.458%0.57569%0.687SS**Hα-helixtrans-92.5-23.5-174.4-164.467.2-173.200113.1K437E434-K437 VanDerWaalsContact CD-CD 3.45Å; E434-K437 WeakPolarHBondContact O-CB 3.21Å; E434-K437 PolarHBondContact O-N 3.02Å; E434-K437 WeakPolarHBondContact OE1-CD 3.46Å; E434-K437 WeakPolarHBondContact OE1-CE 3.48Å; E434-K437 IonicContact OE1-NZ 2.62Å; E434-K437 PolarHBondContact OE1-NZ 3.37Å; E434-K437 WeakPolarHBondContact OE2-CD 3.2Å; E434-K437 IonicContact OE2-NZ 2.62Å; E434-K437 PolarHBondContact OE2-NZ 3.34Å
435E55.8Low53.4Low158 Ų158137.1 Ų137.174%0.73869%0.686SS**Hα-helixtrans-69.7-34.4174.5-72.7-162.7115.400112.7K437 K438E435-K437 PolarHBondContact O-N 2.59Å; E435-K437 VanDerWaalsContact O-N 3.09Å; E435-K438 WeakPolarHBondContact O-CB 3.36Å; E435-K438 PolarHBondContact O-N 2.86Å
436L56.9Low54.9Low126 Ų126135.2 Ų135.266%0.6668%0.676SS**THydrogen-bonded Turntrans-57.1-25.3175.3-106.9164.5000113.4K438L436-K438 VanDerWaalsContact C-N 3.35Å
437K57.3Low56.6Low133 Ų133136.2 Ų136.258%0.57868%0.676SS**THydrogen-bonded Turntrans-70.7-29.3179.8-148.6176.8-162.7165.60112.7E434 E435E434-K437 VanDerWaalsContact CD-CD 3.45Å; E434-K437 WeakPolarHBondContact O-CB 3.21Å; E434-K437 PolarHBondContact O-N 3.02Å; E434-K437 WeakPolarHBondContact OE1-CD 3.46Å; E434-K437 WeakPolarHBondContact OE1-CE 3.48Å; E434-K437 IonicContact OE1-NZ 2.62Å; E434-K437 PolarHBondContact OE1-NZ 3.37Å; E434-K437 WeakPolarHBondContact OE2-CD 3.2Å; E434-K437 IonicContact OE2-NZ 2.62Å; E434-K437 PolarHBondContact OE2-NZ 3.34Å; E435-K437 PolarHBondContact O-N 2.59Å; E435-K437 VanDerWaalsContact O-N 3.09Å
438K58.2Low57.8Low173 Ų173137 Ų13775%0.75267%0.67SS**G310 helixtrans-71.9-34.3-178.8-167.2179.2178.6-173.80112.2E435 L436 L440 G441E435-K438 WeakPolarHBondContact O-CB 3.36Å; E435-K438 PolarHBondContact O-N 2.86Å; L436-K438 VanDerWaalsContact C-N 3.35Å; K438-L440 PolarHBondContact O-N 3.09Å; K438-G441 PolarHBondContact O-N 3.22Å
439V59.7Low59.4Low91 Ų91135.6 Ų135.655%0.55266%0.659SS**G310 helixtrans-64.7-23.1-179.8-176.50000112.5G441V439-G441 PolarHBondContact O-N 2.95Å
440L56.4Low60.4Low127 Ų127131.8 Ų131.867%0.66565%0.647SS**G310 helixtrans-69.3-31.4-176.6-160.369.1000113.1K438 E442K438-L440 PolarHBondContact O-N 3.09Å; L440-E442 PolarHBondContact O-N 3.45Å
441G60.9Low61.8Low51 Ų51129.8 Ų129.853%0.52664%0.636SS.*G310 helixtrans-74.1-19.8-176.400000115.1K438 V439 K443K438-G441 PolarHBondContact O-N 3.22Å; V439-G441 PolarHBondContact O-N 2.95Å; G441-K443 VanDerWaalsContact C-N 3.33Å
442E61.1Low62.7Low144 Ų144129.2 Ų129.267%0.67363%0.626SS**G310 helixtrans-78.7-20.3-179.6-64.3-177.9157.800112.3L440 E444L440-E442 PolarHBondContact O-N 3.45Å; E442-E444 VanDerWaalsContact C-N 3.32Å; E442-E444 PolarHBondContact O-N 3.5Å
443K59.9Low63.7Low150 Ų150129.2 Ų129.265%0.65262%0.624SS**Hα-helixtrans-66-27179.3-94.7-178.1173.1177.30114.6G441G441-K443 VanDerWaalsContact C-N 3.33Å
444E64Low64.9Low157 Ų157128.4 Ų128.473%0.73462%0.617SS**Hα-helixtrans-72.9-27.6-176.4-64.6-169.8134.600112.9E442E442-E444 VanDerWaalsContact C-N 3.32Å; E442-E444 PolarHBondContact O-N 3.5Å
445K62.6Low65.9Low165 Ų165128 Ų12872%0.71761%0.613SS**Hα-helixtrans-67.8-46174.4-85.9-171.2172-175.90112.7L447 Y448 E449K445-L447 PolarHBondContact O-N 3.38Å; K445-L447 VanDerWaalsContact O-N 3.16Å; K445-Y448 PolarHBondContact O-N 3.27Å; K445-E449 PolarHBondContact O-N 3.08Å
446L64.1Low67.1Low110 Ų110124.7 Ų124.758%0.57660%0.6SS**Hα-helixtrans-57.4-31.4179.1-69.1169.2000112Y448 E449 N450L446-Y448 VanDerWaalsContact C-N 3.32Å; L446-Y448 PolarHBondContact O-N 3.19Å; L446-E449 PolarHBondContact O-N 2.92Å; L446-N450 WeakPolarHBondContact O-CB 3.32Å; L446-N450 PolarHBondContact O-N 3.23Å
447L66.8Low68.1Low125 Ų125121.4 Ų121.465%0.65459%0.591SS**Hα-helixtrans-66.5-29.9178.7-129.7169.1000113K445K445-L447 PolarHBondContact O-N 3.38Å; K445-L447 VanDerWaalsContact O-N 3.16Å
448Y72.4Confident69.3Low161 Ų161121.5 Ų121.563%0.63159%0.593SS**Hα-helixtrans-78.1-40.2175.4-175.4-97.5000112.3K445 L446 K451K445-Y448 PolarHBondContact O-N 3.27Å; L446-Y448 VanDerWaalsContact C-N 3.32Å; L446-Y448 PolarHBondContact O-N 3.19Å; Y448-K451 PolarHBondContact O-N 2.93Å
449E72.1Confident70.4Confident106 Ų106118.9 Ų118.950%0.49558%0.583SS.*Hα-helixtrans-66.8-42.9178.3-68174.3172.300111.3K445 L446 K451 Q452 F453K445-E449 PolarHBondContact O-N 3.08Å; L446-E449 PolarHBondContact O-N 2.92Å; E449-K451 PolarHBondContact O-N 3.4Å; E449-K451 VanDerWaalsContact O-N 3.17Å; E449-Q452 PolarHBondContact O-N 3.19Å; E449-F453 VanDerWaalsContact O-CD2 3.26Å; E449-F453 WeakPolarHBondContact O-CD2 2.95Å; E449-F453 PolarHBondContact O-N 2.88Å
450N72.3Confident71.3Confident103 Ų103120 Ų12055%0.55159%0.586SS**Hα-helixtrans-55.6-35.1176.3-161.161.7000112.5L446 Q452 F453 E454L446-N450 WeakPolarHBondContact O-CB 3.32Å; L446-N450 PolarHBondContact O-N 3.23Å; N450-Q452 VanDerWaalsContact C-N 3.31Å; N450-Q452 PolarHBondContact O-N 3.48Å; N450-F453 PolarHBondContact O-N 3.47Å; N450-E454 PolarHBondContact O-N 2.99Å
451K76.8Confident72.6Confident144 Ų144119.9 Ų119.963%0.62658%0.58SS**Hα-helixtrans-73.1-18.6178.6-164167.5-174171.40114.1Y448 E449Y448-K451 PolarHBondContact O-N 2.93Å; E449-K451 PolarHBondContact O-N 3.4Å; E449-K451 VanDerWaalsContact O-N 3.17Å
452Q73.4Confident73.6Confident93 Ų93119.5 Ų119.544%0.43558%0.576SS.*Hα-helixtrans-83-38.8170.2-58.7-62.9-24.500111E449 N450 E454 K455 I456E449-Q452 PolarHBondContact O-N 3.19Å; N450-Q452 VanDerWaalsContact C-N 3.31Å; N450-Q452 PolarHBondContact O-N 3.48Å; Q452-E454 VanDerWaalsContact C-N 3.33Å; Q452-E454 PolarHBondContact O-N 2.87Å; Q452-K455 PolarHBondContact O-N 3.29Å; Q452-I456 WeakPolarHBondContact O-CG1 3.46Å; Q452-I456 PolarHBondContact O-N 3.06Å; Q452-I456 VanDerWaalsContact O-N 3.13Å
453F75.9Confident74.6Confident138 Ų138118.4 Ų118.461%0.60557%0.569SS**Hα-helixtrans-61.9-39.6173.6-71.8-66.5000112.5E449 N450 K455 I456 A457E449-F453 VanDerWaalsContact O-CD2 3.26Å; E449-F453 WeakPolarHBondContact O-CD2 2.95Å; E449-F453 PolarHBondContact O-N 2.88Å; N450-F453 PolarHBondContact O-N 3.47Å; F453-K455 VanDerWaalsContact C-N 3.34Å; F453-K455 PolarHBondContact O-N 2.93Å; F453-I456 PolarHBondContact O-N 3.3Å; F453-A457 PolarHBondContact O-N 3.45Å
454E78.8Confident75.6Confident118 Ų118116.8 Ų116.855%0.55156%0.564SS**Hα-helixtrans-57.5-45.1175.9-167.9162.7-133.300111.7N450 Q452 A457 E458N450-E454 PolarHBondContact O-N 2.99Å; Q452-E454 VanDerWaalsContact C-N 3.33Å; Q452-E454 PolarHBondContact O-N 2.87Å; E454-A457 WeakPolarHBondContact O-CB 3.47Å; E454-A457 PolarHBondContact O-N 2.61Å; E454-E458 PolarHBondContact O-N 2.93Å; E454-E458 VanDerWaalsContact O-N 3.07Å
455K79.6Confident76.5Confident114 Ų114114.7 Ų114.750%0.49655%0.554SS.*Hα-helixtrans-66.3-38.7176.4-165.2-171.5175.5-149.30113.1Q452 F453 A457 E458 E459Q452-K455 PolarHBondContact O-N 3.29Å; F453-K455 VanDerWaalsContact C-N 3.34Å; F453-K455 PolarHBondContact O-N 2.93Å; K455-A457 VanDerWaalsContact C-N 3.29Å; K455-A457 PolarHBondContact O-N 2.69Å; K455-E458 PolarHBondContact O-N 2.93Å; K455-E459 WeakPolarHBondContact CE-OE1 3.34Å; K455-E459 IonicContact NZ-OE1 2.68Å; K455-E459 PolarHBondContact NZ-OE1 2.98Å; K455-E459 PolarHBondContact O-N 3.24Å; K455-E459 VanDerWaalsContact O-N 3.07Å
456I79.9Confident77.5Confident90 Ų90112 Ų11246%0.46254%0.544SS..Hα-helixtrans-65.4-35.7175.1-67167.7000110.6Q452 F453 E459 L460Q452-I456 WeakPolarHBondContact O-CG1 3.46Å; Q452-I456 PolarHBondContact O-N 3.06Å; Q452-I456 VanDerWaalsContact O-N 3.13Å; F453-I456 PolarHBondContact O-N 3.3Å; I456-E459 PolarHBondContact O-N 3.29Å; I456-L460 HydrophobicContact CG2-CD1 4.06Å; I456-L460 HydrophobicContact CG2-CG 4.49Å; I456-L460 WeakPolarHBondContact O-CB 3.45Å; I456-L460 WeakPolarHBondContact O-CG 3.48Å; I456-L460 PolarHBondContact O-N 2.76Å
457A78.7Confident78.4Confident57 Ų57112.2 Ų112.247%0.47155%0.545SS..Hα-helixtrans-66.2-36.4174.400000112.4F453 E454 K455 K461F453-A457 PolarHBondContact O-N 3.45Å; E454-A457 WeakPolarHBondContact O-CB 3.47Å; E454-A457 PolarHBondContact O-N 2.61Å; K455-A457 VanDerWaalsContact C-N 3.29Å; K455-A457 PolarHBondContact O-N 2.69Å; A457-K461 VanDerWaalsContact O-CB 3.28Å; A457-K461 WeakPolarHBondContact O-CB 3.46Å; A457-K461 PolarHBondContact O-N 2.84Å
458E82.6Confident79.5Confident135 Ų135109.5 Ų109.563%0.63153%0.531SS*.Hα-helixtrans-66.4-42.2173.3-68.4-178.6136.100112.4E454 K455 K461 G462E454-E458 PolarHBondContact O-N 2.93Å; E454-E458 VanDerWaalsContact O-N 3.07Å; K455-E458 PolarHBondContact O-N 2.93Å; E458-K461 PolarHBondContact O-N 3.43Å; E458-G462 PolarHBondContact O-N 3Å
459E81.4Confident80.1Confident117 Ų117103.8 Ų103.855%0.54752%0.52SS..Hα-helixtrans-66.1-38.8175.3-70.9178.2-162.700111.9K455 I456 G462 K463K455-E459 WeakPolarHBondContact CE-OE1 3.34Å; K455-E459 IonicContact NZ-OE1 2.68Å; K455-E459 PolarHBondContact NZ-OE1 2.98Å; K455-E459 PolarHBondContact O-N 3.24Å; K455-E459 VanDerWaalsContact O-N 3.07Å; I456-E459 PolarHBondContact O-N 3.29Å; E459-G462 PolarHBondContact O-N 3.39Å; E459-K463 PolarHBondContact O-N 3.18Å; E459-K463 VanDerWaalsContact O-N 3.09Å
460L78.5Confident80.8Confident116 Ų116104.1 Ų104.161%0.60753%0.525SS*.Hα-helixtrans-64.4-41.4172.5-78.6169.1000112.5I456 G462 K463 E464I456-L460 HydrophobicContact CG2-CD1 4.06Å; I456-L460 HydrophobicContact CG2-CG 4.49Å; I456-L460 WeakPolarHBondContact O-CB 3.45Å; I456-L460 WeakPolarHBondContact O-CG 3.48Å; I456-L460 PolarHBondContact O-N 2.76Å; L460-G462 VanDerWaalsContact C-N 3.33Å; L460-G462 PolarHBondContact O-N 3.46Å; L460-K463 CarbonylContact O-C 3.57Å; L460-K463 WeakPolarHBondContact O-CB 3.48Å; L460-K463 PolarHBondContact O-N 3.34Å; L460-K463 VanDerWaalsContact O-N 3.15Å; L460-E464 PolarHBondContact O-N 3.15Å
461K83.1Confident81.5Confident124 Ų124103.9 Ų103.954%0.53952%0.523SS..Hα-helixtrans-64.7-37176.1-174177.7-179.1-179.30112.1A457 E458 K463 E464 Q465A457-K461 VanDerWaalsContact O-CB 3.28Å; A457-K461 WeakPolarHBondContact O-CB 3.46Å; A457-K461 PolarHBondContact O-N 2.84Å; E458-K461 PolarHBondContact O-N 3.43Å; K461-K463 VanDerWaalsContact C-N 3.35Å; K461-E464 PolarHBondContact O-N 2.83Å; K461-Q465 PolarHBondContact O-N 3.34Å
462G81.9Confident81.9Confident43 Ų43101.9 Ų101.944%0.44352%0.516SS..Hα-helixtrans-60.1-43.817000000112.3E458 E459 L460 Q465 E466E458-G462 PolarHBondContact O-N 3Å; E459-G462 PolarHBondContact O-N 3.39Å; L460-G462 VanDerWaalsContact C-N 3.33Å; L460-G462 PolarHBondContact O-N 3.46Å; G462-Q465 PolarHBondContact O-N 3.13Å; G462-E466 PolarHBondContact O-N 3.25Å
463K82.1Confident82.5Confident121 Ų12199.8 Ų99.853%0.52652%0.515SS..Hα-helixtrans-65-37.8174.8-77.1-75.2160.1-157.70113.2E459 L460 K461 E466 L467E459-K463 PolarHBondContact O-N 3.18Å; E459-K463 VanDerWaalsContact O-N 3.09Å; L460-K463 CarbonylContact O-C 3.57Å; L460-K463 WeakPolarHBondContact O-CB 3.48Å; L460-K463 PolarHBondContact O-N 3.34Å; L460-K463 VanDerWaalsContact O-N 3.15Å; K461-K463 VanDerWaalsContact C-N 3.35Å; K463-E466 IonicContact NZ-OE2 2.55Å; K463-E466 PolarHBondContact NZ-OE2 3.5Å; K463-E466 PolarHBondContact O-N 3.33Å; K463-L467 WeakPolarHBondContact O-CB 3.45Å; K463-L467 PolarHBondContact O-N 2.96Å
464E80.8Confident82.9Confident115 Ų115101.2 Ų101.254%0.53752%0.516SS..Hα-helixtrans-62.4-47.4174.3-176.6179.9-160.900111.2L460 K461 E466 L467 I468L460-E464 PolarHBondContact O-N 3.15Å; K461-E464 PolarHBondContact O-N 2.83Å; E464-E466 VanDerWaalsContact C-N 3.34Å; E464-E466 PolarHBondContact O-N 2.96Å; E464-L467 PolarHBondContact O-N 2.97Å; E464-I468 HydrophobicContact CG-CD1 4.01Å; E464-I468 VanDerWaalsContact O-CG1 3.28Å; E464-I468 WeakPolarHBondContact O-CG1 3.38Å; E464-I468 PolarHBondContact O-N 3.21Å
465Q83.1Confident83.2Confident113 Ų113101 Ų10153%0.52852%0.515SS..Hα-helixtrans-58.9-42174.7-119.975.875.700112.5K461 G462 I468 G469K461-Q465 PolarHBondContact O-N 3.34Å; G462-Q465 PolarHBondContact O-N 3.13Å; Q465-I468 PolarHBondContact O-N 3.29Å; Q465-G469 PolarHBondContact O-N 2.7Å; Q465-G469 VanDerWaalsContact O-N 3.09Å
466E83.5Confident83.5Confident110 Ų110102.2 Ų102.251%0.51452%0.52SS..Hα-helixtrans-64.9-42.8177.3-172.3177.3-131.800111.8G462 K463 E464 G469 L470G462-E466 PolarHBondContact O-N 3.25Å; K463-E466 IonicContact NZ-OE2 2.55Å; K463-E466 PolarHBondContact NZ-OE2 3.5Å; K463-E466 PolarHBondContact O-N 3.33Å; E464-E466 VanDerWaalsContact C-N 3.34Å; E464-E466 PolarHBondContact O-N 2.96Å; E466-G469 PolarHBondContact O-N 3.31Å; E466-L470 PolarHBondContact O-N 3.03Å; E466-L470 VanDerWaalsContact O-N 3.14Å
467L83.9Confident83.9Confident114 Ų114102.6 Ų102.660%0.59752%0.52SS*.Hα-helixtrans-64.6-42.2174.8-108.2143.6000112.5K463 E464 G469 L470 L471K463-L467 WeakPolarHBondContact O-CB 3.45Å; K463-L467 PolarHBondContact O-N 2.96Å; E464-L467 PolarHBondContact O-N 2.97Å; L467-G469 VanDerWaalsContact C-N 3.31Å; L467-G469 PolarHBondContact O-N 3.33Å; L467-L470 PolarHBondContact O-N 3.43Å; L467-L471 WeakPolarHBondContact O-CB 3.28Å; L467-L471 PolarHBondContact O-N 3.44Å
468I88.6Confident84.2Confident68 Ų68104.3 Ų104.335%0.34952%0.524SS..Hα-helixtrans-60.3-41.8175.4-70.5163.9000110.7E464 Q465 L470 L471 Q472E464-I468 HydrophobicContact CG-CD1 4.01Å; E464-I468 VanDerWaalsContact O-CG1 3.28Å; E464-I468 WeakPolarHBondContact O-CG1 3.38Å; E464-I468 PolarHBondContact O-N 3.21Å; Q465-I468 PolarHBondContact O-N 3.29Å; I468-L470 PolarHBondContact O-N 2.99Å; I468-L471 PolarHBondContact O-N 3.29Å; I468-Q472 HydrophobicContact CG2-CG 4.45Å; I468-Q472 WeakPolarHBondContact O-CB 3.43Å; I468-Q472 WeakPolarHBondContact O-CG 3.44Å; I468-Q472 PolarHBondContact O-N 3.39Å
469G86.1Confident84.5Confident40 Ų40102.6 Ų102.641%0.41252%0.516SS..Hα-helixtrans-61.6-41.1175.800000113.2Q465 E466 L467 A473Q465-G469 PolarHBondContact O-N 2.7Å; Q465-G469 VanDerWaalsContact O-N 3.09Å; E466-G469 PolarHBondContact O-N 3.31Å; L467-G469 VanDerWaalsContact C-N 3.31Å; L467-G469 PolarHBondContact O-N 3.33Å; G469-A473 WeakPolarHBondContact O-CB 3.28Å; G469-A473 PolarHBondContact O-N 2.76Å; G469-A473 VanDerWaalsContact O-N 3.07Å
470L87Confident84.7Confident113 Ų113101.5 Ų101.559%0.59251%0.514SS*.Hα-helixtrans-69.1-35.4174.8-69.5171.4000112.7E466 L467 I468 A473 R474E466-L470 PolarHBondContact O-N 3.03Å; E466-L470 VanDerWaalsContact O-N 3.14Å; L467-L470 PolarHBondContact O-N 3.43Å; I468-L470 PolarHBondContact O-N 2.99Å; L470-A473 PolarHBondContact O-N 2.64Å; L470-R474 PolarHBondContact O-N 2.64Å
471L85.4Confident85.2Confident98 Ų98101 Ų10151%0.51351%0.512SS..Hα-helixtrans-66.4-47.8176.5-137.4169.1000110.5L467 I468 A473 R474 E475L467-L471 WeakPolarHBondContact O-CB 3.28Å; L467-L471 PolarHBondContact O-N 3.44Å; I468-L471 PolarHBondContact O-N 3.29Å; L471-A473 VanDerWaalsContact C-N 3.26Å; L471-A473 PolarHBondContact O-N 3.1Å; L471-R474 CarbonylContact O-C 3.53Å; L471-R474 WeakPolarHBondContact O-CB 3.5Å; L471-R474 PolarHBondContact O-N 2.93Å; L471-R474 VanDerWaalsContact O-N 3.07Å; L471-E475 HydrophobicContact CD2-CG 3.99Å; L471-E475 WeakPolarHBondContact O-CG 3.49Å; L471-E475 PolarHBondContact O-N 3.28Å
472Q85.9Confident85.5Confident103 Ų103100.4 Ų100.448%0.48151%0.51SS..Hα-helixtrans-63.8-27.7175.3-71.2178.8-3.600113.6I468 E475 K476I468-Q472 HydrophobicContact CG2-CG 4.45Å; I468-Q472 WeakPolarHBondContact O-CB 3.43Å; I468-Q472 WeakPolarHBondContact O-CG 3.44Å; I468-Q472 PolarHBondContact O-N 3.39Å; Q472-E475 WeakPolarHBondContact CA-OE2 3.31Å; Q472-K476 WeakPolarHBondContact O-CG 3.42Å; Q472-K476 PolarHBondContact O-N 2.81Å
473A85.4Confident85.9Confident49 Ų49102 Ų10241%0.40551%0.508SS..Hα-helixtrans-69.8-45170.500000111.3G469 L470 L471 K476 E477G469-A473 WeakPolarHBondContact O-CB 3.28Å; G469-A473 PolarHBondContact O-N 2.76Å; G469-A473 VanDerWaalsContact O-N 3.07Å; L470-A473 PolarHBondContact O-N 2.64Å; L471-A473 VanDerWaalsContact C-N 3.26Å; L471-A473 PolarHBondContact O-N 3.1Å; A473-K476 PolarHBondContact O-N 3.14Å; A473-E477 PolarHBondContact O-N 2.9Å; A473-E477 VanDerWaalsContact O-N 3.07Å
474R84.2Confident86Confident168 Ų168101.9 Ų101.963%0.63451%0.509SS*.Hα-helixtrans-64.2-38.5174.5-76.8-55.6-152-174.73.8113.1L470 L471 K476 E477 V478L470-R474 PolarHBondContact O-N 2.64Å; L471-R474 CarbonylContact O-C 3.53Å; L471-R474 WeakPolarHBondContact O-CB 3.5Å; L471-R474 PolarHBondContact O-N 2.93Å; L471-R474 VanDerWaalsContact O-N 3.07Å; R474-K476 VanDerWaalsContact C-N 3.28Å; R474-K476 PolarHBondContact O-N 3.06Å; R474-E477 WeakPolarHBondContact CD-OE2 3.42Å; R474-E477 IonicContact CZ-OE2 2.85Å; R474-E477 IonicContact NE-OE2 2.58Å; R474-E477 IonicContact NH1-OE2 3.91Å; R474-E477 PolarHBondContact NH1-OE2 3.43Å; R474-E477 PolarHBondContact O-N 3.29Å; R474-V478 WeakPolarHBondContact O-CB 3.43Å; R474-V478 VanDerWaalsContact O-CG2 3.3Å; R474-V478 WeakPolarHBondContact O-CG2 3.35Å; R474-V478 PolarHBondContact O-N 2.9Å
475E85.3Confident86.3Confident112 Ų112101.8 Ų101.852%0.52351%0.512SS..Hα-helixtrans-60.1-39.1175.7-73.8170.5159.700111.5L471 Q472 H479L471-E475 HydrophobicContact CD2-CG 3.99Å; L471-E475 WeakPolarHBondContact O-CG 3.49Å; L471-E475 PolarHBondContact O-N 3.28Å; Q472-E475 WeakPolarHBondContact CA-OE2 3.31Å; E475-H479 WeakPolarHBondContact O-CB 3.16Å; E475-H479 PolarHBondContact O-N 2.86Å
476K86.9Confident86.5Confident141 Ų141100 Ų10061%0.61351%0.509SS*.Hα-helixtrans-68-46.6174.1-71.6171-176.7174.70112.5Q472 A473 R474 V478 H479 D480Q472-K476 WeakPolarHBondContact O-CG 3.42Å; Q472-K476 PolarHBondContact O-N 2.81Å; A473-K476 PolarHBondContact O-N 3.14Å; R474-K476 VanDerWaalsContact C-N 3.28Å; R474-K476 PolarHBondContact O-N 3.06Å; K476-V478 VanDerWaalsContact C-N 3.28Å; K476-V478 PolarHBondContact O-N 3.45Å; K476-H479 PolarHBondContact O-N 3.02Å; K476-H479 VanDerWaalsContact O-N 3.15Å; K476-D480 PolarHBondContact O-N 3.42Å
477E87.2Confident86.6Confident97 Ų9798.6 Ų98.645%0.45351%0.508SS..Hα-helixtrans-58.5-40.5175.1-71.2-179.7159.100112.2A473 R474 L481A473-E477 PolarHBondContact O-N 2.9Å; A473-E477 VanDerWaalsContact O-N 3.07Å; R474-E477 WeakPolarHBondContact CD-OE2 3.42Å; R474-E477 IonicContact CZ-OE2 2.85Å; R474-E477 IonicContact NE-OE2 2.58Å; R474-E477 IonicContact NH1-OE2 3.91Å; R474-E477 PolarHBondContact NH1-OE2 3.43Å; R474-E477 PolarHBondContact O-N 3.29Å; E477-L481 WeakPolarHBondContact O-CB 3.43Å; E477-L481 VanDerWaalsContact O-CG 3.24Å; E477-L481 WeakPolarHBondContact O-CG 3.47Å; E477-L481 PolarHBondContact O-N 3.42Å
478V85.4Confident86.7Confident93 Ų9397.2 Ų97.256%0.56450%0.504SS*.Hα-helixtrans-65.6-42.1175.7168.90000111R474 K476 L481 E482R474-V478 WeakPolarHBondContact O-CB 3.43Å; R474-V478 VanDerWaalsContact O-CG2 3.3Å; R474-V478 WeakPolarHBondContact O-CG2 3.35Å; R474-V478 PolarHBondContact O-N 2.9Å; K476-V478 VanDerWaalsContact C-N 3.28Å; K476-V478 PolarHBondContact O-N 3.45Å; V478-L481 PolarHBondContact O-N 2.94Å; V478-E482 WeakPolarHBondContact O-CB 3.48Å; V478-E482 PolarHBondContact O-N 2.67Å
479H88Confident86.6Confident100 Ų10096.5 Ų96.546%0.46350%0.503SS..Hα-helixtrans-69.5-38.4178.4-168.453.6000112.9E475 K476 L481 E482 I483E475-H479 WeakPolarHBondContact O-CB 3.16Å; E475-H479 PolarHBondContact O-N 2.86Å; K476-H479 PolarHBondContact O-N 3.02Å; K476-H479 VanDerWaalsContact O-N 3.15Å; H479-L481 VanDerWaalsContact C-N 3.3Å; H479-L481 PolarHBondContact O-N 3.17Å; H479-E482 IonicContact CE1-OE2 2.68Å; H479-E482 IonicContact ND1-OE2 2.79Å; H479-E482 PolarHBondContact ND1-OE2 2.91Å; H479-E482 WeakPolarHBondContact O-CB 3.39Å; H479-E482 PolarHBondContact O-N 2.67Å; H479-I483 WeakPolarHBondContact O-CG1 3.3Å; H479-I483 PolarHBondContact O-N 2.87Å
480D87Confident86.7Confident93 Ų9398.6 Ų98.650%0.49751%0.508SS..Hα-helixtrans-64.1-35.8173.4-73.2-26.2000111.5K476 Q484K476-D480 PolarHBondContact O-N 3.42Å; D480-Q484 WeakPolarHBondContact O-CG 3.3Å; D480-Q484 PolarHBondContact O-N 2.94Å
481L89.4Confident86.6Confident107 Ų10795.6 Ų95.656%0.5650%0.497SS*.Hα-helixtrans-71.5-33.3172.1-72.8170.2000112.7E477 V478 H479 Q484 L485E477-L481 WeakPolarHBondContact O-CB 3.43Å; E477-L481 VanDerWaalsContact O-CG 3.24Å; E477-L481 WeakPolarHBondContact O-CG 3.47Å; E477-L481 PolarHBondContact O-N 3.42Å; V478-L481 PolarHBondContact O-N 2.94Å; H479-L481 VanDerWaalsContact C-N 3.3Å; H479-L481 PolarHBondContact O-N 3.17Å; L481-Q484 PolarHBondContact O-N 2.99Å; L481-L485 VanDerWaalsContact O-CB 3.31Å; L481-L485 WeakPolarHBondContact O-CB 3.48Å; L481-L485 PolarHBondContact O-N 3.38Å
482E88.4Confident86.7Confident110 Ų11097 Ų9751%0.51450%0.5SS..Hα-helixtrans-68.6-38.3174-175.6178-131.300111.7V478 H479 L485 T486V478-E482 WeakPolarHBondContact O-CB 3.48Å; V478-E482 PolarHBondContact O-N 2.67Å; H479-E482 IonicContact CE1-OE2 2.68Å; H479-E482 IonicContact ND1-OE2 2.79Å; H479-E482 PolarHBondContact ND1-OE2 2.91Å; H479-E482 WeakPolarHBondContact O-CB 3.39Å; H479-E482 PolarHBondContact O-N 2.67Å; E482-L485 PolarHBondContact O-N 2.94Å; E482-T486 WeakPolarHBondContact O-CB 3.43Å; E482-T486 WeakPolarHBondContact O-CG2 3.48Å; E482-T486 PolarHBondContact O-N 3.36Å; E482-T486 PolarHBondContact O-OG1 3.1Å
483I89.6Confident86.7Confident78 Ų7898.1 Ų98.140%0.451%0.506SS..Hα-helixtrans-62.8-47.1170-68.7164.8000110.1H479 L485 T486 T487H479-I483 WeakPolarHBondContact O-CG1 3.3Å; H479-I483 PolarHBondContact O-N 2.87Å; I483-L485 PolarHBondContact O-N 3.09Å; I483-T486 WeakPolarHBondContact CA-OG1 3.33Å; I483-T486 PolarHBondContact O-N 3.02Å; I483-T486 PolarHBondContact O-OG1 3.29Å; I483-T487 WeakPolarHBondContact O-CG2 3.46Å; I483-T487 PolarHBondContact O-N 3.17Å; I483-T487 PolarHBondContact O-OG1 3.25Å
484Q85.3Confident87Confident117 Ų117102.5 Ų102.555%0.54751%0.513SS..Hα-helixtrans-60.2-46.7175.2-74.3176.248.800111.7D480 L481 T486 T487 V488D480-Q484 WeakPolarHBondContact O-CG 3.3Å; D480-Q484 PolarHBondContact O-N 2.94Å; L481-Q484 PolarHBondContact O-N 2.99Å; Q484-T486 PolarHBondContact O-N 3.2Å; Q484-T487 PolarHBondContact O-N 3.02Å; Q484-T487 PolarHBondContact O-OG1 2.86Å; Q484-V488 WeakPolarHBondContact O-CG2 3.35Å; Q484-V488 PolarHBondContact O-N 3.29Å
485L86.6Confident87Confident114 Ų114101.3 Ų101.360%0.59751%0.509SS*.Hα-helixtrans-59.8-43.4178.5-174.862.5000111.9L481 E482 I483 V488 T489L481-L485 VanDerWaalsContact O-CB 3.31Å; L481-L485 WeakPolarHBondContact O-CB 3.48Å; L481-L485 PolarHBondContact O-N 3.38Å; E482-L485 PolarHBondContact O-N 2.94Å; I483-L485 PolarHBondContact O-N 3.09Å; L485-V488 PolarHBondContact O-N 2.91Å; L485-T489 PolarHBondContact O-N 2.82Å; L485-T489 PolarHBondContact O-OG1 2.96Å; L485-T489 VanDerWaalsContact O-OG1 3.11Å
486T86.6Confident87.2Confident76 Ų7698.7 Ų98.747%0.46650%0.503SS..Hα-helixtrans-68-33.3176.750.10000113E482 I483 Q484 T489 T490E482-T486 WeakPolarHBondContact O-CB 3.43Å; E482-T486 WeakPolarHBondContact O-CG2 3.48Å; E482-T486 PolarHBondContact O-N 3.36Å; E482-T486 PolarHBondContact O-OG1 3.1Å; I483-T486 WeakPolarHBondContact CA-OG1 3.33Å; I483-T486 PolarHBondContact O-N 3.02Å; I483-T486 PolarHBondContact O-OG1 3.29Å; Q484-T486 PolarHBondContact O-N 3.2Å; T486-T489 PolarHBondContact O-N 3.22Å; T486-T490 WeakPolarHBondContact O-CB 3.42Å; T486-T490 VanDerWaalsContact O-CG2 3.3Å; T486-T490 WeakPolarHBondContact O-CG2 3.27Å; T486-T490 PolarHBondContact O-N 2.91Å; T486-T490 PolarHBondContact O-OG1 3.11Å
487T86.8Confident87.4Confident79 Ų7998.2 Ų98.249%0.48550%0.501SS..Hα-helixtrans-66.2-34.8169.862.50000113.1I483 Q484 T490 S491I483-T487 WeakPolarHBondContact O-CG2 3.46Å; I483-T487 PolarHBondContact O-N 3.17Å; I483-T487 PolarHBondContact O-OG1 3.25Å; Q484-T487 PolarHBondContact O-N 3.02Å; Q484-T487 PolarHBondContact O-OG1 2.86Å; T487-T490 WeakPolarHBondContact CA-OG1 3.39Å; T487-T490 PolarHBondContact O-OG1 3.02Å; T487-S491 PolarHBondContact O-N 3.31Å; T487-S491 VanDerWaalsContact O-N 3.17Å; T487-S491 PolarHBondContact O-OG 3.44Å
488V85.6Confident87.5Confident86 Ų8697.4 Ų97.452%0.52150%0.497SS..Hα-helixtrans-68.7-46.5172.4174.80000111Q484 L485 T490 S491 E492Q484-V488 WeakPolarHBondContact O-CG2 3.35Å; Q484-V488 PolarHBondContact O-N 3.29Å; L485-V488 PolarHBondContact O-N 2.91Å; V488-T490 PolarHBondContact O-N 2.65Å; V488-S491 PolarHBondContact O-N 3.08Å; V488-S491 PolarHBondContact O-OG 3.44Å; V488-E492 WeakPolarHBondContact O-CB 3.5Å; V488-E492 PolarHBondContact O-N 3.42Å
489T87.5Confident87.4Confident52 Ų5297.6 Ų97.632%0.31950%0.498SS..Hα-helixtrans-64-38.3178.7-590000112.8L485 T486 Q493L485-T489 PolarHBondContact O-N 2.82Å; L485-T489 PolarHBondContact O-OG1 2.96Å; L485-T489 VanDerWaalsContact O-OG1 3.11Å; T486-T489 PolarHBondContact O-N 3.22Å; T489-Q493 WeakPolarHBondContact O-CB 3.39Å; T489-Q493 VanDerWaalsContact O-CG 3.24Å; T489-Q493 WeakPolarHBondContact O-CG 3.31Å; T489-Q493 PolarHBondContact O-N 3.03Å
490T87.3Confident87.4Confident84 Ų8498.5 Ų98.552%0.51550%0.501SS..Hα-helixtrans-70.5-37177.547.70000112.7T486 T487 V488 Q493 Y494T486-T490 WeakPolarHBondContact O-CB 3.42Å; T486-T490 VanDerWaalsContact O-CG2 3.3Å; T486-T490 WeakPolarHBondContact O-CG2 3.27Å; T486-T490 PolarHBondContact O-N 2.91Å; T486-T490 PolarHBondContact O-OG1 3.11Å; T487-T490 WeakPolarHBondContact CA-OG1 3.39Å; T487-T490 PolarHBondContact O-OG1 3.02Å; V488-T490 PolarHBondContact O-N 2.65Å; T490-Q493 PolarHBondContact O-N 2.94Å; T490-Y494 PolarHBondContact O-N 3.43Å
491S85.3Confident87.5Confident51 Ų5197.6 Ų97.636%0.35750%0.496SS..Hα-helixtrans-71.1-37.4172.350.90000112.7T487 V488 Q493 Y494 Y495T487-S491 PolarHBondContact O-N 3.31Å; T487-S491 VanDerWaalsContact O-N 3.17Å; T487-S491 PolarHBondContact O-OG 3.44Å; V488-S491 PolarHBondContact O-N 3.08Å; V488-S491 PolarHBondContact O-OG 3.44Å; S491-Q493 VanDerWaalsContact C-N 3.34Å; S491-Q493 PolarHBondContact O-N 3.41Å; S491-Y494 WeakPolarHBondContact O-CB 3.41Å; S491-Y494 PolarHBondContact O-N 3.12Å; S491-Y495 WeakPolarHBondContact O-CD2 3.41Å; S491-Y495 PolarHBondContact O-N 3.09Å
492E86.5Confident87.5Confident127 Ų12797.5 Ų97.559%0.59350%0.496SS*.Hα-helixtrans-59.6-42.9169.4-175-177.6-170.400111.5V488 Y495 S496V488-E492 WeakPolarHBondContact O-CB 3.5Å; V488-E492 PolarHBondContact O-N 3.42Å; E492-Y495 PolarHBondContact O-N 3.34Å; E492-S496 WeakPolarHBondContact O-CB 3.27Å; E492-S496 PolarHBondContact O-N 3.44Å
493Q87.2Confident87.4Confident126 Ų12698.8 Ų98.859%0.58950%0.5SS*.Hα-helixtrans-64.8-37.1175.1-75.717716.100112.7T489 T490 S491 S496 K497T489-Q493 WeakPolarHBondContact O-CB 3.39Å; T489-Q493 VanDerWaalsContact O-CG 3.24Å; T489-Q493 WeakPolarHBondContact O-CG 3.31Å; T489-Q493 PolarHBondContact O-N 3.03Å; T490-Q493 PolarHBondContact O-N 2.94Å; S491-Q493 VanDerWaalsContact C-N 3.34Å; S491-Q493 PolarHBondContact O-N 3.41Å; Q493-S496 PolarHBondContact O-N 2.85Å; Q493-K497 PolarHBondContact O-N 2.66Å
494Y91.3Very high87.4Confident141 Ų14199.1 Ų99.155%0.55351%0.505SS*.Hα-helixtrans-59.4-56172.8173.9-85.6000111T490 S491 S496 K497 E498T490-Y494 PolarHBondContact O-N 3.43Å; S491-Y494 WeakPolarHBondContact O-CB 3.41Å; S491-Y494 PolarHBondContact O-N 3.12Å; Y494-S496 VanDerWaalsContact C-N 3.29Å; Y494-S496 PolarHBondContact O-N 2.72Å; Y494-K497 WeakPolarHBondContact O-CA 3.45Å; Y494-K497 WeakPolarHBondContact O-CB 3.44Å; Y494-K497 PolarHBondContact O-N 3.33Å; Y494-E498 WeakPolarHBondContact CE1-OE2 3.39Å; Y494-E498 PolarHBondContact O-N 2.94Å
495Y83.1Confident87.6Confident144 Ų14499.3 Ų99.357%0.56551%0.506SS*.Hα-helixtrans-63.5-35.6178.7-63.3-57.9000112S491 E492 K497 E498 V499S491-Y495 WeakPolarHBondContact O-CD2 3.41Å; S491-Y495 PolarHBondContact O-N 3.09Å; E492-Y495 PolarHBondContact O-N 3.34Å; Y495-K497 PolarHBondContact O-N 2.61Å; Y495-E498 WeakPolarHBondContact CD1-OE2 3.25Å; Y495-E498 PolarHBondContact O-N 3.3Å; Y495-V499 WeakPolarHBondContact O-CB 3.46Å; Y495-V499 VanDerWaalsContact O-CG2 3.29Å; Y495-V499 WeakPolarHBondContact O-CG2 3.48Å; Y495-V499 PolarHBondContact O-N 2.93Å
496S89.8Confident87.6Confident57 Ų5798.6 Ų98.640%0.39950%0.503SS..Hα-helixtrans-64.5-24.6173.5-169.60000112.8E492 Q493 Y494 K500E492-S496 WeakPolarHBondContact O-CB 3.27Å; E492-S496 PolarHBondContact O-N 3.44Å; Q493-S496 PolarHBondContact O-N 2.85Å; Y494-S496 VanDerWaalsContact C-N 3.29Å; Y494-S496 PolarHBondContact O-N 2.72Å; S496-K500 VanDerWaalsContact O-CG 3.28Å; S496-K500 WeakPolarHBondContact O-CG 3.43Å; S496-K500 PolarHBondContact O-NZ 2.93Å; S496-K500 PolarHBondContact OG-NZ 3.39Å
497K91Very high87.7Confident130 Ų13099.4 Ų99.457%0.56550%0.501SS*.Hα-helixtrans-81.6-50.3172.6-166.4-160171.6-145.70110.7Q493 Y494 Y495 V499 K500 D501Q493-K497 PolarHBondContact O-N 2.66Å; Y494-K497 WeakPolarHBondContact O-CA 3.45Å; Y494-K497 WeakPolarHBondContact O-CB 3.44Å; Y494-K497 PolarHBondContact O-N 3.33Å; Y495-K497 PolarHBondContact O-N 2.61Å; K497-V499 VanDerWaalsContact C-N 3.28Å; K497-V499 PolarHBondContact O-N 2.95Å; K497-K500 WeakPolarHBondContact O-CA 3.42Å; K497-K500 WeakPolarHBondContact O-CB 3.46Å; K497-K500 PolarHBondContact O-N 2.95Å; K497-D501 VanDerWaalsContact CE-OD2 3.24Å; K497-D501 WeakPolarHBondContact CE-OD2 3.22Å; K497-D501 IonicContact NZ-OD2 3.99Å; K497-D501 PolarHBondContact NZ-OD2 3.48Å; K497-D501 PolarHBondContact O-N 2.94Å
498E89.4Confident87.8Confident80 Ų80100.4 Ų100.437%0.37450%0.504SS..Hα-helixtrans-53.5-43.1177.9-172.1170.6-14200112.1Y494 Y495 K500 D501 L502Y494-E498 WeakPolarHBondContact CE1-OE2 3.39Å; Y494-E498 PolarHBondContact O-N 2.94Å; Y495-E498 WeakPolarHBondContact CD1-OE2 3.25Å; Y495-E498 PolarHBondContact O-N 3.3Å; E498-K500 VanDerWaalsContact C-N 3.33Å; E498-K500 PolarHBondContact O-N 3.36Å; E498-D501 PolarHBondContact O-N 3.32Å; E498-L502 HydrophobicContact CG-CD1 4.21Å; E498-L502 WeakPolarHBondContact O-CB 3.4Å; E498-L502 WeakPolarHBondContact O-CG 3.46Å; E498-L502 PolarHBondContact O-N 2.87Å
499V82.8Confident87.7Confident97 Ų97100.5 Ų100.559%0.58850%0.498SS*.Hα-helixtrans-66-28.5174.4169.70000113.4Y495 K497 K503Y495-V499 WeakPolarHBondContact O-CB 3.46Å; Y495-V499 VanDerWaalsContact O-CG2 3.29Å; Y495-V499 WeakPolarHBondContact O-CG2 3.48Å; Y495-V499 PolarHBondContact O-N 2.93Å; K497-V499 VanDerWaalsContact C-N 3.28Å; K497-V499 PolarHBondContact O-N 2.95Å; V499-K503 WeakPolarHBondContact O-CB 3.35Å; V499-K503 PolarHBondContact O-N 3.3Å
500K88.6Confident87.7Confident119 Ų119102.8 Ų102.852%0.51750%0.504SS..Hα-helixtrans-75.6-45.4173-71176.2-167.192.30110.8S496 K497 E498 K503 T504S496-K500 VanDerWaalsContact O-CG 3.28Å; S496-K500 WeakPolarHBondContact O-CG 3.43Å; S496-K500 PolarHBondContact O-NZ 2.93Å; S496-K500 PolarHBondContact OG-NZ 3.39Å; K497-K500 WeakPolarHBondContact O-CA 3.42Å; K497-K500 WeakPolarHBondContact O-CB 3.46Å; K497-K500 PolarHBondContact O-N 2.95Å; E498-K500 VanDerWaalsContact C-N 3.33Å; E498-K500 PolarHBondContact O-N 3.36Å; K500-K503 WeakPolarHBondContact O-CB 3.47Å; K500-K503 PolarHBondContact O-N 3.37Å; K500-K503 VanDerWaalsContact O-N 3.13Å; K500-T504 PolarHBondContact O-N 2.96Å
501D88.6Confident87.8Confident75 Ų75103.8 Ų103.840%0.40151%0.505SS..Hα-helixtrans-62.4-51.3-177.3-63.2-11.8000109.3K497 E498 K503 T504 E505K497-D501 VanDerWaalsContact CE-OD2 3.24Å; K497-D501 WeakPolarHBondContact CE-OD2 3.22Å; K497-D501 IonicContact NZ-OD2 3.99Å; K497-D501 PolarHBondContact NZ-OD2 3.48Å; K497-D501 PolarHBondContact O-N 2.94Å; E498-D501 PolarHBondContact O-N 3.32Å; D501-K503 VanDerWaalsContact C-N 3.27Å; D501-K503 PolarHBondContact O-N 3.3Å; D501-T504 PolarHBondContact O-N 3.46Å; D501-T504 PolarHBondContact O-OG1 2.78Å; D501-E505 PolarHBondContact O-N 3.04Å
502L90.1Very high88Confident105 Ų105104.8 Ų104.855%0.5550%0.503SS..Hα-helixtrans-56.9-34.8172.2-72.4170.7000113.6E498 E505 L506E498-L502 HydrophobicContact CG-CD1 4.21Å; E498-L502 WeakPolarHBondContact O-CB 3.4Å; E498-L502 WeakPolarHBondContact O-CG 3.46Å; E498-L502 PolarHBondContact O-N 2.87Å; L502-E505 PolarHBondContact O-N 2.91Å; L502-L506 WeakPolarHBondContact O-CB 3.26Å; L502-L506 PolarHBondContact O-N 3.21Å
503K87.4Confident87.9Confident137 Ų137103.5 Ų103.560%0.59650%0.501SS*.Hα-helixtrans-71.1-33.8176.7-176.9174.7-179.8178.70112.2V499 K500 D501 E507V499-K503 WeakPolarHBondContact O-CB 3.35Å; V499-K503 PolarHBondContact O-N 3.3Å; K500-K503 WeakPolarHBondContact O-CB 3.47Å; K500-K503 PolarHBondContact O-N 3.37Å; K500-K503 VanDerWaalsContact O-N 3.13Å; D501-K503 VanDerWaalsContact C-N 3.27Å; D501-K503 PolarHBondContact O-N 3.3Å; K503-E507 PolarHBondContact O-N 3.04Å
504T88.7Confident87.9Confident84 Ų84101.7 Ų101.752%0.51550%0.498SS..Hα-helixtrans-69.9-38172.859.80000111.9K500 D501 E507 N508K500-T504 PolarHBondContact O-N 2.96Å; D501-T504 PolarHBondContact O-N 3.46Å; D501-T504 PolarHBondContact O-OG1 2.78Å; T504-E507 PolarHBondContact O-N 3.42Å; T504-N508 VanDerWaalsContact O-CG 3.32Å; T504-N508 PolarHBondContact O-N 3.43Å; T504-N508 PolarHBondContact O-ND2 2.95Å
505E89.3Confident87.8Confident121 Ų121100.4 Ų100.457%0.56550%0.497SS*.Hα-helixtrans-64.1-40.2175.5-170.2138.7-118.200112.4D501 L502 E507 N508 E509D501-E505 PolarHBondContact O-N 3.04Å; L502-E505 PolarHBondContact O-N 2.91Å; E505-E507 VanDerWaalsContact C-N 3.33Å; E505-E507 PolarHBondContact O-N 3.45Å; E505-N508 WeakPolarHBondContact O-CB 3.41Å; E505-N508 PolarHBondContact O-N 3.03Å; E505-E509 PolarHBondContact O-N 3.02Å
506L87.5Confident88Confident100 Ų10098 Ų9852%0.52449%0.494SS..Hα-helixtrans-60.5-37.2173.6-179.762.2000113.3L502 K510L502-L506 WeakPolarHBondContact O-CB 3.26Å; L502-L506 PolarHBondContact O-N 3.21Å; L506-K510 VanDerWaalsContact O-CG 3.3Å; L506-K510 WeakPolarHBondContact O-CG 3.3Å; L506-K510 PolarHBondContact O-N 3.41Å
507E87.1Confident87.9Confident92 Ų9298.7 Ų98.743%0.4350%0.495SS..Hα-helixtrans-74.9-34174.2-60.7-54.2145.500112.3K503 T504 E505 K510 L511K503-E507 PolarHBondContact O-N 3.04Å; T504-E507 PolarHBondContact O-N 3.42Å; E505-E507 VanDerWaalsContact C-N 3.33Å; E505-E507 PolarHBondContact O-N 3.45Å; E507-K510 PolarHBondContact O-N 3.24Å; E507-K510 IonicContact OE1-NZ 3.05Å; E507-K510 PolarHBondContact OE1-NZ 2.96Å; E507-K510 WeakPolarHBondContact OE2-CD 3.42Å; E507-K510 IonicContact OE2-NZ 3.63Å; E507-K510 PolarHBondContact OE2-NZ 3.48Å; E507-K510 VanDerWaalsContact OE2-NZ 3.1Å; E507-L511 PolarHBondContact O-N 3.38Å
508N90Very high87.8Confident101 Ų10195.7 Ų95.754%0.5449%0.491SS..Hα-helixtrans-63.1-43.5173.9-71.2-22.8000112T504 E505 L511 K512T504-N508 VanDerWaalsContact O-CG 3.32Å; T504-N508 PolarHBondContact O-N 3.43Å; T504-N508 PolarHBondContact O-ND2 2.95Å; E505-N508 WeakPolarHBondContact O-CB 3.41Å; E505-N508 PolarHBondContact O-N 3.03Å; N508-L511 WeakPolarHBondContact O-CB 3.5Å; N508-L511 PolarHBondContact O-N 2.91Å; N508-K512 WeakPolarHBondContact O-CB 3.42Å; N508-K512 PolarHBondContact O-N 3.45Å
509E84Confident87.7Confident87 Ų8797.5 Ų97.541%0.40750%0.499SS..Hα-helixtrans-71.8-29.8177.3-80.1-62.4148.600113E505 K512 N513E505-E509 PolarHBondContact O-N 3.02Å; E509-K512 WeakPolarHBondContact OE1-CD 3.4Å; E509-K512 IonicContact OE1-NZ 3.44Å; E509-K512 PolarHBondContact OE1-NZ 3.38Å; E509-K512 IonicContact OE2-NZ 2.67Å; E509-K512 PolarHBondContact OE2-NZ 2.93Å; E509-N513 WeakPolarHBondContact O-CB 3.41Å; E509-N513 PolarHBondContact O-N 2.8Å
510K86.3Confident87.8Confident101 Ų10196.8 Ų96.844%0.43950%0.497SS..Hα-helixtrans-61.6-44.2166.6-75.1166.2-178.4175.90111.9L506 E507 N513 T514L506-K510 VanDerWaalsContact O-CG 3.3Å; L506-K510 WeakPolarHBondContact O-CG 3.3Å; L506-K510 PolarHBondContact O-N 3.41Å; E507-K510 PolarHBondContact O-N 3.24Å; E507-K510 IonicContact OE1-NZ 3.05Å; E507-K510 PolarHBondContact OE1-NZ 2.96Å; E507-K510 WeakPolarHBondContact OE2-CD 3.42Å; E507-K510 IonicContact OE2-NZ 3.63Å; E507-K510 PolarHBondContact OE2-NZ 3.48Å; E507-K510 VanDerWaalsContact OE2-NZ 3.1Å; K510-N513 PolarHBondContact O-N 3.06Å; K510-T514 PolarHBondContact O-N 2.66Å
511L89.3Confident87.7Confident104 Ų10496.4 Ų96.455%0.54550%0.501SS..Hα-helixtrans-62.8-46.9177.9-171.270000111E507 N508 N513 T514 E515E507-L511 PolarHBondContact O-N 3.38Å; N508-L511 WeakPolarHBondContact O-CB 3.5Å; N508-L511 PolarHBondContact O-N 2.91Å; L511-N513 VanDerWaalsContact C-N 3.26Å; L511-N513 PolarHBondContact O-N 2.79Å; L511-T514 PolarHBondContact O-N 3.5Å; L511-T514 VanDerWaalsContact O-N 3.09Å; L511-T514 PolarHBondContact O-OG1 3.04Å; L511-E515 PolarHBondContact O-N 3.3Å
512K90.4Very high87.9Confident73 Ų7398.9 Ų98.932%0.31751%0.508SS..Hα-helixtrans-59.7-33.7174.5172.9161.3150.6-89.30112.8N508 E509 L516N508-K512 WeakPolarHBondContact O-CB 3.42Å; N508-K512 PolarHBondContact O-N 3.45Å; E509-K512 WeakPolarHBondContact OE1-CD 3.4Å; E509-K512 IonicContact OE1-NZ 3.44Å; E509-K512 PolarHBondContact OE1-NZ 3.38Å; E509-K512 IonicContact OE2-NZ 2.67Å; E509-K512 PolarHBondContact OE2-NZ 2.93Å; K512-L516 HydrophobicContact CG-CD1 4.34Å; K512-L516 WeakPolarHBondContact O-CB 3.46Å; K512-L516 VanDerWaalsContact O-CG 3.31Å; K512-L516 WeakPolarHBondContact O-CG 3.5Å; K512-L516 PolarHBondContact O-N 3.28Å
513N83.6Confident87.7Confident100 Ų10098.4 Ų98.454%0.53551%0.506SS..Hα-helixtrans-70.9-36.5173.7-166.512.4000112.8E509 K510 L511 T517E509-N513 WeakPolarHBondContact O-CB 3.41Å; E509-N513 PolarHBondContact O-N 2.8Å; K510-N513 PolarHBondContact O-N 3.06Å; L511-N513 VanDerWaalsContact C-N 3.26Å; L511-N513 PolarHBondContact O-N 2.79Å; N513-T517 WeakPolarHBondContact O-CB 3.5Å; N513-T517 PolarHBondContact O-N 2.88Å; N513-T517 PolarHBondContact O-OG1 2.98Å
514T87.1Confident87.6Confident88 Ų8894.5 Ų94.554%0.5450%0.496SS..Hα-helixtrans-71-35.4173.360.30000112.1K510 L511 T517 S518K510-T514 PolarHBondContact O-N 2.66Å; L511-T514 PolarHBondContact O-N 3.5Å; L511-T514 VanDerWaalsContact O-N 3.09Å; L511-T514 PolarHBondContact O-OG1 3.04Å; T514-T517 PolarHBondContact O-N 3.15Å; T514-S518 PolarHBondContact O-N 3.4Å
515E90.2Very high87.6Confident113 Ų11394.9 Ų94.953%0.52849%0.494SS..Hα-helixtrans-60.7-50.6169.8-71.9-174.8153.500111.6L511 T517 S518 H519L511-E515 PolarHBondContact O-N 3.3Å; E515-T517 VanDerWaalsContact C-N 3.3Å; E515-T517 PolarHBondContact O-N 2.84Å; E515-S518 WeakPolarHBondContact O-CA 3.36Å; E515-S518 WeakPolarHBondContact O-CB 3.39Å; E515-S518 PolarHBondContact O-N 3.09Å; E515-S518 PolarHBondContact O-OG 3.07Å; E515-H519 PolarHBondContact O-CD2 3.46Å; E515-H519 PolarHBondContact O-N 3.05Å
516L87.9Confident87.6Confident95 Ų9593.5 Ų93.550%0.49749%0.488SS..Hα-helixtrans-57.2-42.4175.2-77.8167.8000112K512 S518 H519 C520K512-L516 HydrophobicContact CG-CD1 4.34Å; K512-L516 WeakPolarHBondContact O-CB 3.46Å; K512-L516 VanDerWaalsContact O-CG 3.31Å; K512-L516 WeakPolarHBondContact O-CG 3.5Å; K512-L516 PolarHBondContact O-N 3.28Å; L516-S518 VanDerWaalsContact C-N 3.31Å; L516-S518 PolarHBondContact O-N 3.36Å; L516-H519 WeakPolarHBondContact O-CB 3.43Å; L516-H519 PolarHBondContact O-N 3.03Å; L516-C520 PolarHBondContact O-N 3.16Å; L516-C520 PolarHBondContact O-SG 3.3Å; L516-C520 VanDerWaalsContact O-SG 3.38Å
517T86.1Confident87.5Confident70 Ų7093.5 Ų93.543%0.42949%0.488SS..Hα-helixtrans-59.9-40.7174.3-59.40000111.5N513 T514 E515 C520 N521N513-T517 WeakPolarHBondContact O-CB 3.5Å; N513-T517 PolarHBondContact O-N 2.88Å; N513-T517 PolarHBondContact O-OG1 2.98Å; T514-T517 PolarHBondContact O-N 3.15Å; E515-T517 VanDerWaalsContact C-N 3.3Å; E515-T517 PolarHBondContact O-N 2.84Å; T517-C520 PolarHBondContact O-N 2.9Å; T517-N521 VanDerWaalsContact O-CG 3.31Å; T517-N521 PolarHBondContact O-N 2.83Å; T517-N521 PolarHBondContact O-ND2 2.94Å
518S88.8Confident87.5Confident67 Ų6795.3 Ų95.347%0.46950%0.495SS..Hα-helixtrans-65.9-37.7175.483.60000112.6T514 E515 L516 N521 K522T514-S518 PolarHBondContact O-N 3.4Å; E515-S518 WeakPolarHBondContact O-CA 3.36Å; E515-S518 WeakPolarHBondContact O-CB 3.39Å; E515-S518 PolarHBondContact O-N 3.09Å; E515-S518 PolarHBondContact O-OG 3.07Å; L516-S518 VanDerWaalsContact C-N 3.31Å; L516-S518 PolarHBondContact O-N 3.36Å; S518-N521 PolarHBondContact O-N 3.32Å; S518-K522 WeakPolarHBondContact O-CB 3.49Å; S518-K522 PolarHBondContact O-N 3.26Å
519H89Confident87.5Confident118 Ų11896.2 Ų96.255%0.54650%0.496SS..Hα-helixtrans-65.4-44.3174.7-88.9-85.8000112.1E515 L516 N521 K522 L523E515-H519 PolarHBondContact O-CD2 3.46Å; E515-H519 PolarHBondContact O-N 3.05Å; L516-H519 WeakPolarHBondContact O-CB 3.43Å; L516-H519 PolarHBondContact O-N 3.03Å; H519-N521 PolarHBondContact O-N 3Å; H519-K522 PolarHBondContact O-N 2.94Å; H519-L523 WeakPolarHBondContact O-CG 3.48Å; H519-L523 PolarHBondContact O-N 3.35Å
520C83Confident87.6Confident82 Ų8296.1 Ų96.155%0.55450%0.497SS*.Hα-helixtrans-60.8-43.1174.5-69.40000112.1L516 T517 K522 L523 S524L516-C520 PolarHBondContact O-N 3.16Å; L516-C520 PolarHBondContact O-SG 3.3Å; L516-C520 VanDerWaalsContact O-SG 3.38Å; T517-C520 PolarHBondContact O-N 2.9Å; C520-K522 VanDerWaalsContact C-N 3.32Å; C520-K522 PolarHBondContact O-N 3.05Å; C520-L523 PolarHBondContact O-N 2.93Å; C520-S524 WeakPolarHBondContact O-CB 3.38Å; C520-S524 PolarHBondContact O-N 2.89Å
521N88Confident87.4Confident111 Ų11195.8 Ų95.859%0.59450%0.504SS*.Hα-helixtrans-63.1-37.9175.5-73.5-28.4000112.2T517 S518 H519 S524 L525T517-N521 VanDerWaalsContact O-CG 3.31Å; T517-N521 PolarHBondContact O-N 2.83Å; T517-N521 PolarHBondContact O-ND2 2.94Å; S518-N521 PolarHBondContact O-N 3.32Å; H519-N521 PolarHBondContact O-N 3Å; N521-S524 PolarHBondContact O-N 2.74Å; N521-L525 PolarHBondContact O-N 3.11Å
522K92.1Very high87.3Confident128 Ų12895.8 Ų95.856%0.55750%0.501SS*.Hα-helixtrans-66.9-47.6175.4-177.4174.1177.3174.90112.3S518 H519 C520 S524 L525 E526S518-K522 WeakPolarHBondContact O-CB 3.49Å; S518-K522 PolarHBondContact O-N 3.26Å; H519-K522 PolarHBondContact O-N 2.94Å; C520-K522 VanDerWaalsContact C-N 3.32Å; C520-K522 PolarHBondContact O-N 3.05Å; K522-S524 PolarHBondContact O-N 3.32Å; K522-L525 WeakPolarHBondContact O-CA 3.27Å; K522-L525 WeakPolarHBondContact O-CB 3.42Å; K522-L525 PolarHBondContact O-N 2.85Å; K522-E526 PolarHBondContact O-N 3.37Å
523L85.3Confident87.2Confident94 Ų9497.6 Ų97.649%0.49251%0.511SS..Hα-helixtrans-61.5-32.8176.1-70.3168.7000111.9H519 C520 L525 N527H519-L523 WeakPolarHBondContact O-CG 3.48Å; H519-L523 PolarHBondContact O-N 3.35Å; C520-L523 PolarHBondContact O-N 2.93Å; L523-L525 PolarHBondContact O-N 3.15Å; L523-N527 VanDerWaalsContact O-CB 3.31Å; L523-N527 WeakPolarHBondContact O-CB 3.35Å; L523-N527 PolarHBondContact O-N 2.91Å
524S86.2Confident87.2Confident55 Ų5597 Ų9739%0.38551%0.511SS..Hα-helixtrans-67.4-21.7172.3-1730000113.8C520 N521 K522 K528C520-S524 WeakPolarHBondContact O-CB 3.38Å; C520-S524 PolarHBondContact O-N 2.89Å; N521-S524 PolarHBondContact O-N 2.74Å; K522-S524 PolarHBondContact O-N 3.32Å; S524-K528 VanDerWaalsContact O-CD 3.27Å; S524-K528 WeakPolarHBondContact O-CD 3.41Å; S524-K528 VanDerWaalsContact O-CE 3.28Å; S524-K528 WeakPolarHBondContact O-CE 3.35Å; S524-K528 WeakPolarHBondContact O-CG 3.43Å
525L89.6Confident87.4Confident93 Ų9395.4 Ų95.449%0.48750%0.504SS..Hα-helixtrans-88.1-45.3174.6-170.5150.4000110.7N521 K522 L523 N527 K528 E529N521-L525 PolarHBondContact O-N 3.11Å; K522-L525 WeakPolarHBondContact O-CA 3.27Å; K522-L525 WeakPolarHBondContact O-CB 3.42Å; K522-L525 PolarHBondContact O-N 2.85Å; L523-L525 PolarHBondContact O-N 3.15Å; L525-N527 VanDerWaalsContact C-N 3.31Å; L525-N527 PolarHBondContact O-N 3.43Å; L525-K528 WeakPolarHBondContact O-CA 3.45Å; L525-K528 WeakPolarHBondContact O-CB 3.29Å; L525-K528 PolarHBondContact O-N 3.01Å; L525-E529 HydrophobicContact CD2-CG 4.21Å; L525-E529 WeakPolarHBondContact CD2-OE1 3.33Å; L525-E529 PolarHBondContact O-N 3.02Å
526E88.5Confident87.4Confident91 Ų9193.9 Ų93.943%0.42550%0.499SS..Hα-helixtrans-57.8-41174.9-166.6162.5-170.200111.4K522 K528 E529 L530K522-E526 PolarHBondContact O-N 3.37Å; E526-K528 VanDerWaalsContact C-N 3.31Å; E526-K528 PolarHBondContact O-N 3.1Å; E526-E529 PolarHBondContact O-N 2.85Å; E526-L530 WeakPolarHBondContact O-CG 3.45Å; E526-L530 PolarHBondContact O-N 3.22Å
527N84.4Confident87.4Confident101 Ų10194.6 Ų94.654%0.5450%0.501SS..Hα-helixtrans-62.9-31.1171.4-79.9-14.8000113.8L523 L525 T531L523-N527 VanDerWaalsContact O-CB 3.31Å; L523-N527 WeakPolarHBondContact O-CB 3.35Å; L523-N527 PolarHBondContact O-N 2.91Å; L525-N527 VanDerWaalsContact C-N 3.31Å; L525-N527 PolarHBondContact O-N 3.43Å; N527-T531 WeakPolarHBondContact O-CG2 3.38Å; N527-T531 PolarHBondContact O-N 2.86Å; N527-T531 PolarHBondContact O-OG1 2.94Å
528K88Confident87.5Confident129 Ų12995.3 Ų95.356%0.56151%0.505SS*.Hα-helixtrans-73.9-41.4177-71.8163.9-171.4154.10111S524 L525 E526 T531 Q532S524-K528 VanDerWaalsContact O-CD 3.27Å; S524-K528 WeakPolarHBondContact O-CD 3.41Å; S524-K528 VanDerWaalsContact O-CE 3.28Å; S524-K528 WeakPolarHBondContact O-CE 3.35Å; S524-K528 WeakPolarHBondContact O-CG 3.43Å; L525-K528 WeakPolarHBondContact O-CA 3.45Å; L525-K528 WeakPolarHBondContact O-CB 3.29Å; L525-K528 PolarHBondContact O-N 3.01Å; E526-K528 VanDerWaalsContact C-N 3.31Å; E526-K528 PolarHBondContact O-N 3.1Å; K528-T531 WeakPolarHBondContact CA-OG1 3.42Å; K528-T531 PolarHBondContact O-N 2.9Å; K528-T531 PolarHBondContact O-OG1 3.02Å; K528-Q532 PolarHBondContact O-N 3.45Å
529E89.2Confident87.5Confident120 Ų12096.8 Ų96.856%0.56151%0.507SS*.Hα-helixtrans-59.8-46.4173.8-67.6175.6156.100110.3L525 E526 T531 Q532 E533L525-E529 HydrophobicContact CD2-CG 4.21Å; L525-E529 WeakPolarHBondContact CD2-OE1 3.33Å; L525-E529 PolarHBondContact O-N 3.02Å; E526-E529 PolarHBondContact O-N 2.85Å; E529-T531 PolarHBondContact O-N 3.37Å; E529-Q532 WeakPolarHBondContact O-CB 3.27Å; E529-Q532 PolarHBondContact O-N 3.42Å; E529-Q532 VanDerWaalsContact O-N 3.11Å; E529-E533 PolarHBondContact O-N 3.1Å
530L86.8Confident87.5Confident85 Ų8596.8 Ų96.845%0.44551%0.508SS..Hα-helixtrans-61.2-38.9174-71.9170.3000113.5E526 Q532 T534E526-L530 WeakPolarHBondContact O-CG 3.45Å; E526-L530 PolarHBondContact O-N 3.22Å; L530-Q532 VanDerWaalsContact C-N 3.31Å; L530-Q532 PolarHBondContact O-N 3.42Å; L530-T534 WeakPolarHBondContact O-CB 3.45Å; L530-T534 PolarHBondContact O-N 3.38Å; L530-T534 PolarHBondContact O-OG1 2.92Å
531T81.3Confident87.7Confident95 Ų9597.7 Ų97.758%0.58351%0.506SS*.Hα-helixtrans-67.6-31.4174.351.60000113N527 K528 E529 S535N527-T531 WeakPolarHBondContact O-CG2 3.38Å; N527-T531 PolarHBondContact O-N 2.86Å; N527-T531 PolarHBondContact O-OG1 2.94Å; K528-T531 WeakPolarHBondContact CA-OG1 3.42Å; K528-T531 PolarHBondContact O-N 2.9Å; K528-T531 PolarHBondContact O-OG1 3.02Å; E529-T531 PolarHBondContact O-N 3.37Å; T531-S535 PolarHBondContact O-N 3.47Å
532Q87.9Confident87.7Confident103 Ų10399.2 Ų99.248%0.48151%0.508SS..Hα-helixtrans-70.4-51.3174.7-177.355.954.500110.4K528 E529 L530 T534 S535 D536K528-Q532 PolarHBondContact O-N 3.45Å; E529-Q532 WeakPolarHBondContact O-CB 3.27Å; E529-Q532 PolarHBondContact O-N 3.42Å; E529-Q532 VanDerWaalsContact O-N 3.11Å; L530-Q532 VanDerWaalsContact C-N 3.31Å; L530-Q532 PolarHBondContact O-N 3.42Å; Q532-T534 VanDerWaalsContact C-N 3.29Å; Q532-T534 PolarHBondContact O-N 3.31Å; Q532-S535 PolarHBondContact NE2-OG 3.47Å; Q532-S535 WeakPolarHBondContact O-CA 3.32Å; Q532-S535 WeakPolarHBondContact O-CB 3.37Å; Q532-S535 PolarHBondContact O-N 2.89Å; Q532-S535 PolarHBondContact O-OG 2.82Å; Q532-D536 PolarHBondContact NE2-OD1 3.33Å; Q532-D536 PolarHBondContact NE2-OD2 3.33Å; Q532-D536 PolarHBondContact O-N 2.94Å
533E88.9Confident87.6Confident112 Ų11297 Ų9752%0.52350%0.502SS..Hα-helixtrans-56.6-40.6176.5-175.7175.3-157.600112.1E529 S535 D536 M537E529-E533 PolarHBondContact O-N 3.1Å; E533-S535 VanDerWaalsContact C-N 3.31Å; E533-S535 PolarHBondContact O-N 3.39Å; E533-D536 PolarHBondContact O-N 2.92Å; E533-M537 VanDerWaalsContact O-CB 3.29Å; E533-M537 WeakPolarHBondContact O-CB 3.28Å; E533-M537 PolarHBondContact O-N 2.94Å
534T84.1Confident87.7Confident87 Ų8797.2 Ų97.253%0.53450%0.501SS..Hα-helixtrans-61.4-38.9173.2-570000111.9L530 Q532 T538L530-T534 WeakPolarHBondContact O-CB 3.45Å; L530-T534 PolarHBondContact O-N 3.38Å; L530-T534 PolarHBondContact O-OG1 2.92Å; Q532-T534 VanDerWaalsContact C-N 3.29Å; Q532-T534 PolarHBondContact O-N 3.31Å; T534-T538 WeakPolarHBondContact O-CB 3.3Å; T534-T538 PolarHBondContact O-N 3Å; T534-T538 PolarHBondContact O-OG1 3.13Å
535S89.9Confident87.7Confident55 Ų5599.4 Ų99.439%0.38551%0.505SS..Hα-helixtrans-71.7-36.9178.279.90000112.7T531 Q532 E533 T538 L539T531-S535 PolarHBondContact O-N 3.47Å; Q532-S535 PolarHBondContact NE2-OG 3.47Å; Q532-S535 WeakPolarHBondContact O-CA 3.32Å; Q532-S535 WeakPolarHBondContact O-CB 3.37Å; Q532-S535 PolarHBondContact O-N 2.89Å; Q532-S535 PolarHBondContact O-OG 2.82Å; E533-S535 VanDerWaalsContact C-N 3.31Å; E533-S535 PolarHBondContact O-N 3.39Å; S535-T538 WeakPolarHBondContact O-CB 3.47Å; S535-T538 PolarHBondContact O-N 3.37Å; S535-L539 PolarHBondContact O-N 2.87Å
536D90.2Very high87.6Confident81 Ų81100.5 Ų100.543%0.43351%0.508SS..Hα-helixtrans-70.7-42.2177.3-64.2-38.9000110.9Q532 E533 T538 L539 E540Q532-D536 PolarHBondContact NE2-OD1 3.33Å; Q532-D536 PolarHBondContact NE2-OD2 3.33Å; Q532-D536 PolarHBondContact O-N 2.94Å; E533-D536 PolarHBondContact O-N 2.92Å; D536-T538 VanDerWaalsContact C-N 3.32Å; D536-T538 PolarHBondContact O-N 3.49Å; D536-L539 WeakPolarHBondContact O-CB 3.44Å; D536-L539 PolarHBondContact O-N 3.13Å; D536-L539 VanDerWaalsContact O-N 3.13Å; D536-E540 PolarHBondContact O-N 2.92Å
537M89Confident87.6Confident109 Ų109100.8 Ų100.854%0.53751%0.512SS..Hα-helixtrans-63-36.7172.3-169.9-176.9-60.500112.1E533 L539 E540 L541E533-M537 VanDerWaalsContact O-CB 3.29Å; E533-M537 WeakPolarHBondContact O-CB 3.28Å; E533-M537 PolarHBondContact O-N 2.94Å; M537-L539 VanDerWaalsContact C-N 3.32Å; M537-L539 PolarHBondContact O-N 3.43Å; M537-E540 PolarHBondContact O-N 3.42Å; M537-L541 HydrophobicContact CG-CD1 4.49Å; M537-L541 WeakPolarHBondContact O-CB 3.43Å; M537-L541 WeakPolarHBondContact O-CG 3.11Å; M537-L541 PolarHBondContact O-N 3.3Å
538T86.7Confident87.8Confident85 Ų85100.7 Ų100.752%0.52151%0.511SS..Hα-helixtrans-64.7-36.3173.5-59.90000111.7T534 S535 D536 K542T534-T538 WeakPolarHBondContact O-CB 3.3Å; T534-T538 PolarHBondContact O-N 3Å; T534-T538 PolarHBondContact O-OG1 3.13Å; S535-T538 WeakPolarHBondContact O-CB 3.47Å; S535-T538 PolarHBondContact O-N 3.37Å; D536-T538 VanDerWaalsContact C-N 3.32Å; D536-T538 PolarHBondContact O-N 3.49Å; T538-K542 WeakPolarHBondContact O-CB 3.28Å; T538-K542 PolarHBondContact O-N 2.89Å
539L90.1Very high88Confident98 Ų9898.2 Ų98.251%0.51350%0.503SS..Hα-helixtrans-68.4-41.9174.1-177.964000111.6S535 D536 M537 K542 N543S535-L539 PolarHBondContact O-N 2.87Å; D536-L539 WeakPolarHBondContact O-CB 3.44Å; D536-L539 PolarHBondContact O-N 3.13Å; D536-L539 VanDerWaalsContact O-N 3.13Å; M537-L539 VanDerWaalsContact C-N 3.32Å; M537-L539 PolarHBondContact O-N 3.43Å; L539-K542 WeakPolarHBondContact O-CB 3.41Å; L539-K542 PolarHBondContact O-N 3.34Å; L539-N543 VanDerWaalsContact O-CG 3.3Å; L539-N543 PolarHBondContact O-N 2.7Å; L539-N543 PolarHBondContact O-ND2 2.93Å; L539-N543 PolarHBondContact O-OD1 3.49Å
540E88.6Confident88.1Confident118 Ų11895.4 Ų95.455%0.55149%0.492SS*.Hα-helixtrans-68.1-42178.9-172.3160.4-157.900112.5D536 M537 K542 N543 Q544D536-E540 PolarHBondContact O-N 2.92Å; M537-E540 PolarHBondContact O-N 3.42Å; E540-K542 PolarHBondContact O-N 2.72Å; E540-N543 WeakPolarHBondContact O-CB 3.49Å; E540-N543 PolarHBondContact O-N 2.91Å; E540-N543 VanDerWaalsContact O-N 3.13Å; E540-Q544 WeakPolarHBondContact O-CG 3.38Å; E540-Q544 PolarHBondContact O-N 2.89Å
541L87.1Confident88.2Confident101 Ų10196.2 Ų96.253%0.52950%0.497SS..Hα-helixtrans-57.8-37.9171-75170.5000112.1M537 Q544 Q545M537-L541 HydrophobicContact CG-CD1 4.49Å; M537-L541 WeakPolarHBondContact O-CB 3.43Å; M537-L541 WeakPolarHBondContact O-CG 3.11Å; M537-L541 PolarHBondContact O-N 3.3Å; L541-Q544 PolarHBondContact O-N 3.11Å; L541-Q545 WeakPolarHBondContact O-CB 3.38Å; L541-Q545 PolarHBondContact O-N 3.42Å
542K88.9Confident88.6Confident143 Ų14398.3 Ų98.362%0.62250%0.498SS*.Hα-helixtrans-66-40.2175.9-173.6-176.4175.6-171.70112.1T538 L539 E540 Q545 E546T538-K542 WeakPolarHBondContact O-CB 3.28Å; T538-K542 PolarHBondContact O-N 2.89Å; L539-K542 WeakPolarHBondContact O-CB 3.41Å; L539-K542 PolarHBondContact O-N 3.34Å; E540-K542 PolarHBondContact O-N 2.72Å; K542-Q545 PolarHBondContact O-N 3.26Å; K542-E546 PolarHBondContact O-N 3.04Å
543N89.2Confident88.6Confident83 Ų8398.4 Ų98.444%0.44450%0.497SS..Hα-helixtrans-64-47.5175.2-62.8-21000110.8L539 E540 Q545 E546 D547L539-N543 VanDerWaalsContact O-CG 3.3Å; L539-N543 PolarHBondContact O-N 2.7Å; L539-N543 PolarHBondContact O-ND2 2.93Å; L539-N543 PolarHBondContact O-OD1 3.49Å; E540-N543 WeakPolarHBondContact O-CB 3.49Å; E540-N543 PolarHBondContact O-N 2.91Å; E540-N543 VanDerWaalsContact O-N 3.13Å; N543-Q545 VanDerWaalsContact C-N 3.28Å; N543-Q545 PolarHBondContact O-N 3.2Å; N543-E546 WeakPolarHBondContact O-CA 3.41Å; N543-E546 WeakPolarHBondContact O-CB 3.41Å; N543-E546 PolarHBondContact O-N 2.71Å; N543-D547 PolarHBondContact O-N 2.78Å
544Q86.8Confident88.4Confident98 Ų9897.9 Ų97.946%0.45849%0.494SS..Hα-helixtrans-59-38.6175.8-67.917714.700112E540 L541 E546 D547 I548E540-Q544 WeakPolarHBondContact O-CG 3.38Å; E540-Q544 PolarHBondContact O-N 2.89Å; L541-Q544 PolarHBondContact O-N 3.11Å; Q544-E546 VanDerWaalsContact C-N 3.33Å; Q544-E546 PolarHBondContact O-N 2.99Å; Q544-D547 PolarHBondContact O-N 3.03Å; Q544-I548 WeakPolarHBondContact O-CB 3.44Å; Q544-I548 VanDerWaalsContact O-CG1 3.27Å; Q544-I548 WeakPolarHBondContact O-CG1 3.45Å; Q544-I548 PolarHBondContact O-N 2.98Å
545Q86.1Confident88.3Confident101 Ų10199 Ų9947%0.47249%0.493SS..Hα-helixtrans-66.1-32.7174.9-176.858.490.400112.6L541 K542 N543 N549L541-Q545 WeakPolarHBondContact O-CB 3.38Å; L541-Q545 PolarHBondContact O-N 3.42Å; K542-Q545 PolarHBondContact O-N 3.26Å; N543-Q545 VanDerWaalsContact C-N 3.28Å; N543-Q545 PolarHBondContact O-N 3.2Å; Q545-N549 PolarHBondContact NE2-ND2 3.39Å; Q545-N549 WeakPolarHBondContact O-CB 3.5Å; Q545-N549 VanDerWaalsContact O-CG 3.32Å; Q545-N549 PolarHBondContact O-N 3.48Å; Q545-N549 VanDerWaalsContact O-N 3.15Å; Q545-N549 PolarHBondContact O-ND2 3.37Å
546E87.5Confident88.1Confident116 Ų116101.1 Ų101.154%0.54250%0.497SS..Hα-helixtrans-71.6-40.4172.8-173.7154.6-167.600111.9K542 N543 Q544 N549 N550K542-E546 PolarHBondContact O-N 3.04Å; N543-E546 WeakPolarHBondContact O-CA 3.41Å; N543-E546 WeakPolarHBondContact O-CB 3.41Å; N543-E546 PolarHBondContact O-N 2.71Å; Q544-E546 VanDerWaalsContact C-N 3.33Å; Q544-E546 PolarHBondContact O-N 2.99Å; E546-N549 CarbonylContact O-C 3.57Å; E546-N549 WeakPolarHBondContact O-CB 3.41Å; E546-N549 PolarHBondContact O-N 2.9Å; E546-N550 VanDerWaalsContact O-CG 3.28Å; E546-N550 PolarHBondContact O-N 2.94Å; E546-N550 PolarHBondContact O-ND2 2.86Å
547D89.1Confident88.1Confident97 Ų97104.2 Ų104.252%0.51950%0.503SS..Hα-helixtrans-63.4-42.8173.6-76.5-28.5000112.6N543 Q544 N549 N550 N551N543-D547 PolarHBondContact O-N 2.78Å; Q544-D547 PolarHBondContact O-N 3.03Å; D547-N549 VanDerWaalsContact C-N 3.29Å; D547-N549 PolarHBondContact O-N 3.34Å; D547-N550 PolarHBondContact O-N 3.27Å; D547-N550 VanDerWaalsContact O-N 3.1Å; D547-N551 WeakPolarHBondContact O-CB 3.39Å; D547-N551 PolarHBondContact O-N 2.91Å; D547-N551 PolarHBondContact O-ND2 3.2Å
548I89.4Confident87.9Confident99 Ų99103.3 Ų103.351%0.50850%0.498SS..Hα-helixtrans-57.5-43.8172-71.6164.4000110.6Q544 N550 N551 K552Q544-I548 WeakPolarHBondContact O-CB 3.44Å; Q544-I548 VanDerWaalsContact O-CG1 3.27Å; Q544-I548 WeakPolarHBondContact O-CG1 3.45Å; Q544-I548 PolarHBondContact O-N 2.98Å; I548-N550 VanDerWaalsContact C-N 3.31Å; I548-N550 PolarHBondContact O-N 3.23Å; I548-N551 PolarHBondContact O-N 3.34Å; I548-K552 WeakPolarHBondContact O-CB 3.23Å; I548-K552 PolarHBondContact O-N 3.4Å
549N91.1Very high87.9Confident77 Ų77104.1 Ų104.141%0.41250%0.499SS..Hα-helixtrans-66.3-31176.7-78.8-44.1000112.8Q545 E546 D547 K553Q545-N549 PolarHBondContact NE2-ND2 3.39Å; Q545-N549 WeakPolarHBondContact O-CB 3.5Å; Q545-N549 VanDerWaalsContact O-CG 3.32Å; Q545-N549 PolarHBondContact O-N 3.48Å; Q545-N549 VanDerWaalsContact O-N 3.15Å; Q545-N549 PolarHBondContact O-ND2 3.37Å; E546-N549 CarbonylContact O-C 3.57Å; E546-N549 WeakPolarHBondContact O-CB 3.41Å; E546-N549 PolarHBondContact O-N 2.9Å; D547-N549 VanDerWaalsContact C-N 3.29Å; D547-N549 PolarHBondContact O-N 3.34Å; N549-K553 WeakPolarHBondContact O-CD 3.48Å; N549-K553 WeakPolarHBondContact O-CE 3.42Å; N549-K553 VanDerWaalsContact O-CG 3.23Å; N549-K553 WeakPolarHBondContact O-CG 3.49Å; N549-K553 PolarHBondContact O-N 3.09Å
550N92.1Very high87.7Confident61 Ų61104.3 Ų104.333%0.32650%0.496SS..Hα-helixtrans-77.9-39.1176.7-69.6-30.9000112.2E546 D547 I548 K553 Q554E546-N550 VanDerWaalsContact O-CG 3.28Å; E546-N550 PolarHBondContact O-N 2.94Å; E546-N550 PolarHBondContact O-ND2 2.86Å; D547-N550 PolarHBondContact O-N 3.27Å; D547-N550 VanDerWaalsContact O-N 3.1Å; I548-N550 VanDerWaalsContact C-N 3.31Å; I548-N550 PolarHBondContact O-N 3.23Å; N550-K553 PolarHBondContact O-N 2.97Å; N550-K553 PolarHBondContact OD1-NZ 3.01Å; N550-Q554 PolarHBondContact O-N 3.05Å
551N89.1Confident87.4Confident102 Ų102104.8 Ų104.855%0.54550%0.498SS..Hα-helixtrans-61.8-44.5171.9-72.8-29.5000111.4D547 I548 K553 Q554 E555D547-N551 WeakPolarHBondContact O-CB 3.39Å; D547-N551 PolarHBondContact O-N 2.91Å; D547-N551 PolarHBondContact O-ND2 3.2Å; I548-N551 PolarHBondContact O-N 3.34Å; N551-K553 VanDerWaalsContact C-N 3.33Å; N551-K553 PolarHBondContact O-N 3.4Å; N551-Q554 CarbonylContact O-C 3.57Å; N551-Q554 WeakPolarHBondContact O-CA 3.47Å; N551-Q554 WeakPolarHBondContact O-CB 3.36Å; N551-Q554 PolarHBondContact O-N 2.93Å; N551-E555 PolarHBondContact O-N 2.95Å
552K88.1Confident87.2Confident138 Ų138104 Ų10460%0.649%0.493SS*.Hα-helixtrans-60.4-39.1175.8-169.6169.4-175.3170.90112.8I548 Q554 E555 E556I548-K552 WeakPolarHBondContact O-CB 3.23Å; I548-K552 PolarHBondContact O-N 3.4Å; K552-Q554 PolarHBondContact O-N 2.67Å; K552-E555 PolarHBondContact O-N 2.73Å; K552-E556 PolarHBondContact O-N 3.36Å
553K88.5Confident87Confident106 Ų106102.7 Ų102.746%0.46149%0.49SS..Hα-helixtrans-66.3-19.7171.7-67.3164.7-158.3160.30113.2N549 N550 N551 R557N549-K553 WeakPolarHBondContact O-CD 3.48Å; N549-K553 WeakPolarHBondContact O-CE 3.42Å; N549-K553 VanDerWaalsContact O-CG 3.23Å; N549-K553 WeakPolarHBondContact O-CG 3.49Å; N549-K553 PolarHBondContact O-N 3.09Å; N550-K553 PolarHBondContact O-N 2.97Å; N550-K553 PolarHBondContact OD1-NZ 3.01Å; N551-K553 VanDerWaalsContact C-N 3.33Å; N551-K553 PolarHBondContact O-N 3.4Å; K553-R557 PolarHBondContact O-NE 3.25Å; K553-R557 PolarHBondContact O-NH2 3.5Å; K553-R557 VanDerWaalsContact O-NH2 3.14Å
554Q85.6Confident86.8Confident101 Ų101103.7 Ų103.747%0.47250%0.495SS..Hα-helixtrans-88.8-40.6175.5176.3170.8-36.800111N550 N551 K552 E556 R557 M558N550-Q554 PolarHBondContact O-N 3.05Å; N551-Q554 CarbonylContact O-C 3.57Å; N551-Q554 WeakPolarHBondContact O-CA 3.47Å; N551-Q554 WeakPolarHBondContact O-CB 3.36Å; N551-Q554 PolarHBondContact O-N 2.93Å; K552-Q554 PolarHBondContact O-N 2.67Å; Q554-E556 VanDerWaalsContact C-N 3.34Å; Q554-E556 PolarHBondContact O-N 3.32Å; Q554-R557 WeakPolarHBondContact O-CB 3.49Å; Q554-R557 PolarHBondContact O-N 3.17Å; Q554-R557 VanDerWaalsContact O-N 3.08Å; Q554-M558 HydrophobicContact CG-CE 4.5Å; Q554-M558 WeakPolarHBondContact O-CG 3.34Å; Q554-M558 PolarHBondContact O-N 3.08Å
555E81.7Confident86.7Confident109 Ų109104.4 Ų104.451%0.50950%0.501SS..Hα-helixtrans-54.8-47.2170.3-175178.8-157.800111.6N551 K552 R557 M558 L559N551-E555 PolarHBondContact O-N 2.95Å; K552-E555 PolarHBondContact O-N 2.73Å; E555-R557 PolarHBondContact O-N 2.73Å; E555-M558 PolarHBondContact O-N 2.75Å; E555-L559 HydrophobicContact CG-CD1 4.28Å; E555-L559 PolarHBondContact O-N 3.31Å
556E86.2Confident86.5Confident100 Ų100105.1 Ų105.147%0.46750%0.504SS..Hα-helixtrans-59.7-31.4175.7-161.1-158.8133.900113.1K552 Q554 K560K552-E556 PolarHBondContact O-N 3.36Å; Q554-E556 VanDerWaalsContact C-N 3.34Å; Q554-E556 PolarHBondContact O-N 3.32Å; E556-K560 WeakPolarHBondContact O-CG 3.42Å; E556-K560 PolarHBondContact O-N 3.19Å; E556-K560 IonicContact OE1-NZ 3Å; E556-K560 PolarHBondContact OE1-NZ 3.14Å
557R89.6Confident86.3Confident147 Ų147105 Ų10556%0.55550%0.504SS*.Hα-helixtrans-72.8-37.7173.8-79.7174.5-95.7160.4-3.1111.9K553 Q554 E555 Q561K553-R557 PolarHBondContact O-NE 3.25Å; K553-R557 PolarHBondContact O-NH2 3.5Å; K553-R557 VanDerWaalsContact O-NH2 3.14Å; Q554-R557 WeakPolarHBondContact O-CB 3.49Å; Q554-R557 PolarHBondContact O-N 3.17Å; Q554-R557 VanDerWaalsContact O-N 3.08Å; E555-R557 PolarHBondContact O-N 2.73Å; R557-Q561 WeakPolarHBondContact O-CG 3.38Å; R557-Q561 PolarHBondContact O-N 3.32Å
558M83.8Confident85.9Confident89 Ų89103.4 Ų103.444%0.43850%0.498SS..Hα-helixtrans-71.8-39.8176.9-64.9-173.5-59.300111.6Q554 E555 K560 Q561 I562Q554-M558 HydrophobicContact CG-CE 4.5Å; Q554-M558 WeakPolarHBondContact O-CG 3.34Å; Q554-M558 PolarHBondContact O-N 3.08Å; E555-M558 PolarHBondContact O-N 2.75Å; M558-K560 VanDerWaalsContact C-N 3.34Å; M558-K560 PolarHBondContact O-N 3.46Å; M558-Q561 CarbonylContact O-C 3.58Å; M558-Q561 WeakPolarHBondContact O-CA 2.96Å; M558-Q561 WeakPolarHBondContact O-CB 3.38Å; M558-Q561 PolarHBondContact O-N 3.03Å; M558-I562 WeakPolarHBondContact O-CG1 3.2Å; M558-I562 PolarHBondContact O-N 2.9Å
559L87.6Confident85.6Confident102 Ų102103 Ų10353%0.53449%0.494SS..Hα-helixtrans-57.7-45.5173.1-75.8167.6000111.6E555 Q561 I562 E563E555-L559 HydrophobicContact CG-CD1 4.28Å; E555-L559 PolarHBondContact O-N 3.31Å; L559-Q561 VanDerWaalsContact C-N 3.25Å; L559-Q561 PolarHBondContact O-N 3.3Å; L559-I562 PolarHBondContact O-N 3.15Å; L559-I562 VanDerWaalsContact O-N 3.1Å; L559-E563 WeakPolarHBondContact O-CB 3.18Å; L559-E563 PolarHBondContact O-N 2.9Å
560K84.8Confident85Confident103 Ų103102.9 Ų102.945%0.44850%0.496SS..Hα-helixtrans-64-27.8174.1-74.4167.9178.1170.80113.1E556 M558 N564E556-K560 WeakPolarHBondContact O-CG 3.42Å; E556-K560 PolarHBondContact O-N 3.19Å; E556-K560 IonicContact OE1-NZ 3Å; E556-K560 PolarHBondContact OE1-NZ 3.14Å; M558-K560 VanDerWaalsContact C-N 3.34Å; M558-K560 PolarHBondContact O-N 3.46Å; K560-N564 PolarHBondContact O-N 3.2Å; K560-N564 PolarHBondContact O-ND2 3.34Å
561Q84Confident84.5Confident128 Ų128105.3 Ų105.360%0.59851%0.505SS*.Hα-helixtrans-74.4-35.9171.9-73.1173.1-19.900112.1R557 M558 L559 L565R557-Q561 WeakPolarHBondContact O-CG 3.38Å; R557-Q561 PolarHBondContact O-N 3.32Å; M558-Q561 CarbonylContact O-C 3.58Å; M558-Q561 WeakPolarHBondContact O-CA 2.96Å; M558-Q561 WeakPolarHBondContact O-CB 3.38Å; M558-Q561 PolarHBondContact O-N 3.03Å; L559-Q561 VanDerWaalsContact C-N 3.25Å; L559-Q561 PolarHBondContact O-N 3.3Å; Q561-L565 VanDerWaalsContact O-CG 3.3Å; Q561-L565 WeakPolarHBondContact O-CG 3.41Å; Q561-L565 PolarHBondContact O-N 2.95Å; Q561-L565 VanDerWaalsContact O-N 3.15Å
562I81.2Confident84.3Confident83 Ų83105.1 Ų105.143%0.42650%0.504SS..Hα-helixtrans-67.4-45.9175.4-66.4163.3000110.6M558 L559 N564 L565 E566M558-I562 WeakPolarHBondContact O-CG1 3.2Å; M558-I562 PolarHBondContact O-N 2.9Å; L559-I562 PolarHBondContact O-N 3.15Å; L559-I562 VanDerWaalsContact O-N 3.1Å; I562-N564 VanDerWaalsContact C-N 3.35Å; I562-N564 PolarHBondContact O-N 3.19Å; I562-L565 CarbonylContact O-C 3.59Å; I562-L565 WeakPolarHBondContact O-CA 3.34Å; I562-L565 WeakPolarHBondContact O-CB 3.33Å; I562-L565 PolarHBondContact O-N 3.02Å; I562-E566 HydrophobicContact CG2-CG 4.3Å; I562-E566 PolarHBondContact O-N 3.47Å
563E85.4Confident84Confident117 Ų117105.7 Ų105.755%0.54750%0.502SS..Hα-helixtrans-53.9-48175.6-176.5176.5-14400111.8L559 L565 E566 E567L559-E563 WeakPolarHBondContact O-CB 3.18Å; L559-E563 PolarHBondContact O-N 2.9Å; E563-L565 VanDerWaalsContact C-N 3.3Å; E563-L565 PolarHBondContact O-N 3.32Å; E563-E566 PolarHBondContact O-N 2.9Å; E563-E567 PolarHBondContact O-N 3.07Å
564N85.3Confident83.7Confident103 Ų103106.2 Ų106.255%0.55151%0.51SS*.Hα-helixtrans-62.1-33173.8-80.6-80.9000113.1K560 I562 T568K560-N564 PolarHBondContact O-N 3.2Å; K560-N564 PolarHBondContact O-ND2 3.34Å; I562-N564 VanDerWaalsContact C-N 3.35Å; I562-N564 PolarHBondContact O-N 3.19Å; N564-T568 PolarHBondContact O-N 3.47Å
565L85.1Confident83.7Confident114 Ų114107.2 Ų107.260%0.59752%0.515SS*.Hα-helixtrans-75.1-37.7177.4-73.7168.1000112.1Q561 I562 E563 E567 T568 E569Q561-L565 VanDerWaalsContact O-CG 3.3Å; Q561-L565 WeakPolarHBondContact O-CG 3.41Å; Q561-L565 PolarHBondContact O-N 2.95Å; Q561-L565 VanDerWaalsContact O-N 3.15Å; I562-L565 CarbonylContact O-C 3.59Å; I562-L565 WeakPolarHBondContact O-CA 3.34Å; I562-L565 WeakPolarHBondContact O-CB 3.33Å; I562-L565 PolarHBondContact O-N 3.02Å; E563-L565 VanDerWaalsContact C-N 3.3Å; E563-L565 PolarHBondContact O-N 3.32Å; L565-E567 VanDerWaalsContact C-N 3.33Å; L565-T568 CarbonylContact O-C 3.59Å; L565-T568 PolarHBondContact O-N 3.26Å; L565-T568 VanDerWaalsContact O-N 3.11Å; L565-T568 PolarHBondContact O-OG1 3.18Å; L565-E569 PolarHBondContact O-N 3.03Å
566E80.9Confident83.7Confident115 Ų115107.9 Ų107.954%0.53752%0.521SS..Hα-helixtrans-64.7-36.1173.5-69.9179.5176.800111.4I562 E563 E569 T570I562-E566 HydrophobicContact CG2-CG 4.3Å; I562-E566 PolarHBondContact O-N 3.47Å; E563-E566 PolarHBondContact O-N 2.9Å; E566-E569 PolarHBondContact O-N 2.99Å; E566-T570 WeakPolarHBondContact O-CG2 3.5Å; E566-T570 PolarHBondContact O-N 2.96Å; E566-T570 PolarHBondContact O-OG1 3.38Å
567E83.9Confident83.6Confident113 Ų113107.2 Ų107.253%0.52852%0.518SS..Hα-helixtrans-61.1-41.4168.7-72.8-162.1161.100112.2E563 L565 T570 Q571E563-E567 PolarHBondContact O-N 3.07Å; L565-E567 VanDerWaalsContact C-N 3.33Å; E567-T570 WeakPolarHBondContact CA-OG1 3.31Å; E567-T570 PolarHBondContact O-OG1 3.06Å; E567-Q571 VanDerWaalsContact O-CG 3.26Å; E567-Q571 WeakPolarHBondContact O-CG 3.33Å; E567-Q571 PolarHBondContact O-N 3.49Å; E567-Q571 VanDerWaalsContact O-N 3.16Å; E567-Q571 PolarHBondContact O-NE2 3.46Å
568T81.1Confident83.5Confident64 Ų64108.8 Ų108.839%0.39353%0.525SS..Hα-helixtrans-70.3-33.6174.363.50000113.1N564 L565 Q571 L572N564-T568 PolarHBondContact O-N 3.47Å; L565-T568 CarbonylContact O-C 3.59Å; L565-T568 PolarHBondContact O-N 3.26Å; L565-T568 VanDerWaalsContact O-N 3.11Å; L565-T568 PolarHBondContact O-OG1 3.18Å; T568-Q571 PolarHBondContact O-N 2.71Å; T568-L572 WeakPolarHBondContact O-CG 3.48Å; T568-L572 PolarHBondContact O-N 2.98Å
569E82.9Confident83.4Confident92 Ų92107.7 Ų107.743%0.4352%0.523SS..Hα-helixtrans-68.7-41.2177.6-162.7-164.7148.300111.1L565 E566 L572 R573L565-E569 PolarHBondContact O-N 3.03Å; E566-E569 PolarHBondContact O-N 2.99Å; E569-L572 PolarHBondContact O-N 3.27Å; E569-R573 WeakPolarHBondContact O-CB 3.39Å; E569-R573 VanDerWaalsContact O-CG 3.27Å; E569-R573 WeakPolarHBondContact O-CG 3.37Å; E569-R573 PolarHBondContact O-N 2.91Å; E569-R573 IonicContact OE1-CZ 2.77Å; E569-R573 IonicContact OE1-NE 3.74Å; E569-R573 PolarHBondContact OE1-NE 2.69Å; E569-R573 IonicContact OE1-NH2 3.53Å; E569-R573 PolarHBondContact OE1-NH2 2.92Å
570T78.9Confident83.1Confident74 Ų74110.1 Ų110.145%0.45453%0.525SS..Hα-helixtrans-66.7-36.1176.350.30000112.2E566 E567 R573 N574E566-T570 WeakPolarHBondContact O-CG2 3.5Å; E566-T570 PolarHBondContact O-N 2.96Å; E566-T570 PolarHBondContact O-OG1 3.38Å; E567-T570 WeakPolarHBondContact CA-OG1 3.31Å; E567-T570 PolarHBondContact O-OG1 3.06Å; T570-R573 PolarHBondContact O-N 3.36Å; T570-N574 VanDerWaalsContact O-CG 3.26Å; T570-N574 PolarHBondContact O-N 2.85Å; T570-N574 VanDerWaalsContact O-N 3.09Å; T570-N574 PolarHBondContact O-ND2 3.26Å
571Q81.3Confident83Confident112 Ų112109.2 Ų109.252%0.52352%0.523SS..Hα-helixtrans-60.2-51.5169.9-71167.639.200111.5E567 T568 R573 N574 E575E567-Q571 VanDerWaalsContact O-CG 3.26Å; E567-Q571 WeakPolarHBondContact O-CG 3.33Å; E567-Q571 PolarHBondContact O-N 3.49Å; E567-Q571 VanDerWaalsContact O-N 3.16Å; E567-Q571 PolarHBondContact O-NE2 3.46Å; T568-Q571 PolarHBondContact O-N 2.71Å; Q571-R573 VanDerWaalsContact C-N 3.31Å; Q571-R573 PolarHBondContact O-N 2.68Å; Q571-N574 WeakPolarHBondContact O-CB 3.48Å; Q571-N574 PolarHBondContact O-N 2.98Å; Q571-N574 VanDerWaalsContact O-N 3.12Å; Q571-E575 PolarHBondContact O-N 3.41Å; Q571-E575 VanDerWaalsContact O-N 3.07Å
572L84.5Confident82.9Confident97 Ų97108.1 Ų108.151%0.50852%0.518SS..Hα-helixtrans-62.4-34177.9-70.6169.2000113.2T568 E569 E575 L576T568-L572 WeakPolarHBondContact O-CG 3.48Å; T568-L572 PolarHBondContact O-N 2.98Å; E569-L572 PolarHBondContact O-N 3.27Å; L572-E575 PolarHBondContact O-N 3.46Å; L572-L576 WeakPolarHBondContact O-CB 3.43Å; L572-L576 WeakPolarHBondContact O-CG 3.33Å; L572-L576 PolarHBondContact O-N 3.37Å
573R81.6Confident82.8Confident150 Ų150109.7 Ų109.757%0.56653%0.526SS*.Hα-helixtrans-65.4-39.1173.6-77.2171176.5-100.24.3112.3E569 T570 Q571 L576 E577E569-R573 WeakPolarHBondContact O-CB 3.39Å; E569-R573 VanDerWaalsContact O-CG 3.27Å; E569-R573 WeakPolarHBondContact O-CG 3.37Å; E569-R573 PolarHBondContact O-N 2.91Å; E569-R573 IonicContact OE1-CZ 2.77Å; E569-R573 IonicContact OE1-NE 3.74Å; E569-R573 PolarHBondContact OE1-NE 2.69Å; E569-R573 IonicContact OE1-NH2 3.53Å; E569-R573 PolarHBondContact OE1-NH2 2.92Å; T570-R573 PolarHBondContact O-N 3.36Å; Q571-R573 VanDerWaalsContact C-N 3.31Å; Q571-R573 PolarHBondContact O-N 2.68Å; R573-L576 PolarHBondContact O-N 2.87Å; R573-E577 PolarHBondContact O-N 3.38Å
574N82.6Confident82.3Confident118 Ų118108.6 Ų108.663%0.63152%0.52SS*.Hα-helixtrans-67.1-39.6175.7-68.6-35.6000111.6T570 Q571 E577 Y578T570-N574 VanDerWaalsContact O-CG 3.26Å; T570-N574 PolarHBondContact O-N 2.85Å; T570-N574 VanDerWaalsContact O-N 3.09Å; T570-N574 PolarHBondContact O-ND2 3.26Å; Q571-N574 WeakPolarHBondContact O-CB 3.48Å; Q571-N574 PolarHBondContact O-N 2.98Å; Q571-N574 VanDerWaalsContact O-N 3.12Å; N574-E577 PolarHBondContact O-N 2.97Å; N574-Y578 PolarHBondContact O-N 3.06Å; N574-Y578 VanDerWaalsContact O-N 3.08Å
575E85.8Confident81.9Confident122 Ų122110.8 Ų110.857%0.5753%0.527SS*.Hα-helixtrans-63.5-43172.8-68.5-177.5179.500112.2Q571 L572 E577 Y578 V579Q571-E575 PolarHBondContact O-N 3.41Å; Q571-E575 VanDerWaalsContact O-N 3.07Å; L572-E575 PolarHBondContact O-N 3.46Å; E575-E577 VanDerWaalsContact C-N 3.34Å; E575-E577 PolarHBondContact O-N 2.85Å; E575-Y578 WeakPolarHBondContact O-CB 3.46Å; E575-Y578 PolarHBondContact O-N 3.29Å; E575-V579 WeakPolarHBondContact O-CG2 3.39Å; E575-V579 PolarHBondContact O-N 3.35Å
576L80.6Confident81.5Confident122 Ų122110.5 Ų110.564%0.63952%0.521SS*.Hα-helixtrans-63.4-36.4176.4-77.3170.2000113L572 R573 R580L572-L576 WeakPolarHBondContact O-CB 3.43Å; L572-L576 WeakPolarHBondContact O-CG 3.33Å; L572-L576 PolarHBondContact O-N 3.37Å; R573-L576 PolarHBondContact O-N 2.87Å; L576-R580 WeakPolarHBondContact O-CB 3.44Å; L576-R580 PolarHBondContact O-N 3.49Å
577E85.4Confident81.1Confident86 Ų86113.6 Ų113.640%0.40253%0.527SS..Hα-helixtrans-72.4-35.7176.6-162.163.5-159.600111.9R573 N574 E575 R580 E581R573-E577 PolarHBondContact O-N 3.38Å; N574-E577 PolarHBondContact O-N 2.97Å; E575-E577 VanDerWaalsContact C-N 3.34Å; E575-E577 PolarHBondContact O-N 2.85Å; E577-R580 WeakPolarHBondContact O-CB 3.21Å; E577-R580 PolarHBondContact O-N 3.31Å; E577-R580 WeakPolarHBondContact OE1-CD 3.15Å; E577-R580 IonicContact OE1-NH1 3.72Å; E577-R580 WeakPolarHBondContact OE2-CD 3.01Å; E577-R580 IonicContact OE2-CZ 2.7Å; E577-R580 IonicContact OE2-NE 3.84Å; E577-R580 IonicContact OE2-NH1 3.27Å; E577-R580 PolarHBondContact OE2-NH1 2.9Å; E577-E581 PolarHBondContact O-N 3.34Å; E577-E581 VanDerWaalsContact O-N 3.1Å
578Y85.9Confident80.6Confident180 Ų180112.5 Ų112.571%0.70653%0.525SS*.Hα-helixtrans-59.5-49.5170.9179.9-92.7000111.6N574 E575 R580 E581 E582N574-Y578 PolarHBondContact O-N 3.06Å; N574-Y578 VanDerWaalsContact O-N 3.08Å; E575-Y578 WeakPolarHBondContact O-CB 3.46Å; E575-Y578 PolarHBondContact O-N 3.29Å; Y578-R580 VanDerWaalsContact C-N 3.3Å; Y578-R580 PolarHBondContact O-N 3.06Å; Y578-E581 PolarHBondContact O-N 2.95Å; Y578-E582 PolarHBondContact O-N 3.12Å; Y578-E582 VanDerWaalsContact O-N 3.11Å
579V83.1Confident80.5Confident67 Ų67113.3 Ų113.341%0.40653%0.525SS..Hα-helixtrans-63.3-35176.5173.20000111.8E575 E582 L583E575-V579 WeakPolarHBondContact O-CG2 3.39Å; E575-V579 PolarHBondContact O-N 3.35Å; V579-E582 PolarHBondContact O-N 2.93Å; V579-L583 HydrophobicContact CG1-CD1 4.11Å; V579-L583 HydrophobicContact CG1-CG 4.44Å; V579-L583 WeakPolarHBondContact O-CB 3.29Å; V579-L583 VanDerWaalsContact O-CG 3.32Å; V579-L583 WeakPolarHBondContact O-CG 3.4Å; V579-L583 PolarHBondContact O-N 3.43Å
580R81.6Confident80.1Confident152 Ų152113.3 Ų113.357%0.57453%0.531SS*.Hα-helixtrans-61.9-44176175.2179.4-73.5164-5.7112.2L576 E577 Y578 L583 K584L576-R580 WeakPolarHBondContact O-CB 3.44Å; L576-R580 PolarHBondContact O-N 3.49Å; E577-R580 WeakPolarHBondContact O-CB 3.21Å; E577-R580 PolarHBondContact O-N 3.31Å; E577-R580 WeakPolarHBondContact OE1-CD 3.15Å; E577-R580 IonicContact OE1-NH1 3.72Å; E577-R580 WeakPolarHBondContact OE2-CD 3.01Å; E577-R580 IonicContact OE2-CZ 2.7Å; E577-R580 IonicContact OE2-NE 3.84Å; E577-R580 IonicContact OE2-NH1 3.27Å; E577-R580 PolarHBondContact OE2-NH1 2.9Å; Y578-R580 VanDerWaalsContact C-N 3.3Å; Y578-R580 PolarHBondContact O-N 3.06Å; R580-L583 PolarHBondContact O-N 3.44Å; R580-K584 WeakPolarHBondContact O-CB 3.43Å; R580-K584 PolarHBondContact O-N 2.62Å
581E81.6Confident79.9Confident85 Ų85115.9 Ų115.940%0.39754%0.535SS..Hα-helixtrans-74.6-30.3179.5-66.8-66.1-78.700112.4E577 Y578 K584 Q585E577-E581 PolarHBondContact O-N 3.34Å; E577-E581 VanDerWaalsContact O-N 3.1Å; Y578-E581 PolarHBondContact O-N 2.95Å; E581-K584 WeakPolarHBondContact O-CB 3.49Å; E581-K584 PolarHBondContact O-N 2.93Å; E581-K584 WeakPolarHBondContact OE1-CD 3.16Å; E581-K584 IonicContact OE1-NZ 3.43Å; E581-K584 PolarHBondContact OE1-NZ 3.45Å; E581-K584 WeakPolarHBondContact OE2-CD 3.44Å; E581-K584 WeakPolarHBondContact OE2-CE 3.28Å; E581-K584 IonicContact OE2-NZ 3.62Å; E581-K584 PolarHBondContact OE2-NZ 2.92Å; E581-Q585 PolarHBondContact O-N 3.33Å
582E82.8Confident79.3Confident105 Ų105114.9 Ų114.949%0.49154%0.54SS..Hα-helixtrans-62.2-46.8168.4-172-178.3-172.200111.4Y578 V579 K584 Q585 K586Y578-E582 PolarHBondContact O-N 3.12Å; Y578-E582 VanDerWaalsContact O-N 3.11Å; V579-E582 PolarHBondContact O-N 2.93Å; E582-K584 VanDerWaalsContact C-N 3.25Å; E582-K584 PolarHBondContact O-N 3.28Å; E582-Q585 PolarHBondContact O-N 3.3Å; E582-K586 PolarHBondContact O-N 3.43Å
583L77.7Confident78.6Confident115 Ų115116 Ų11660%0.60254%0.541SS*.Hα-helixtrans-61.8-32.1176.2-73.8172.2000112.9V579 R580 K586 R587V579-L583 HydrophobicContact CG1-CD1 4.11Å; V579-L583 HydrophobicContact CG1-CG 4.44Å; V579-L583 WeakPolarHBondContact O-CB 3.29Å; V579-L583 VanDerWaalsContact O-CG 3.32Å; V579-L583 WeakPolarHBondContact O-CG 3.4Å; V579-L583 PolarHBondContact O-N 3.43Å; R580-L583 PolarHBondContact O-N 3.44Å; L583-K586 PolarHBondContact O-N 2.88Å; L583-R587 PolarHBondContact O-N 3.28Å
584K76.6Confident78.2Confident95 Ų95114 Ų11441%0.41354%0.54SS..Hα-helixtrans-70-44.8174.3-179.4-176.2-179.8-176.20111.6R580 E581 E582 K586 R587 D588R580-K584 WeakPolarHBondContact O-CB 3.43Å; R580-K584 PolarHBondContact O-N 2.62Å; E581-K584 WeakPolarHBondContact O-CB 3.49Å; E581-K584 PolarHBondContact O-N 2.93Å; E581-K584 WeakPolarHBondContact OE1-CD 3.16Å; E581-K584 IonicContact OE1-NZ 3.43Å; E581-K584 PolarHBondContact OE1-NZ 3.45Å; E581-K584 WeakPolarHBondContact OE2-CD 3.44Å; E581-K584 WeakPolarHBondContact OE2-CE 3.28Å; E581-K584 IonicContact OE2-NZ 3.62Å; E581-K584 PolarHBondContact OE2-NZ 2.92Å; E582-K584 VanDerWaalsContact C-N 3.25Å; E582-K584 PolarHBondContact O-N 3.28Å; K584-K586 PolarHBondContact O-N 2.87Å; K584-R587 WeakPolarHBondContact O-CB 3.47Å; K584-R587 PolarHBondContact O-N 2.91Å; K584-R587 VanDerWaalsContact O-N 3.08Å; K584-D588 PolarHBondContact O-N 3.44Å
585Q76.4Confident77.4Confident148 Ų148113.2 Ų113.269%0.69254%0.536SS*.Hα-helixtrans-59.5-37.9173.2-162.9177.734.400111.4E581 E582 E589E581-Q585 PolarHBondContact O-N 3.33Å; E582-Q585 PolarHBondContact O-N 3.3Å; Q585-E589 PolarHBondContact O-N 2.55Å
586K77.4Confident76.2Confident108 Ų108115.7 Ų115.747%0.4755%0.545SS..Hα-helixtrans-69-35.1173.2-71.9-73.1155.2-165.60113.8E582 L583 K584 D588 E589 V590E582-K586 PolarHBondContact O-N 3.43Å; L583-K586 PolarHBondContact O-N 2.88Å; K584-K586 PolarHBondContact O-N 2.87Å; K586-D588 PolarHBondContact O-N 3.35Å; K586-E589 IonicContact NZ-OE2 3.37Å; K586-E589 PolarHBondContact NZ-OE2 3.26Å; K586-E589 PolarHBondContact O-N 3.07Å; K586-V590 WeakPolarHBondContact O-CG2 3.49Å; K586-V590 PolarHBondContact O-N 2.87Å; K586-V590 VanDerWaalsContact O-N 3.09Å
587R72.1Confident75.5Confident180 Ų180112.4 Ų112.468%0.67953%0.533SS*.Hα-helixtrans-59.2-46174.8178.9-173.7-67.1175.2-1111.5L583 K584 V590 K591L583-R587 PolarHBondContact O-N 3.28Å; K584-R587 WeakPolarHBondContact O-CB 3.47Å; K584-R587 PolarHBondContact O-N 2.91Å; K584-R587 VanDerWaalsContact O-N 3.08Å; R587-V590 PolarHBondContact O-N 3.35Å; R587-K591 PolarHBondContact O-N 3.2Å
588D72.4Confident74.8Confident90 Ų90114.4 Ų114.448%0.48154%0.542SS..Hα-helixtrans-71.5-32-178.2-65.9-30.6000111.9K584 K586 V590 K591 C592K584-D588 PolarHBondContact O-N 3.44Å; K586-D588 PolarHBondContact O-N 3.35Å; D588-V590 VanDerWaalsContact C-N 3.32Å; D588-V590 PolarHBondContact O-N 2.85Å; D588-K591 PolarHBondContact O-N 3.44Å; D588-C592 PolarHBondContact O-N 3.03Å
589E78.5Confident73.8Confident82 Ų82113.8 Ų113.838%0.38355%0.546SS..Hα-helixtrans-62.9-35.3170-158.6-152.713000112.8Q585 K586 K593Q585-E589 PolarHBondContact O-N 2.55Å; K586-E589 IonicContact NZ-OE2 3.37Å; K586-E589 PolarHBondContact NZ-OE2 3.26Å; K586-E589 PolarHBondContact O-N 3.07Å; E589-K593 WeakPolarHBondContact O-CD 3.45Å; E589-K593 WeakPolarHBondContact O-CE 3.27Å; E589-K593 WeakPolarHBondContact O-CG 3.35Å; E589-K593 IonicContact OE1-NZ 2.6Å; E589-K593 PolarHBondContact OE1-NZ 3.09Å
590V75.3Confident72.5Confident92 Ų92116.6 Ų116.656%0.55856%0.558SS**Hα-helixtrans-75.3-37.7175.5170.80000111.5K586 R587 D588 C592 K593 L594K586-V590 WeakPolarHBondContact O-CG2 3.49Å; K586-V590 PolarHBondContact O-N 2.87Å; K586-V590 VanDerWaalsContact O-N 3.09Å; R587-V590 PolarHBondContact O-N 3.35Å; D588-V590 VanDerWaalsContact C-N 3.32Å; D588-V590 PolarHBondContact O-N 2.85Å; V590-C592 PolarHBondContact O-N 2.86Å; V590-K593 WeakPolarHBondContact O-CB 3.4Å; V590-K593 PolarHBondContact O-N 3.12Å; V590-L594 PolarHBondContact O-N 2.84Å; V590-L594 VanDerWaalsContact O-N 3.15Å
591K75.7Confident71.4Confident127 Ų127113 Ų11355%0.55256%0.555SS**Hα-helixtrans-57.5-48.4-179.8-168.8176.5179.3-176.30112R587 D588 K593 L594 D595R587-K591 PolarHBondContact O-N 3.2Å; D588-K591 PolarHBondContact O-N 3.44Å; K591-K593 PolarHBondContact O-N 3.25Å; K591-L594 WeakPolarHBondContact O-CB 3.46Å; K591-L594 PolarHBondContact O-N 2.85Å; K591-D595 PolarHBondContact O-N 3.11Å
592C67.9Low70.5Confident92 Ų92113.1 Ų113.162%0.62256%0.559SS**Hα-helixtrans-62-10.5175.6-69.40000115.1D588 V590D588-C592 PolarHBondContact O-N 3.03Å; V590-C592 PolarHBondContact O-N 2.86Å
593K70.6Confident69.5Low120 Ų120114.3 Ų114.352%0.52257%0.568SS.*Hα-helixtrans-97-30.1174.8-62.7168.2-176.3172.70111.9E589 V590 K591E589-K593 WeakPolarHBondContact O-CD 3.45Å; E589-K593 WeakPolarHBondContact O-CE 3.27Å; E589-K593 WeakPolarHBondContact O-CG 3.35Å; E589-K593 IonicContact OE1-NZ 2.6Å; E589-K593 PolarHBondContact OE1-NZ 3.09Å; V590-K593 WeakPolarHBondContact O-CB 3.4Å; V590-K593 PolarHBondContact O-N 3.12Å; K591-K593 PolarHBondContact O-N 3.25Å
594L72.4Confident68.8Low107 Ų107114.8 Ų114.856%0.5657%0.571SS**Hα-helixtrans-66.4-46.2178.4-175.963.3000111.6V590 K591 K596 S597V590-L594 PolarHBondContact O-N 2.84Å; V590-L594 VanDerWaalsContact O-N 3.15Å; K591-L594 WeakPolarHBondContact O-CB 3.46Å; K591-L594 PolarHBondContact O-N 2.85Å; L594-K596 PolarHBondContact O-N 3.29Å; L594-S597 WeakPolarHBondContact O-CB 3.28Å; L594-S597 PolarHBondContact O-N 3.46Å; L594-S597 PolarHBondContact O-OG 3.31Å
595D65.1Low68.2Low102 Ų102118.6 Ų118.655%0.54558%0.583SS.*THydrogen-bonded Turntrans-59.6-22.6-175.7-57.4-15.2000113.3K591K591-D595 PolarHBondContact O-N 3.11Å
596K61.7Low67.5Low175 Ų175119.5 Ų119.576%0.76158%0.584SS**THydrogen-bonded Turntrans-85.5-6.8174.9-73.8-176.9175.21780114.8L594L594-K596 PolarHBondContact O-N 3.29Å
597S66.1Low66.3Low53 Ų53121.6 Ų121.637%0.37160%0.596SS.*THydrogen-bonded Turntrans-103.2-27.9-175.870.50000113.6L594 E599 N600L594-S597 WeakPolarHBondContact O-CB 3.28Å; L594-S597 PolarHBondContact O-N 3.46Å; L594-S597 PolarHBondContact O-OG 3.31Å; S597-E599 VanDerWaalsContact C-N 3.32Å; S597-E599 PolarHBondContact O-N 3.38Å; S597-N600 PolarHBondContact O-N 3.11Å
598E69.3Low65.9Low128 Ų128118.2 Ų118.260%0.59860%0.595SS**Hα-helixtrans-64.5-34.2-174.5-173.6164.5-168.300113.2N600 C601E598-N600 VanDerWaalsContact C-N 3.27Å; E598-N600 PolarHBondContact O-N 2.96Å; E598-C601 PolarHBondContact O-N 3.2Å; E598-C601 VanDerWaalsContact O-N 3.1Å
599E65.6Low65.3Low167 Ų167121.4 Ų121.478%0.7861%0.607SS**Hα-helixtrans-61.3-32.2-178.1-163164.1-142.300113.1S597S597-E599 VanDerWaalsContact C-N 3.32Å; S597-E599 PolarHBondContact O-N 3.38Å
600N56.6Low64.4Low126 Ų126124.7 Ų124.767%0.67463%0.627SS**Hα-helixtrans-74.9-28.2176.8-80.3-57.1000113.5S597 E598 N602S597-N600 PolarHBondContact O-N 3.11Å; E598-N600 VanDerWaalsContact C-N 3.27Å; E598-N600 PolarHBondContact O-N 2.96Å; N600-N602 VanDerWaalsContact C-N 3.26Å; N600-N602 PolarHBondContact O-N 2.82Å
601C57.4Low63.7Low76 Ų76129.1 Ų129.151%0.51464%0.639SS.*Hα-helixtrans-70.9-18.3-172-73.40000114.1E598 N603E598-C601 PolarHBondContact O-N 3.2Å; E598-C601 VanDerWaalsContact O-N 3.1Å; C601-N603 PolarHBondContact O-N 2.93Å
602N63.7Low62.9Low88 Ų88128 Ų12847%0.47164%0.639SS.*Hα-helixtrans-73.4-21.4-174.7-76.9-43.1000114.5N600N600-N602 VanDerWaalsContact C-N 3.26Å; N600-N602 PolarHBondContact O-N 2.82Å
603N60.6Low62.5Low129 Ų129132 Ų13269%0.6965%0.646SS**Hα-helixtrans-76.8-37.6179-83.1-45.2000113.5C601 R605C601-N603 PolarHBondContact O-N 2.93Å; N603-R605 VanDerWaalsContact C-N 3.29Å; N603-R605 PolarHBondContact O-N 3Å
604L62.6Low61.8Low125 Ų125135.7 Ų135.765%0.65466%0.658SS**Hα-helixtrans-70.2-25.2-177.6-66.9173.8000113.2K606 Q607L604-K606 PolarHBondContact O-N 2.87Å; L604-Q607 PolarHBondContact O-N 3Å; L604-Q607 VanDerWaalsContact O-N 3.13Å
605R64.4Low61.5Low175 Ų175134.8 Ų134.866%0.6665%0.653SS**G310 helixtrans-57.4-33.8-176.3-162.7175.6-61.9-165.84.7113.1N603 Q607N603-R605 VanDerWaalsContact C-N 3.29Å; N603-R605 PolarHBondContact O-N 3Å; R605-Q607 PolarHBondContact O-N 2.91Å
606K62.9Low61.6Low167 Ų167135.4 Ų135.473%0.72665%0.652SS**G310 helixtrans-70.2-9.9-179-67.1-179.5178.6174.90114.8L604L604-K606 PolarHBondContact O-N 2.87Å
607Q50.6Low61.5Low152 Ų152134.5 Ų134.571%0.7165%0.651SS**G310 helixtrans-93.5-20.8-174.6-157.2177.930.200113.9L604 R605L604-Q607 PolarHBondContact O-N 3Å; L604-Q607 VanDerWaalsContact O-N 3.13Å; R605-Q607 PolarHBondContact O-N 2.91Å
608V64Low61.4Low110 Ų110137.5 Ų137.567%0.66766%0.662SS**THydrogen-bonded Turntrans-81.2-29.4-171.1-179.40000112.8N610 K611V608-N610 PolarHBondContact O-N 2.85Å; V608-N610 VanDerWaalsContact O-N 3.1Å; V608-K611 PolarHBondContact O-N 3.04Å
609E59.9Low61.2Low156 Ų156136.2 Ų136.273%0.72966%0.656SS**G310 helixtrans-59.5-29-165-151151-143.300114.2K611E609-K611 VanDerWaalsContact C-N 3.32Å; E609-K611 PolarHBondContact O-N 2.8Å
610N59.8Low61.4Low151 Ų151135.1 Ų135.181%0.80765%0.651SS**G310 helixtrans-72.4-12.3-177-74.9-35.4000115.5V608V608-N610 PolarHBondContact O-N 2.85Å; V608-N610 VanDerWaalsContact O-N 3.1Å
611K60.3Low61.7Low186 Ų186136 Ų13681%0.80965%0.651SS**G310 helixtrans-93.8-1.4-176.2-70.2-172.5177-178.60115.1V608 E609 K613V608-K611 PolarHBondContact O-N 3.04Å; E609-K611 VanDerWaalsContact C-N 3.32Å; E609-K611 PolarHBondContact O-N 2.8Å; K611-K613 PolarHBondContact O-N 3.41Å
612N59.3Low62.1Low103 Ų103136.8 Ų136.855%0.55165%0.65SS**G310 helixtrans-73.2-17.9-164.5-157.135.3000115.9Y614 I615N612-Y614 PolarHBondContact O-N 2.86Å; N612-I615 PolarHBondContact O-N 3.49Å
613K59.9Low62.8Low177 Ų177139.1 Ų139.177%0.7766%0.656SS**G310 helixtrans-73.4-13.2-164.9-67-171.6175.5-175.70116.7K611 I615K611-K613 PolarHBondContact O-N 3.41Å; K613-I615 VanDerWaalsContact C-N 3.31Å
614Y56.3Low63.4Low197 Ų197136 Ų13677%0.77365%0.649SS**G310 helixtrans-83.2-7.5178-167.6-108000113.3N612N612-Y614 PolarHBondContact O-N 2.86Å
615I65.3Low63.7Low88 Ų88136.1 Ų136.145%0.45165%0.649SS.*SBendtrans-87.3-19.8-174.2-62.5174.9000111.9N612 K613 E617 Q619N612-I615 PolarHBondContact O-N 3.49Å; K613-I615 VanDerWaalsContact C-N 3.31Å; I615-E617 PolarHBondContact O-N 3.18Å; I615-Q619 HydrophobicContact CG2-CG 4.49Å
616E67.3Low64.1Low115 Ų115135 Ų13554%0.53765%0.649SS.*THydrogen-bonded Turntrans-71.1-24.9-167-59.8-172.7122.500114.3
617E59.3Low64.8Low156 Ų156134.8 Ų134.873%0.72965%0.648SS**THydrogen-bonded Turntrans-75-45.7179.5-62.9-175.3157.700111.7I615 Q619 Q620I615-E617 PolarHBondContact O-N 3.18Å; E617-Q619 PolarHBondContact O-N 3.07Å; E617-Q619 VanDerWaalsContact O-N 3.1Å; E617-Q620 PolarHBondContact O-N 3.11Å
618L64.1Low66Low116 Ų116134 Ų13461%0.60764%0.643SS**Hα-helixtrans-63.5-15.8174.8-69.3172.6000113.6N622L618-N622 PolarHBondContact O-ND2 3.22Å
619Q65.5Low66.4Low101 Ų101130.4 Ų130.447%0.47263%0.627SS.*Hα-helixtrans-76.5-21.1173.4-68.7-1771200113.6I615 E617 K623I615-Q619 HydrophobicContact CG2-CG 4.49Å; E617-Q619 PolarHBondContact O-N 3.07Å; E617-Q619 VanDerWaalsContact O-N 3.1Å; Q619-K623 WeakPolarHBondContact O-CG 3.46Å; Q619-K623 PolarHBondContact O-N 2.94Å
620Q70.2Confident67.1Low143 Ų143126.5 Ų126.567%0.66861%0.614SS**Hα-helixtrans-76.7-43.6-176.9-59.2-155.925.900112.2E617 K623E617-Q620 PolarHBondContact O-N 3.11Å; Q620-K623 WeakPolarHBondContact O-CB 3.3Å; Q620-K623 PolarHBondContact O-N 3.41Å; Q620-K623 VanDerWaalsContact O-N 3.16Å
621E62.8Low67.9Low144 Ų144122.1 Ų122.167%0.67360%0.599SS**Hα-helixtrans-64.7-41.9176.2-168.6169.6-152.600111.5K623 A624E621-K623 PolarHBondContact O-N 3.46Å; E621-A624 WeakPolarHBondContact O-CB 3.42Å; E621-A624 PolarHBondContact O-N 3.36Å
622N65.1Low68.6Low93 Ų93118.2 Ų118.250%0.49758%0.584SS.*Hα-helixtrans-57.2-29.5172.8-91.3-78.8000113.9L618 A624 K626L618-N622 PolarHBondContact O-ND2 3.22Å; N622-A624 VanDerWaalsContact C-N 3.31Å; N622-A624 PolarHBondContact O-N 2.87Å; N622-K626 WeakPolarHBondContact O-CB 3.41Å; N622-K626 WeakPolarHBondContact O-CG 3.49Å; N622-K626 PolarHBondContact O-N 3.31Å
623K78.7Confident69.3Low137 Ų137116.8 Ų116.860%0.59658%0.582SS**Hα-helixtrans-68-28.1175.7-81.5171177.2168.30112.7Q619 Q620 E621 K627Q619-K623 WeakPolarHBondContact O-CG 3.46Å; Q619-K623 PolarHBondContact O-N 2.94Å; Q620-K623 WeakPolarHBondContact O-CB 3.3Å; Q620-K623 PolarHBondContact O-N 3.41Å; Q620-K623 VanDerWaalsContact O-N 3.16Å; E621-K623 PolarHBondContact O-N 3.46Å; K623-K627 WeakPolarHBondContact O-CG 3.35Å; K623-K627 PolarHBondContact O-N 3.03Å
624A73.2Confident70.5Confident65 Ų65115.2 Ų115.254%0.53758%0.575SS.*Hα-helixtrans-71.5-50.9176.900000111.1E621 N622 K626 K627 K628E621-A624 WeakPolarHBondContact O-CB 3.42Å; E621-A624 PolarHBondContact O-N 3.36Å; N622-A624 VanDerWaalsContact C-N 3.31Å; N622-A624 PolarHBondContact O-N 2.87Å; A624-K626 PolarHBondContact O-N 2.87Å; A624-K627 PolarHBondContact O-N 3.37Å; A624-K627 VanDerWaalsContact O-N 3.16Å; A624-K628 PolarHBondContact O-N 3.34Å
625L69.2Low71.7Confident126 Ų126111.3 Ų111.366%0.6656%0.564SS**Hα-helixtrans-62.7-39.5178-66.8174.5000112.2K627 K628 G629L625-K627 VanDerWaalsContact C-N 3.3Å; L625-K627 PolarHBondContact O-N 3.47Å; L625-K628 PolarHBondContact O-N 3.45Å; L625-G629 PolarHBondContact O-N 2.89Å
626K72.4Confident72.3Confident153 Ų153112.6 Ų112.667%0.66557%0.571SS**Hα-helixtrans-55.9-40.7173.2-87.2-172.6173-178.20113N622 A624 K628 G629 T630N622-K626 WeakPolarHBondContact O-CB 3.41Å; N622-K626 WeakPolarHBondContact O-CG 3.49Å; N622-K626 PolarHBondContact O-N 3.31Å; A624-K626 PolarHBondContact O-N 2.87Å; K626-K628 PolarHBondContact O-N 2.88Å; K626-G629 PolarHBondContact O-N 2.68Å; K626-T630 WeakPolarHBondContact O-CG2 3.34Å; K626-T630 PolarHBondContact O-N 2.95Å; K626-T630 PolarHBondContact O-OG1 3.31Å
627K78.4Confident73.1Confident161 Ų161110.8 Ų110.870%0.757%0.565SS**Hα-helixtrans-60.4-46.8178.6-75.1176.2179.4-178.30111.5K623 A624 L625 T630 A631K623-K627 WeakPolarHBondContact O-CG 3.35Å; K623-K627 PolarHBondContact O-N 3.03Å; A624-K627 PolarHBondContact O-N 3.37Å; A624-K627 VanDerWaalsContact O-N 3.16Å; L625-K627 VanDerWaalsContact C-N 3.3Å; L625-K627 PolarHBondContact O-N 3.47Å; K627-T630 PolarHBondContact O-N 2.84Å; K627-T630 PolarHBondContact O-OG1 3.28Å; K627-A631 PolarHBondContact O-N 3.01Å
628K76Confident74.3Confident137 Ų137107 Ų10760%0.59655%0.552SS**Hα-helixtrans-61.8-49.1177.1-175.3174171.5-179.90111.5A624 L625 K626 T630 A631 E632A624-K628 PolarHBondContact O-N 3.34Å; L625-K628 PolarHBondContact O-N 3.45Å; K626-K628 PolarHBondContact O-N 2.88Å; K628-T630 VanDerWaalsContact C-N 3.28Å; K628-T630 PolarHBondContact O-N 3.19Å; K628-A631 WeakPolarHBondContact O-CB 3.48Å; K628-A631 PolarHBondContact O-N 2.85Å; K628-E632 WeakPolarHBondContact CE-OE1 3.28Å; K628-E632 IonicContact NZ-OE1 3.85Å; K628-E632 PolarHBondContact O-N 2.79Å; K628-E632 VanDerWaalsContact O-N 3.16Å
629G72.4Confident75.1Confident33 Ų33107.9 Ų107.934%0.3455%0.548SS..Hα-helixtrans-57.5-36.9176.100000113.6L625 K626 A631 S633L625-G629 PolarHBondContact O-N 2.89Å; K626-G629 PolarHBondContact O-N 2.68Å; G629-A631 VanDerWaalsContact C-N 3.29Å; G629-A631 PolarHBondContact O-N 3.44Å; G629-S633 WeakPolarHBondContact O-CB 3.29Å; G629-S633 PolarHBondContact O-N 3.37Å
630T74.6Confident76Confident75 Ų75107.8 Ų107.846%0.4655%0.548SS..Hα-helixtrans-72.7-14.4175.161.20000114.9K626 K627 K628 K634K626-T630 WeakPolarHBondContact O-CG2 3.34Å; K626-T630 PolarHBondContact O-N 2.95Å; K626-T630 PolarHBondContact O-OG1 3.31Å; K627-T630 PolarHBondContact O-N 2.84Å; K627-T630 PolarHBondContact O-OG1 3.28Å; K628-T630 VanDerWaalsContact C-N 3.28Å; K628-T630 PolarHBondContact O-N 3.19Å; T630-K634 WeakPolarHBondContact O-CD 3.45Å; T630-K634 WeakPolarHBondContact O-CE 3.3Å; T630-K634 WeakPolarHBondContact O-CG 3.44Å
631A75.6Confident76.8Confident59 Ų59106 Ų10649%0.48854%0.542SS..Hα-helixtrans-83.1-49.5171.200000110.3K627 K628 G629 S633 K634 Q635K627-A631 PolarHBondContact O-N 3.01Å; K628-A631 WeakPolarHBondContact O-CB 3.48Å; K628-A631 PolarHBondContact O-N 2.85Å; G629-A631 VanDerWaalsContact C-N 3.29Å; G629-A631 PolarHBondContact O-N 3.44Å; A631-S633 PolarHBondContact O-N 3.5Å; A631-K634 PolarHBondContact O-N 2.95Å; A631-Q635 PolarHBondContact O-N 3.41Å; A631-Q635 VanDerWaalsContact O-N 3.11Å
632E74.4Confident78.1Confident104 Ų104104.6 Ų104.649%0.48653%0.534SS..Hα-helixtrans-62.6-42.9178.4-70162.917700111.3K628 K634 Q635 L636K628-E632 WeakPolarHBondContact CE-OE1 3.28Å; K628-E632 IonicContact NZ-OE1 3.85Å; K628-E632 PolarHBondContact O-N 2.79Å; K628-E632 VanDerWaalsContact O-N 3.16Å; E632-K634 PolarHBondContact O-N 2.72Å; E632-Q635 PolarHBondContact O-N 2.76Å; E632-Q635 VanDerWaalsContact O-N 3.15Å; E632-L636 WeakPolarHBondContact O-CB 3.48Å; E632-L636 PolarHBondContact O-N 2.9Å
633S75.3Confident79.1Confident73 Ų73103.6 Ų103.651%0.5153%0.53SS..Hα-helixtrans-60.7-37.7174.51710000113.5G629 A631 L636 N637G629-S633 WeakPolarHBondContact O-CB 3.29Å; G629-S633 PolarHBondContact O-N 3.37Å; A631-S633 PolarHBondContact O-N 3.5Å; S633-L636 PolarHBondContact O-N 3.21Å; S633-N637 WeakPolarHBondContact O-CB 3.34Å; S633-N637 PolarHBondContact O-N 3.41Å
634K84.9Confident79.6Confident144 Ų144100.5 Ų100.563%0.62652%0.521SS*.Hα-helixtrans-67.3-38.2174.6-75.2169.9-170.2172.50111.7T630 A631 E632 V638T630-K634 WeakPolarHBondContact O-CD 3.45Å; T630-K634 WeakPolarHBondContact O-CE 3.3Å; T630-K634 WeakPolarHBondContact O-CG 3.44Å; A631-K634 PolarHBondContact O-N 2.95Å; E632-K634 PolarHBondContact O-N 2.72Å; K634-V638 WeakPolarHBondContact O-CG2 3.44Å; K634-V638 PolarHBondContact O-N 2.85Å; K634-V638 VanDerWaalsContact O-N 3.09Å
635Q79.9Confident80.4Confident115 Ų115103.1 Ų103.154%0.53752%0.52SS..Hα-helixtrans-68-40.1176.5-170.8172.1-0.600111.2A631 E632 V638 Y639A631-Q635 PolarHBondContact O-N 3.41Å; A631-Q635 VanDerWaalsContact O-N 3.11Å; E632-Q635 PolarHBondContact O-N 2.76Å; E632-Q635 VanDerWaalsContact O-N 3.15Å; Q635-V638 PolarHBondContact O-N 2.85Å; Q635-Y639 HydrophobicContact CG-CD2 4.3Å; Q635-Y639 HydrophobicContact CG-CE2 3.83Å; Q635-Y639 WeakPolarHBondContact O-CD2 3.4Å; Q635-Y639 PolarHBondContact O-N 3.41Å
636L78.1Confident81.3Confident114 Ų114102.3 Ų102.360%0.59752%0.516SS*.Hα-helixtrans-61.6-48.8175.2-148.7169.2000111.1E632 S633 V638 Y639 E640E632-L636 WeakPolarHBondContact O-CB 3.48Å; E632-L636 PolarHBondContact O-N 2.9Å; S633-L636 PolarHBondContact O-N 3.21Å; L636-V638 VanDerWaalsContact C-N 3.29Å; L636-V638 PolarHBondContact O-N 2.84Å; L636-Y639 CarbonylContact O-C 3.6Å; L636-Y639 WeakPolarHBondContact O-CA 3.36Å; L636-Y639 WeakPolarHBondContact O-CB 3.16Å; L636-Y639 PolarHBondContact O-N 3.24Å; L636-E640 PolarHBondContact O-N 2.91Å
637N84.3Confident82Confident77 Ų77100.3 Ų100.341%0.41251%0.508SS..Hα-helixtrans-58.5-37175.4-172.8-49000112.4S633 Y639 E640 I641S633-N637 WeakPolarHBondContact O-CB 3.34Å; S633-N637 PolarHBondContact O-N 3.41Å; N637-Y639 VanDerWaalsContact C-N 3.29Å; N637-Y639 PolarHBondContact O-N 3.28Å; N637-E640 WeakPolarHBondContact O-CB 3.32Å; N637-E640 PolarHBondContact O-N 2.96Å; N637-I641 WeakPolarHBondContact O-CB 3.4Å; N637-I641 WeakPolarHBondContact O-CG1 3.3Å; N637-I641 PolarHBondContact O-N 2.93Å; N637-I641 WeakPolarHBondContact OD1-CD1 3.49Å
638V84.2Confident82.4Confident77 Ų7798.7 Ų98.747%0.46751%0.507SS..Hα-helixtrans-67.9-24173.6167.20000113.4K634 Q635 L636 K642K634-V638 WeakPolarHBondContact O-CG2 3.44Å; K634-V638 PolarHBondContact O-N 2.85Å; K634-V638 VanDerWaalsContact O-N 3.09Å; Q635-V638 PolarHBondContact O-N 2.85Å; L636-V638 VanDerWaalsContact C-N 3.29Å; L636-V638 PolarHBondContact O-N 2.84Å; V638-K642 WeakPolarHBondContact O-CD 3.32Å; V638-K642 VanDerWaalsContact O-CG 3.31Å; V638-K642 WeakPolarHBondContact O-CG 3.41Å
639Y81.2Confident83Confident135 Ų13596.5 Ų96.553%0.52950%0.499SS..Hα-helixtrans-82.4-41.3168.7-72.2-68.5000111.8Q635 L636 N637 I641 K642 V643Q635-Y639 HydrophobicContact CG-CD2 4.3Å; Q635-Y639 HydrophobicContact CG-CE2 3.83Å; Q635-Y639 WeakPolarHBondContact O-CD2 3.4Å; Q635-Y639 PolarHBondContact O-N 3.41Å; L636-Y639 CarbonylContact O-C 3.6Å; L636-Y639 WeakPolarHBondContact O-CA 3.36Å; L636-Y639 WeakPolarHBondContact O-CB 3.16Å; L636-Y639 PolarHBondContact O-N 3.24Å; N637-Y639 VanDerWaalsContact C-N 3.29Å; N637-Y639 PolarHBondContact O-N 3.28Å; Y639-I641 PolarHBondContact O-N 3.46Å; Y639-K642 CarbonylContact O-C 3.59Å; Y639-K642 WeakPolarHBondContact O-CA 3.41Å; Y639-K642 WeakPolarHBondContact O-CB 3.35Å; Y639-K642 PolarHBondContact O-N 2.93Å; Y639-V643 WeakPolarHBondContact O-CG2 3.4Å; Y639-V643 PolarHBondContact O-N 3.47Å
640E84.9Confident83.6Confident99 Ų9999.7 Ų99.746%0.46351%0.507SS..Hα-helixtrans-55.8-49.5175.2-170.4179.8179.700111.6L636 N637 K642 V643 N644L636-E640 PolarHBondContact O-N 2.91Å; N637-E640 WeakPolarHBondContact O-CB 3.32Å; N637-E640 PolarHBondContact O-N 2.96Å; E640-K642 PolarHBondContact O-N 3.35Å; E640-V643 PolarHBondContact O-N 3.19Å; E640-V643 VanDerWaalsContact O-N 3.12Å; E640-N644 WeakPolarHBondContact O-CB 3.18Å; E640-N644 PolarHBondContact O-N 2.92Å; E640-N644 PolarHBondContact O-OD1 3.43Å; E640-N644 VanDerWaalsContact O-OD1 3.1Å
641I86.4Confident84.3Confident105 Ų105101.1 Ų101.154%0.53851%0.509SS..Hα-helixtrans-58.4-32.5174.1-70.3171.3000112.2N637 Y639 K645N637-I641 WeakPolarHBondContact O-CB 3.4Å; N637-I641 WeakPolarHBondContact O-CG1 3.3Å; N637-I641 PolarHBondContact O-N 2.93Å; N637-I641 WeakPolarHBondContact OD1-CD1 3.49Å; Y639-I641 PolarHBondContact O-N 3.46Å; I641-K645 WeakPolarHBondContact O-CB 3.37Å; I641-K645 PolarHBondContact O-N 2.93Å; I641-K645 VanDerWaalsContact O-N 3.12Å
642K90.1Very high84.8Confident115 Ų115100.5 Ų100.550%0.550%0.501SS..Hα-helixtrans-76.4-39176.5-71.4171.6-175.4175.40112.3V638 Y639 E640 K645 L646V638-K642 WeakPolarHBondContact O-CD 3.32Å; V638-K642 VanDerWaalsContact O-CG 3.31Å; V638-K642 WeakPolarHBondContact O-CG 3.41Å; Y639-K642 CarbonylContact O-C 3.59Å; Y639-K642 WeakPolarHBondContact O-CA 3.41Å; Y639-K642 WeakPolarHBondContact O-CB 3.35Å; Y639-K642 PolarHBondContact O-N 2.93Å; E640-K642 PolarHBondContact O-N 3.35Å; K642-K645 PolarHBondContact O-N 3.07Å; K642-L646 WeakPolarHBondContact O-CB 3.23Å; K642-L646 VanDerWaalsContact O-CG 3.3Å; K642-L646 WeakPolarHBondContact O-CG 3.37Å; K642-L646 PolarHBondContact O-N 3.49Å
643V86.1Confident85.4Confident71 Ų7197.3 Ų97.343%0.4349%0.492SS..Hα-helixtrans-62.1-55.4174.3171.10000109.1Y639 E640 K645 L646 E647Y639-V643 WeakPolarHBondContact O-CG2 3.4Å; Y639-V643 PolarHBondContact O-N 3.47Å; E640-V643 PolarHBondContact O-N 3.19Å; E640-V643 VanDerWaalsContact O-N 3.12Å; V643-K645 PolarHBondContact O-N 3.46Å; V643-K645 VanDerWaalsContact O-N 3.14Å; V643-L646 CarbonylContact O-C 3.59Å; V643-L646 WeakPolarHBondContact O-CA 3.34Å; V643-L646 PolarHBondContact O-N 3.21Å; V643-E647 HydrophobicContact CG1-CG 4.24Å; V643-E647 WeakPolarHBondContact CG1-OE1 3.33Å; V643-E647 WeakPolarHBondContact O-CG 3.48Å; V643-E647 PolarHBondContact O-N 3.13Å
644N89.3Confident85.8Confident73 Ų7398.9 Ų98.939%0.3949%0.49SS..Hα-helixtrans-57.7-34.4179.4-583.7000112E640 L648E640-N644 WeakPolarHBondContact O-CB 3.18Å; E640-N644 PolarHBondContact O-N 2.92Å; E640-N644 PolarHBondContact O-OD1 3.43Å; E640-N644 VanDerWaalsContact O-OD1 3.1Å; N644-L648 WeakPolarHBondContact O-CB 3.41Å; N644-L648 VanDerWaalsContact O-CG 3.29Å; N644-L648 WeakPolarHBondContact O-CG 3.34Å; N644-L648 PolarHBondContact O-N 3.19Å
645K90.9Very high86Confident119 Ų11997.8 Ų97.852%0.51749%0.487SS..Hα-helixtrans-68-45.4172.8-173.9176.9-177.3-103.30112.5I641 K642 V643 E647 L648 E649I641-K645 WeakPolarHBondContact O-CB 3.37Å; I641-K645 PolarHBondContact O-N 2.93Å; I641-K645 VanDerWaalsContact O-N 3.12Å; K642-K645 PolarHBondContact O-N 3.07Å; V643-K645 PolarHBondContact O-N 3.46Å; V643-K645 VanDerWaalsContact O-N 3.14Å; K645-E647 VanDerWaalsContact C-N 3.32Å; K645-L648 PolarHBondContact O-N 2.83Å; K645-E649 WeakPolarHBondContact CE-OE1 3.32Å; K645-E649 IonicContact NZ-OE1 3.69Å; K645-E649 PolarHBondContact NZ-OE1 2.86Å; K645-E649 IonicContact NZ-OE2 2.92Å; K645-E649 WeakPolarHBondContact O-CG 3.47Å; K645-E649 PolarHBondContact O-N 3.08Å
646L88.4Confident86.1Confident110 Ų11097.8 Ų97.858%0.57649%0.485SS*.Hα-helixtrans-67.5-33.7178.9-72.6169000111.9K642 V643 E649 L650K642-L646 WeakPolarHBondContact O-CB 3.23Å; K642-L646 VanDerWaalsContact O-CG 3.3Å; K642-L646 WeakPolarHBondContact O-CG 3.37Å; K642-L646 PolarHBondContact O-N 3.49Å; V643-L646 CarbonylContact O-C 3.59Å; V643-L646 WeakPolarHBondContact O-CA 3.34Å; V643-L646 PolarHBondContact O-N 3.21Å; L646-E649 PolarHBondContact O-N 2.93Å; L646-L650 WeakPolarHBondContact O-CB 3.46Å; L646-L650 PolarHBondContact O-N 3.45Å
647E85.9Confident86.3Confident110 Ų11099.3 Ų99.351%0.51449%0.487SS..Hα-helixtrans-65.6-44.4172-71.4175.4166.200111.5V643 K645 L650 E651V643-E647 HydrophobicContact CG1-CG 4.24Å; V643-E647 WeakPolarHBondContact CG1-OE1 3.33Å; V643-E647 WeakPolarHBondContact O-CG 3.48Å; V643-E647 PolarHBondContact O-N 3.13Å; K645-E647 VanDerWaalsContact C-N 3.32Å; E647-L650 PolarHBondContact O-N 2.98Å; E647-E651 WeakPolarHBondContact O-CB 3.25Å; E647-E651 PolarHBondContact O-N 3.33Å
648L88.1Confident86.6Confident128 Ų12897.1 Ų97.167%0.6748%0.483SS*.Hα-helixtrans-63.5-40173-75.7167.6000112.6N644 K645 S652N644-L648 WeakPolarHBondContact O-CB 3.41Å; N644-L648 VanDerWaalsContact O-CG 3.29Å; N644-L648 WeakPolarHBondContact O-CG 3.34Å; N644-L648 PolarHBondContact O-N 3.19Å; K645-L648 PolarHBondContact O-N 2.83Å; L648-S652 VanDerWaalsContact O-CB 3.3Å; L648-S652 WeakPolarHBondContact O-CB 3.43Å; L648-S652 PolarHBondContact O-N 3.33Å; L648-S652 PolarHBondContact O-OG 3.1Å
649E88.2Confident86.7Confident90 Ų9098.1 Ų98.142%0.42148%0.483SS..Hα-helixtrans-64.9-43.4175.2-75.3178168.100111.1K645 L646 S652 A653K645-E649 WeakPolarHBondContact CE-OE1 3.32Å; K645-E649 IonicContact NZ-OE1 3.69Å; K645-E649 PolarHBondContact NZ-OE1 2.86Å; K645-E649 IonicContact NZ-OE2 2.92Å; K645-E649 WeakPolarHBondContact O-CG 3.47Å; K645-E649 PolarHBondContact O-N 3.08Å; L646-E649 PolarHBondContact O-N 2.93Å; E649-S652 PolarHBondContact O-N 3.36Å; E649-S652 PolarHBondContact O-OG 3.02Å; E649-A653 PolarHBondContact O-N 2.97Å; E649-A653 VanDerWaalsContact O-N 3.09Å
650L85.7Confident87Confident100 Ų10095.5 Ų95.552%0.52448%0.477SS..Hα-helixtrans-62.4-46.7175.1177.264.4000112.3L646 E647 A653 K654L646-L650 WeakPolarHBondContact O-CB 3.46Å; L646-L650 PolarHBondContact O-N 3.45Å; E647-L650 PolarHBondContact O-N 2.98Å; L650-A653 WeakPolarHBondContact O-CB 3.18Å; L650-A653 PolarHBondContact O-N 3.03Å; L650-A653 VanDerWaalsContact O-N 3.09Å; L650-K654 PolarHBondContact O-N 3.3Å
651E88.3Confident87.1Confident105 Ų10594.8 Ų94.849%0.49148%0.479SS..Hα-helixtrans-67-38.8179.9-152.861.6-14200111E647 A653 K654 Q655E647-E651 WeakPolarHBondContact O-CB 3.25Å; E647-E651 PolarHBondContact O-N 3.33Å; E651-A653 PolarHBondContact O-N 2.95Å; E651-K654 PolarHBondContact O-N 2.66Å; E651-K654 WeakPolarHBondContact OE1-CD 3.28Å; E651-K654 IonicContact OE1-NZ 3.23Å; E651-K654 WeakPolarHBondContact OE2-CE 3.4Å; E651-K654 IonicContact OE2-NZ 2.84Å; E651-K654 PolarHBondContact OE2-NZ 3.39Å; E651-Q655 WeakPolarHBondContact O-CB 3.49Å; E651-Q655 PolarHBondContact O-N 2.9Å
652S86Confident87.2Confident47 Ų4795 Ų9533%0.32948%0.482SS..Hα-helixtrans-65.1-20.9172.585.50000113.7L648 E649 K656L648-S652 VanDerWaalsContact O-CB 3.3Å; L648-S652 WeakPolarHBondContact O-CB 3.43Å; L648-S652 PolarHBondContact O-N 3.33Å; L648-S652 PolarHBondContact O-OG 3.1Å; E649-S652 PolarHBondContact O-N 3.36Å; E649-S652 PolarHBondContact O-OG 3.02Å; S652-K656 VanDerWaalsContact O-CD 3.26Å; S652-K656 WeakPolarHBondContact O-CD 3.4Å; S652-K656 WeakPolarHBondContact O-CE 3.47Å; S652-K656 VanDerWaalsContact O-CG 3.31Å; S652-K656 WeakPolarHBondContact O-CG 3.49Å
653A87.2Confident87.2Confident36 Ų3693.6 Ų93.630%0.29848%0.483SS..Hα-helixtrans-83.7-44.9172.500000110.9E649 L650 E651 Q655 K656 F657E649-A653 PolarHBondContact O-N 2.97Å; E649-A653 VanDerWaalsContact O-N 3.09Å; L650-A653 WeakPolarHBondContact O-CB 3.18Å; L650-A653 PolarHBondContact O-N 3.03Å; L650-A653 VanDerWaalsContact O-N 3.09Å; E651-A653 PolarHBondContact O-N 2.95Å; A653-Q655 VanDerWaalsContact C-N 3.33Å; A653-Q655 PolarHBondContact O-N 3.47Å; A653-K656 PolarHBondContact O-N 3.15Å; A653-F657 HydrophobicContact CB-CE2 4.43Å; A653-F657 WeakPolarHBondContact O-CD2 3.47Å; A653-F657 PolarHBondContact O-N 2.88Å
654K84.2Confident87.2Confident107 Ų10796.8 Ų96.847%0.46549%0.488SS..Hα-helixtrans-55.8-46.6172.7-68.4-177.6-161.7158.70111.8L650 E651 K656 F657 G658L650-K654 PolarHBondContact O-N 3.3Å; E651-K654 PolarHBondContact O-N 2.66Å; E651-K654 WeakPolarHBondContact OE1-CD 3.28Å; E651-K654 IonicContact OE1-NZ 3.23Å; E651-K654 WeakPolarHBondContact OE2-CE 3.4Å; E651-K654 IonicContact OE2-NZ 2.84Å; E651-K654 PolarHBondContact OE2-NZ 3.39Å; K654-K656 VanDerWaalsContact C-N 3.33Å; K654-K656 PolarHBondContact O-N 3.29Å; K654-F657 PolarHBondContact O-N 2.8Å; K654-F657 VanDerWaalsContact O-N 3.15Å; K654-G658 PolarHBondContact O-N 2.83Å
655Q88.4Confident87.1Confident120 Ų12098.8 Ų98.856%0.56150%0.495SS*.Hα-helixtrans-56.3-47.9177.8-176.3-174.7-22.700110.9E651 A653 F657 G658 E659E651-Q655 WeakPolarHBondContact O-CB 3.49Å; E651-Q655 PolarHBondContact O-N 2.9Å; A653-Q655 VanDerWaalsContact C-N 3.33Å; A653-Q655 PolarHBondContact O-N 3.47Å; Q655-F657 VanDerWaalsContact C-N 3.35Å; Q655-F657 PolarHBondContact O-N 2.91Å; Q655-G658 PolarHBondContact O-N 3.46Å; Q655-E659 HydrophobicContact CG-CG 4.48Å; Q655-E659 WeakPolarHBondContact CG-OE1 3.38Å; Q655-E659 PolarHBondContact NE2-OE1 3.2Å; Q655-E659 WeakPolarHBondContact O-CG 3.35Å; Q655-E659 PolarHBondContact O-N 2.85Å
656K82Confident87Confident116 Ų11699.5 Ų99.550%0.50450%0.498SS..Hα-helixtrans-64.6-36.2177.4-71.4167.2-170.3148.50112.9S652 A653 K654 I660S652-K656 VanDerWaalsContact O-CD 3.26Å; S652-K656 WeakPolarHBondContact O-CD 3.4Å; S652-K656 WeakPolarHBondContact O-CE 3.47Å; S652-K656 VanDerWaalsContact O-CG 3.31Å; S652-K656 WeakPolarHBondContact O-CG 3.49Å; A653-K656 PolarHBondContact O-N 3.15Å; K654-K656 VanDerWaalsContact C-N 3.33Å; K654-K656 PolarHBondContact O-N 3.29Å; K656-I660 WeakPolarHBondContact O-CB 3.38Å; K656-I660 WeakPolarHBondContact O-CD1 3.32Å; K656-I660 WeakPolarHBondContact O-CG1 3.08Å; K656-I660 PolarHBondContact O-N 3.06Å
657F83.3Confident87Confident145 Ų14598.3 Ų98.364%0.63649%0.49SS*.Hα-helixtrans-66.5-39.6173.2-73.8-59.2000111.6A653 K654 Q655 I660 T661A653-F657 HydrophobicContact CB-CE2 4.43Å; A653-F657 WeakPolarHBondContact O-CD2 3.47Å; A653-F657 PolarHBondContact O-N 2.88Å; K654-F657 PolarHBondContact O-N 2.8Å; K654-F657 VanDerWaalsContact O-N 3.15Å; Q655-F657 VanDerWaalsContact C-N 3.35Å; Q655-F657 PolarHBondContact O-N 2.91Å; F657-I660 PolarHBondContact O-N 3.09Å; F657-T661 WeakPolarHBondContact O-CB 3.33Å; F657-T661 PolarHBondContact O-N 2.99Å; F657-T661 PolarHBondContact O-OG1 3.14Å
658G89.3Confident87Confident31 Ų3197.8 Ų97.832%0.3249%0.49SS..Hα-helixtrans-59.2-54.4171.100000111.9K654 Q655 I660 T661 D662K654-G658 PolarHBondContact O-N 2.83Å; Q655-G658 PolarHBondContact O-N 3.46Å; G658-I660 VanDerWaalsContact C-N 3.28Å; G658-I660 PolarHBondContact O-N 3.3Å; G658-T661 CarbonylContact O-C 3.57Å; G658-T661 PolarHBondContact O-N 2.9Å; G658-T661 VanDerWaalsContact O-N 3.1Å; G658-D662 WeakPolarHBondContact O-CB 3.4Å; G658-D662 PolarHBondContact O-N 3.33Å
659E87.3Confident87.1Confident98 Ų9895.3 Ų95.346%0.45848%0.475SS..Hα-helixtrans-54.1-42.6176.5-71.2167.2-179.900112.2Q655 T663Q655-E659 HydrophobicContact CG-CG 4.48Å; Q655-E659 WeakPolarHBondContact CG-OE1 3.38Å; Q655-E659 PolarHBondContact NE2-OE1 3.2Å; Q655-E659 WeakPolarHBondContact O-CG 3.35Å; Q655-E659 PolarHBondContact O-N 2.85Å; E659-T663 WeakPolarHBondContact O-CG2 3.33Å; E659-T663 PolarHBondContact O-N 3.46Å; E659-T663 PolarHBondContact O-OG1 3.33Å
660I86.5Confident87.1Confident80 Ų8095 Ų9541%0.4148%0.476SS..Hα-helixtrans-66.4-47.3176.2-72.1165.8000111.1K656 F657 G658 D662 T663 Y664K656-I660 WeakPolarHBondContact O-CB 3.38Å; K656-I660 WeakPolarHBondContact O-CD1 3.32Å; K656-I660 WeakPolarHBondContact O-CG1 3.08Å; K656-I660 PolarHBondContact O-N 3.06Å; F657-I660 PolarHBondContact O-N 3.09Å; G658-I660 VanDerWaalsContact C-N 3.28Å; G658-I660 PolarHBondContact O-N 3.3Å; I660-D662 VanDerWaalsContact C-N 3.35Å; I660-D662 PolarHBondContact O-N 3.33Å; I660-T663 WeakPolarHBondContact CA-OG1 3.44Å; I660-T663 PolarHBondContact O-N 2.99Å; I660-T663 PolarHBondContact O-OG1 2.94Å; I660-Y664 HydrophobicContact CG2-CD2 3.74Å; I660-Y664 HydrophobicContact CG2-CE2 3.41Å; I660-Y664 VanDerWaalsContact CG2-CE2 3.41Å; I660-Y664 WeakPolarHBondContact O-CD2 3.43Å; I660-Y664 PolarHBondContact O-N 3.46Å
661T87.3Confident87.2Confident84 Ų8496 Ų9652%0.51548%0.476SS..Hα-helixtrans-59.5-44.3176.1-71.30000111.5F657 G658 T663 Y664 Q665F657-T661 WeakPolarHBondContact O-CB 3.33Å; F657-T661 PolarHBondContact O-N 2.99Å; F657-T661 PolarHBondContact O-OG1 3.14Å; G658-T661 CarbonylContact O-C 3.57Å; G658-T661 PolarHBondContact O-N 2.9Å; G658-T661 VanDerWaalsContact O-N 3.1Å; T661-T663 PolarHBondContact O-N 2.86Å; T661-Y664 PolarHBondContact O-N 2.77Å; T661-Q665 VanDerWaalsContact O-CB 3.29Å; T661-Q665 WeakPolarHBondContact O-CB 3.24Å; T661-Q665 PolarHBondContact O-N 2.64Å
662D89.5Confident87.2Confident110 Ų11095.8 Ų95.859%0.58847%0.473SS*.Hα-helixtrans-63.4-39.5177.2-69.5-21.4000111.5G658 I660 Q665 K666G658-D662 WeakPolarHBondContact O-CB 3.4Å; G658-D662 PolarHBondContact O-N 3.33Å; I660-D662 VanDerWaalsContact C-N 3.35Å; I660-D662 PolarHBondContact O-N 3.33Å; D662-Q665 PolarHBondContact O-N 3.34Å; D662-K666 WeakPolarHBondContact O-CB 3.33Å; D662-K666 PolarHBondContact O-N 2.76Å
663T89.4Confident87.3Confident85 Ų8597.3 Ų97.352%0.52148%0.477SS..Hα-helixtrans-64.6-41.7174.454.40000112.8E659 I660 T661 K666 E667E659-T663 WeakPolarHBondContact O-CG2 3.33Å; E659-T663 PolarHBondContact O-N 3.46Å; E659-T663 PolarHBondContact O-OG1 3.33Å; I660-T663 WeakPolarHBondContact CA-OG1 3.44Å; I660-T663 PolarHBondContact O-N 2.99Å; I660-T663 PolarHBondContact O-OG1 2.94Å; T661-T663 PolarHBondContact O-N 2.86Å; T663-K666 PolarHBondContact O-N 2.89Å; T663-E667 WeakPolarHBondContact O-CB 3.39Å; T663-E667 PolarHBondContact O-N 2.94Å
664Y86.2Confident87.1Confident139 Ų13998.4 Ų98.455%0.54548%0.482SS..Hα-helixtrans-69.7-40.1175.6-71.4-49.3000112.5I660 T661 K666 E667 I668I660-Y664 HydrophobicContact CG2-CD2 3.74Å; I660-Y664 HydrophobicContact CG2-CE2 3.41Å; I660-Y664 VanDerWaalsContact CG2-CE2 3.41Å; I660-Y664 WeakPolarHBondContact O-CD2 3.43Å; I660-Y664 PolarHBondContact O-N 3.46Å; T661-Y664 PolarHBondContact O-N 2.77Å; Y664-K666 VanDerWaalsContact C-N 3.27Å; Y664-K666 PolarHBondContact O-N 3.23Å; Y664-E667 PolarHBondContact O-N 3.13Å; Y664-I668 WeakPolarHBondContact O-CB 3.47Å; Y664-I668 WeakPolarHBondContact O-CD1 3.23Å; Y664-I668 VanDerWaalsContact O-CG1 3.26Å; Y664-I668 WeakPolarHBondContact O-CG1 3.35Å; Y664-I668 PolarHBondContact O-N 2.81Å
665Q87.3Confident87.1Confident115 Ų115100 Ų10054%0.53749%0.491SS..Hα-helixtrans-60.1-41.1176-169.567.236.700110.6T661 D662 E669T661-Q665 VanDerWaalsContact O-CB 3.29Å; T661-Q665 WeakPolarHBondContact O-CB 3.24Å; T661-Q665 PolarHBondContact O-N 2.64Å; D662-Q665 PolarHBondContact O-N 3.34Å; Q665-E669 PolarHBondContact O-N 3.3Å
666K89.7Confident87.1Confident133 Ų133100.8 Ų100.858%0.57850%0.495SS*.Hα-helixtrans-68.2-45173.9-166.8-169.1175-1560112.2D662 T663 Y664 I668 E669 D670D662-K666 WeakPolarHBondContact O-CB 3.33Å; D662-K666 PolarHBondContact O-N 2.76Å; T663-K666 PolarHBondContact O-N 2.89Å; Y664-K666 VanDerWaalsContact C-N 3.27Å; Y664-K666 PolarHBondContact O-N 3.23Å; K666-I668 PolarHBondContact O-N 3.35Å; K666-E669 PolarHBondContact O-N 2.83Å; K666-E669 VanDerWaalsContact O-N 3.14Å; K666-D670 VanDerWaalsContact CE-OD2 3.24Å; K666-D670 WeakPolarHBondContact CE-OD2 3.38Å; K666-D670 IonicContact NZ-OD2 2.68Å; K666-D670 WeakPolarHBondContact O-CB 3.49Å; K666-D670 PolarHBondContact O-N 3.46Å
667E87Confident87.2Confident86 Ų8699.3 Ų99.340%0.40249%0.493SS..Hα-helixtrans-59.4-36.2178.4-165.1-166.4145.800111.9T663 Y664 K671T663-E667 WeakPolarHBondContact O-CB 3.39Å; T663-E667 PolarHBondContact O-N 2.94Å; Y664-E667 PolarHBondContact O-N 3.13Å; E667-K671 HydrophobicContact CG-CD 4.33Å; E667-K671 VanDerWaalsContact O-CB 3.23Å; E667-K671 WeakPolarHBondContact O-CB 3.48Å; E667-K671 WeakPolarHBondContact O-CD 3.46Å; E667-K671 VanDerWaalsContact O-CG 3.22Å; E667-K671 WeakPolarHBondContact O-CG 3.34Å; E667-K671 PolarHBondContact O-N 3.01Å; E667-K671 WeakPolarHBondContact OE1-CE 3.25Å; E667-K671 IonicContact OE1-NZ 3.13Å; E667-K671 PolarHBondContact OE1-NZ 3.2Å
668I86.5Confident87.2Confident99 Ų9997 Ų9751%0.50849%0.487SS..Hα-helixtrans-65.8-46174.3-70.8163.9000111.2Y664 K666 K671 K672Y664-I668 WeakPolarHBondContact O-CB 3.47Å; Y664-I668 WeakPolarHBondContact O-CD1 3.23Å; Y664-I668 VanDerWaalsContact O-CG1 3.26Å; Y664-I668 WeakPolarHBondContact O-CG1 3.35Å; Y664-I668 PolarHBondContact O-N 2.81Å; K666-I668 PolarHBondContact O-N 3.35Å; I668-K671 PolarHBondContact O-N 3.09Å; I668-K672 VanDerWaalsContact O-CB 3.28Å; I668-K672 WeakPolarHBondContact O-CB 3.43Å; I668-K672 PolarHBondContact O-N 3.4Å
669E90.3Very high87.1Confident76 Ų76101.3 Ų101.336%0.35550%0.502SS..Hα-helixtrans-71.8-40.3-179.1-162.364.6-150.600111.8Q665 K666 K671 K672 I673Q665-E669 PolarHBondContact O-N 3.3Å; K666-E669 PolarHBondContact O-N 2.83Å; K666-E669 VanDerWaalsContact O-N 3.14Å; E669-K671 VanDerWaalsContact C-N 3.32Å; E669-K671 PolarHBondContact O-N 3.45Å; E669-K672 PolarHBondContact O-N 2.91Å; E669-K672 IonicContact OE1-NZ 3.89Å; E669-K672 PolarHBondContact OE1-NZ 2.7Å; E669-K672 IonicContact OE2-NZ 2.65Å; E669-K672 PolarHBondContact OE2-NZ 2.91Å; E669-I673 HydrophobicContact CG-CD1 4.35Å; E669-I673 WeakPolarHBondContact O-CB 3.4Å; E669-I673 VanDerWaalsContact O-CG1 3.28Å; E669-I673 WeakPolarHBondContact O-CG1 3.22Å; E669-I673 PolarHBondContact O-N 3.27Å
670D87.7Confident87Confident83 Ų83101.7 Ų101.744%0.44450%0.504SS..Hα-helixtrans-59.6-41.3172.1-74.2-19.2000110.7K666 S674K666-D670 VanDerWaalsContact CE-OD2 3.24Å; K666-D670 WeakPolarHBondContact CE-OD2 3.38Å; K666-D670 IonicContact NZ-OD2 2.68Å; K666-D670 WeakPolarHBondContact O-CB 3.49Å; K666-D670 PolarHBondContact O-N 3.46Å; D670-S674 PolarHBondContact O-N 2.86Å
671K87.8Confident86.8Confident120 Ų120103.7 Ų103.752%0.52251%0.511SS..Hα-helixtrans-65.4-46.7174.2-83.1170.6170.4170.60112.6E667 I668 E669 I673 S674 E675E667-K671 HydrophobicContact CG-CD 4.33Å; E667-K671 VanDerWaalsContact O-CB 3.23Å; E667-K671 WeakPolarHBondContact O-CB 3.48Å; E667-K671 WeakPolarHBondContact O-CD 3.46Å; E667-K671 VanDerWaalsContact O-CG 3.22Å; E667-K671 WeakPolarHBondContact O-CG 3.34Å; E667-K671 PolarHBondContact O-N 3.01Å; E667-K671 WeakPolarHBondContact OE1-CE 3.25Å; E667-K671 IonicContact OE1-NZ 3.13Å; E667-K671 PolarHBondContact OE1-NZ 3.2Å; I668-K671 PolarHBondContact O-N 3.09Å; E669-K671 VanDerWaalsContact C-N 3.32Å; E669-K671 PolarHBondContact O-N 3.45Å; K671-I673 VanDerWaalsContact C-N 3.34Å; K671-I673 PolarHBondContact O-N 3.41Å; K671-S674 CarbonylContact O-C 3.57Å; K671-S674 WeakPolarHBondContact O-CA 3.33Å; K671-S674 WeakPolarHBondContact O-CB 3.42Å; K671-S674 PolarHBondContact O-N 3.01Å; K671-S674 PolarHBondContact O-OG 3.19Å; K671-E675 PolarHBondContact O-N 2.85Å
672K87.6Confident86.5Confident102 Ų102104 Ų10444%0.44351%0.513SS..Hα-helixtrans-60.4-40.4177.7171175158.6-120.20112.2I668 E669 S674 E675 E676I668-K672 VanDerWaalsContact O-CB 3.28Å; I668-K672 WeakPolarHBondContact O-CB 3.43Å; I668-K672 PolarHBondContact O-N 3.4Å; E669-K672 PolarHBondContact O-N 2.91Å; E669-K672 IonicContact OE1-NZ 3.89Å; E669-K672 PolarHBondContact OE1-NZ 2.7Å; E669-K672 IonicContact OE2-NZ 2.65Å; E669-K672 PolarHBondContact OE2-NZ 2.91Å; K672-S674 VanDerWaalsContact C-N 3.34Å; K672-E675 PolarHBondContact O-N 2.84Å; K672-E676 PolarHBondContact O-N 3.48Å
673I88.5Confident86.3Confident79 Ų79103.3 Ų103.341%0.40551%0.506SS..Hα-helixtrans-63.8-40171.6-68.5163.6000110.6E669 K671 E675 E676 N677E669-I673 HydrophobicContact CG-CD1 4.35Å; E669-I673 WeakPolarHBondContact O-CB 3.4Å; E669-I673 VanDerWaalsContact O-CG1 3.28Å; E669-I673 WeakPolarHBondContact O-CG1 3.22Å; E669-I673 PolarHBondContact O-N 3.27Å; K671-I673 VanDerWaalsContact C-N 3.34Å; K671-I673 PolarHBondContact O-N 3.41Å; I673-E675 VanDerWaalsContact C-N 3.34Å; I673-E676 PolarHBondContact O-N 2.94Å; I673-N677 WeakPolarHBondContact CG2-ND2 3.25Å; I673-N677 PolarHBondContact O-N 3.39Å; I673-N677 PolarHBondContact O-ND2 2.88Å
674S83.9Confident86.1Confident59 Ų59103.9 Ų103.941%0.41350%0.501SS..Hα-helixtrans-66.5-34.3175.480.50000113.2D670 K671 K672 L678D670-S674 PolarHBondContact O-N 2.86Å; K671-S674 CarbonylContact O-C 3.57Å; K671-S674 WeakPolarHBondContact O-CA 3.33Å; K671-S674 WeakPolarHBondContact O-CB 3.42Å; K671-S674 PolarHBondContact O-N 3.01Å; K671-S674 PolarHBondContact O-OG 3.19Å; K672-S674 VanDerWaalsContact C-N 3.34Å; S674-L678 WeakPolarHBondContact O-CB 3.47Å; S674-L678 VanDerWaalsContact O-CG 3.27Å; S674-L678 WeakPolarHBondContact O-CG 3.47Å; S674-L678 PolarHBondContact O-N 3.46Å
675E84.8Confident85.8Confident140 Ų140100 Ų10065%0.65450%0.498SS*.Hα-helixtrans-68.3-43.9174.9-175.9175.6-166.100111.6K671 K672 I673 L678 L679K671-E675 PolarHBondContact O-N 2.85Å; K672-E675 PolarHBondContact O-N 2.84Å; I673-E675 VanDerWaalsContact C-N 3.34Å; E675-L678 PolarHBondContact O-N 2.92Å; E675-L679 WeakPolarHBondContact O-CB 3.25Å; E675-L679 PolarHBondContact O-N 3.36Å
676E87.3Confident85.7Confident136 Ų13699.6 Ų99.664%0.63649%0.494SS*.Hα-helixtrans-63.5-41.3176.1-172.2167.9-157.200112.1K672 I673 L679 E680K672-E676 PolarHBondContact O-N 3.48Å; I673-E676 PolarHBondContact O-N 2.94Å; E676-L679 PolarHBondContact O-N 3.08Å; E676-E680 PolarHBondContact O-N 3.32Å
677N84.6Confident85.6Confident86 Ų8696.7 Ų96.746%0.4649%0.487SS..Hα-helixtrans-62.9-44.3173.4-74.8-57.6000112.2I673 L679 E680 E681I673-N677 WeakPolarHBondContact CG2-ND2 3.25Å; I673-N677 PolarHBondContact O-N 3.39Å; I673-N677 PolarHBondContact O-ND2 2.88Å; N677-L679 VanDerWaalsContact C-N 3.32Å; N677-L679 PolarHBondContact O-N 3.47Å; N677-E680 PolarHBondContact O-N 2.89Å; N677-E681 PolarHBondContact O-N 3.02Å
678L82.8Confident85.6Confident96 Ų9698.1 Ų98.150%0.50350%0.497SS..Hα-helixtrans-64.9-35.8176.4-75168.7000112S674 E675 E681 V682S674-L678 WeakPolarHBondContact O-CB 3.47Å; S674-L678 VanDerWaalsContact O-CG 3.27Å; S674-L678 WeakPolarHBondContact O-CG 3.47Å; S674-L678 PolarHBondContact O-N 3.46Å; E675-L678 PolarHBondContact O-N 2.92Å; L678-E681 PolarHBondContact O-N 2.99Å; L678-V682 WeakPolarHBondContact O-CB 3.38Å; L678-V682 VanDerWaalsContact O-CG2 3.3Å; L678-V682 WeakPolarHBondContact O-CG2 3.43Å; L678-V682 PolarHBondContact O-N 3.38Å
679L87.3Confident85.4Confident122 Ų12296 Ų9664%0.63949%0.493SS*.Hα-helixtrans-64.3-41.1173.7-16675.7000111.3E675 E676 N677 V682 E683E675-L679 WeakPolarHBondContact O-CB 3.25Å; E675-L679 PolarHBondContact O-N 3.36Å; E676-L679 PolarHBondContact O-N 3.08Å; N677-L679 VanDerWaalsContact C-N 3.32Å; N677-L679 PolarHBondContact O-N 3.47Å; L679-V682 PolarHBondContact O-N 3.27Å; L679-E683 PolarHBondContact O-N 3.09Å
680E84.7Confident85.2Confident106 Ų10696.5 Ų96.550%0.49550%0.499SS..Hα-helixtrans-65.9-39.4175.6-147.9-149.5157.700111.8E676 N677 E683 K684E676-E680 PolarHBondContact O-N 3.32Å; N677-E680 PolarHBondContact O-N 2.89Å; E680-E683 PolarHBondContact O-N 3.49Å; E680-K684 WeakPolarHBondContact O-CB 3.25Å; E680-K684 WeakPolarHBondContact O-CD 3.3Å; E680-K684 WeakPolarHBondContact O-CG 3.45Å; E680-K684 PolarHBondContact O-N 2.98Å; E680-K684 WeakPolarHBondContact OE1-CE 3.48Å; E680-K684 IonicContact OE1-NZ 2.69Å; E680-K684 PolarHBondContact OE1-NZ 3.35Å; E680-K684 IonicContact OE2-NZ 3.99Å; E680-K684 PolarHBondContact OE2-NZ 3.09Å
681E83.2Confident85.2Confident121 Ų12197.8 Ų97.857%0.56550%0.502SS*.Hα-helixtrans-63.9-41.7172.5-75.1-174.2173.500112.7N677 L678 K684 A685N677-E681 PolarHBondContact O-N 3.02Å; L678-E681 PolarHBondContact O-N 2.99Å; E681-K684 PolarHBondContact O-N 3.41Å; E681-A685 WeakPolarHBondContact O-CB 3.44Å; E681-A685 PolarHBondContact O-N 3.39Å
682V79.9Confident84.9Confident91 Ų9194.7 Ų94.755%0.55250%0.499SS*.Hα-helixtrans-63.4-43.4175.8165.90000111.2L678 L679 A685 K686L678-V682 WeakPolarHBondContact O-CB 3.38Å; L678-V682 VanDerWaalsContact O-CG2 3.3Å; L678-V682 WeakPolarHBondContact O-CG2 3.43Å; L678-V682 PolarHBondContact O-N 3.38Å; L679-V682 PolarHBondContact O-N 3.27Å; V682-A685 PolarHBondContact O-N 2.88Å; V682-K686 WeakPolarHBondContact O-CB 3.37Å; V682-K686 PolarHBondContact O-N 3.44Å
683E85.9Confident84.9Confident95 Ų9592.9 Ų92.944%0.44450%0.496SS..Hα-helixtrans-69.1-36.5178.2-160.965.4-154.600111.5L679 E680 K686 V687L679-E683 PolarHBondContact O-N 3.09Å; E680-E683 PolarHBondContact O-N 3.49Å; E683-K686 PolarHBondContact O-N 2.92Å; E683-K686 IonicContact OE1-NZ 2.61Å; E683-K686 PolarHBondContact OE1-NZ 3.15Å; E683-K686 WeakPolarHBondContact OE2-CD 3.5Å; E683-K686 IonicContact OE2-NZ 2.72Å; E683-K686 PolarHBondContact OE2-NZ 3.31Å; E683-V687 WeakPolarHBondContact O-CG2 3.43Å; E683-V687 PolarHBondContact O-N 3.32Å
684K85.9Confident84.9Confident98 Ų9895.1 Ų95.143%0.42650%0.503SS..Hα-helixtrans-60.7-48.7169.7-72.8161.4-171.4162.10111.8E680 E681 K686 V687 I688E680-K684 WeakPolarHBondContact O-CB 3.25Å; E680-K684 WeakPolarHBondContact O-CD 3.3Å; E680-K684 WeakPolarHBondContact O-CG 3.45Å; E680-K684 PolarHBondContact O-N 2.98Å; E680-K684 WeakPolarHBondContact OE1-CE 3.48Å; E680-K684 IonicContact OE1-NZ 2.69Å; E680-K684 PolarHBondContact OE1-NZ 3.35Å; E680-K684 IonicContact OE2-NZ 3.99Å; E680-K684 PolarHBondContact OE2-NZ 3.09Å; E681-K684 PolarHBondContact O-N 3.41Å; K684-K686 VanDerWaalsContact C-N 3.31Å; K684-K686 PolarHBondContact O-N 3.49Å; K684-V687 PolarHBondContact O-N 3.3Å; K684-I688 WeakPolarHBondContact O-CG1 3.37Å; K684-I688 PolarHBondContact O-N 2.88Å
685A79.5Confident85Confident57 Ų5797.4 Ų97.447%0.47151%0.51SS..Hα-helixtrans-62.3-38.4179.300000112.1E681 V682 I688 A689E681-A685 WeakPolarHBondContact O-CB 3.44Å; E681-A685 PolarHBondContact O-N 3.39Å; V682-A685 PolarHBondContact O-N 2.88Å; A685-I688 PolarHBondContact O-N 2.95Å; A685-A689 WeakPolarHBondContact O-CB 3.13Å; A685-A689 PolarHBondContact O-N 2.99Å
686K83.9Confident84.9Confident107 Ų10795.4 Ų95.447%0.46550%0.501SS..Hα-helixtrans-64.8-42.7174.5176.7-174.1170.9-1530112.4V682 E683 K684 A689 D690V682-K686 WeakPolarHBondContact O-CB 3.37Å; V682-K686 PolarHBondContact O-N 3.44Å; E683-K686 PolarHBondContact O-N 2.92Å; E683-K686 IonicContact OE1-NZ 2.61Å; E683-K686 PolarHBondContact OE1-NZ 3.15Å; E683-K686 WeakPolarHBondContact OE2-CD 3.5Å; E683-K686 IonicContact OE2-NZ 2.72Å; E683-K686 PolarHBondContact OE2-NZ 3.31Å; K684-K686 VanDerWaalsContact C-N 3.31Å; K684-K686 PolarHBondContact O-N 3.49Å; K686-A689 PolarHBondContact O-N 3.34Å; K686-D690 PolarHBondContact O-N 3.46Å
687V88.7Confident84.9Confident72 Ų7295 Ų9544%0.43650%0.497SS..Hα-helixtrans-61.8-44.6172.3169.80000111.1E683 K684 A689 D690 E691E683-V687 WeakPolarHBondContact O-CG2 3.43Å; E683-V687 PolarHBondContact O-N 3.32Å; K684-V687 PolarHBondContact O-N 3.3Å; V687-A689 VanDerWaalsContact C-N 3.34Å; V687-A689 PolarHBondContact O-N 3.11Å; V687-D690 PolarHBondContact O-N 2.95Å; V687-E691 WeakPolarHBondContact O-CG 3.27Å; V687-E691 PolarHBondContact O-N 2.84Å
688I86.6Confident85Confident116 Ų11694.3 Ų94.360%0.59549%0.491SS*.Hα-helixtrans-61.5-41.5176.4-67.8164.2000111.1K684 A685 E691 A692K684-I688 WeakPolarHBondContact O-CG1 3.37Å; K684-I688 PolarHBondContact O-N 2.88Å; A685-I688 PolarHBondContact O-N 2.95Å; I688-E691 PolarHBondContact O-N 2.92Å; I688-A692 WeakPolarHBondContact O-CB 3.49Å; I688-A692 PolarHBondContact O-N 2.58Å
689A81.9Confident85.2Confident53 Ų5393.3 Ų93.344%0.43849%0.485SS..Hα-helixtrans-64.2-43.6175.500000112.2A685 K686 V687 E691 A692 V693A685-A689 WeakPolarHBondContact O-CB 3.13Å; A685-A689 PolarHBondContact O-N 2.99Å; K686-A689 PolarHBondContact O-N 3.34Å; V687-A689 VanDerWaalsContact C-N 3.34Å; V687-A689 PolarHBondContact O-N 3.11Å; A689-E691 VanDerWaalsContact C-N 3.31Å; A689-E691 PolarHBondContact O-N 3.13Å; A689-A692 PolarHBondContact O-N 2.91Å; A689-V693 WeakPolarHBondContact O-CB 3.39Å; A689-V693 WeakPolarHBondContact O-CG2 3.48Å; A689-V693 PolarHBondContact O-N 3.38Å
690D86.1Confident85.2Confident87 Ų8790.6 Ų90.647%0.46547%0.471SS..Hα-helixtrans-63.3-35.5175.1-97.5-13.7000112.5K686 V687 K694K686-D690 PolarHBondContact O-N 3.46Å; V687-D690 PolarHBondContact O-N 2.95Å; D690-K694 VanDerWaalsContact O-CD 3.29Å; D690-K694 WeakPolarHBondContact O-CD 3.41Å; D690-K694 WeakPolarHBondContact O-CE 3.48Å; D690-K694 WeakPolarHBondContact O-CG 3.46Å; D690-K694 PolarHBondContact O-N 3.36Å
691E88Confident85.4Confident111 Ų11191.1 Ų91.152%0.51947%0.472SS..Hα-helixtrans-71.7-40.7173.3-71.3-166.9167.300112.8V687 I688 A689 V693 K694 L695V687-E691 WeakPolarHBondContact O-CG 3.27Å; V687-E691 PolarHBondContact O-N 2.84Å; I688-E691 PolarHBondContact O-N 2.92Å; A689-E691 VanDerWaalsContact C-N 3.31Å; A689-E691 PolarHBondContact O-N 3.13Å; E691-V693 VanDerWaalsContact C-N 3.33Å; E691-V693 PolarHBondContact O-N 2.73Å; E691-K694 PolarHBondContact O-N 3.02Å; E691-L695 WeakPolarHBondContact O-CB 3.29Å; E691-L695 WeakPolarHBondContact O-CG 3.41Å; E691-L695 PolarHBondContact O-N 3.37Å
692A81.8Confident85.5Confident54 Ų5491.8 Ų91.845%0.44647%0.469SS..Hα-helixtrans-60-42.217200000111.7I688 A689 L695 Q696I688-A692 WeakPolarHBondContact O-CB 3.49Å; I688-A692 PolarHBondContact O-N 2.58Å; A689-A692 PolarHBondContact O-N 2.91Å; A692-L695 PolarHBondContact O-N 3Å; A692-Q696 WeakPolarHBondContact O-CB 3.34Å; A692-Q696 PolarHBondContact O-N 3.05Å
693V88.2Confident85.7Confident65 Ų6590.6 Ų90.639%0.39446%0.464SS..Hα-helixtrans-66.3-35.6175.4168.10000112.1A689 E691 K697A689-V693 WeakPolarHBondContact O-CB 3.39Å; A689-V693 WeakPolarHBondContact O-CG2 3.48Å; A689-V693 PolarHBondContact O-N 3.38Å; E691-V693 VanDerWaalsContact C-N 3.33Å; E691-V693 PolarHBondContact O-N 2.73Å; V693-K697 HydrophobicContact CG1-CD 4.05Å; V693-K697 VanDerWaalsContact CG1-NZ 3.33Å; V693-K697 WeakPolarHBondContact O-CB 3.25Å; V693-K697 WeakPolarHBondContact O-CD 3.46Å; V693-K697 VanDerWaalsContact O-CG 3.27Å; V693-K697 WeakPolarHBondContact O-CG 3.46Å; V693-K697 PolarHBondContact O-N 3.44Å; V693-K697 VanDerWaalsContact O-N 3.11Å
694K86.9Confident85.7Confident125 Ų12592.3 Ų92.354%0.54347%0.472SS..Hα-helixtrans-66.5-43.3172.1-70.8158.4-159.3154.80111.3D690 E691 K697 E698D690-K694 VanDerWaalsContact O-CD 3.29Å; D690-K694 WeakPolarHBondContact O-CD 3.41Å; D690-K694 WeakPolarHBondContact O-CE 3.48Å; D690-K694 WeakPolarHBondContact O-CG 3.46Å; D690-K694 PolarHBondContact O-N 3.36Å; E691-K694 PolarHBondContact O-N 3.02Å; K694-K697 PolarHBondContact O-N 2.85Å; K694-E698 WeakPolarHBondContact O-CB 3.21Å; K694-E698 PolarHBondContact O-N 3.41Å; K694-E698 VanDerWaalsContact O-N 3.07Å
695L86.4Confident85.7Confident108 Ų10893.5 Ų93.557%0.56548%0.479SS*.Hα-helixtrans-63.7-43.2176.9-76.2169.3000111.9E691 A692 E698 I699E691-L695 WeakPolarHBondContact O-CB 3.29Å; E691-L695 WeakPolarHBondContact O-CG 3.41Å; E691-L695 PolarHBondContact O-N 3.37Å; A692-L695 PolarHBondContact O-N 3Å; L695-E698 PolarHBondContact O-N 3.45Å; L695-I699 WeakPolarHBondContact O-CG1 3.39Å; L695-I699 PolarHBondContact O-N 2.8Å
696Q83.6Confident86.3Confident97 Ų9796.6 Ų96.645%0.45348%0.482SS..Hα-helixtrans-58.8-52.2174.8-178.556.243.700111.1A692 E698 I699 D700A692-Q696 WeakPolarHBondContact O-CB 3.34Å; A692-Q696 PolarHBondContact O-N 3.05Å; Q696-E698 PolarHBondContact O-N 3.09Å; Q696-E698 VanDerWaalsContact O-N 3.11Å; Q696-I699 WeakPolarHBondContact O-CB 3.36Å; Q696-I699 PolarHBondContact O-N 2.92Å; Q696-D700 PolarHBondContact NE2-OD1 3.3Å; Q696-D700 PolarHBondContact NE2-OD2 3.39Å; Q696-D700 PolarHBondContact O-N 2.88Å
697K87Confident86.6Confident127 Ų12796.6 Ų96.655%0.55249%0.486SS*.Hα-helixtrans-58.7-26.3177.1-72.9167.4-178.8168.60113.3V693 K694 K701V693-K697 HydrophobicContact CG1-CD 4.05Å; V693-K697 VanDerWaalsContact CG1-NZ 3.33Å; V693-K697 WeakPolarHBondContact O-CB 3.25Å; V693-K697 WeakPolarHBondContact O-CD 3.46Å; V693-K697 VanDerWaalsContact O-CG 3.27Å; V693-K697 WeakPolarHBondContact O-CG 3.46Å; V693-K697 PolarHBondContact O-N 3.44Å; V693-K697 VanDerWaalsContact O-N 3.11Å; K694-K697 PolarHBondContact O-N 2.85Å; K697-K701 WeakPolarHBondContact O-CG 3.24Å; K697-K701 PolarHBondContact O-N 3.29Å
698E87.4Confident86.5Confident73 Ų7395.7 Ų95.734%0.34149%0.486SS..Hα-helixtrans-86.4-31.2176.5-173.655.8-151.700112.8K694 L695 Q696 K701 R702K694-E698 WeakPolarHBondContact O-CB 3.21Å; K694-E698 PolarHBondContact O-N 3.41Å; K694-E698 VanDerWaalsContact O-N 3.07Å; L695-E698 PolarHBondContact O-N 3.45Å; Q696-E698 PolarHBondContact O-N 3.09Å; Q696-E698 VanDerWaalsContact O-N 3.11Å; E698-K701 IonicContact OE2-NZ 2.74Å; E698-K701 PolarHBondContact OE2-NZ 3.03Å; E698-R702 WeakPolarHBondContact O-CG 3.37Å; E698-R702 PolarHBondContact O-N 2.88Å; E698-R702 IonicContact OE1-NH1 2.69Å
699I86.3Confident86.6Confident74 Ų7494.5 Ų94.538%0.37948%0.478SS..Hα-helixtrans-63.9-47.9167.1-69.3163.7000109.7L695 Q696 K701 R702 C703L695-I699 WeakPolarHBondContact O-CG1 3.39Å; L695-I699 PolarHBondContact O-N 2.8Å; Q696-I699 WeakPolarHBondContact O-CB 3.36Å; Q696-I699 PolarHBondContact O-N 2.92Å; I699-K701 VanDerWaalsContact C-N 3.34Å; I699-K701 PolarHBondContact O-N 3.03Å; I699-R702 WeakPolarHBondContact O-CA 3.4Å; I699-R702 WeakPolarHBondContact O-CB 3.41Å; I699-R702 PolarHBondContact O-N 3.48Å; I699-C703 PolarHBondContact O-N 2.91Å; I699-C703 PolarHBondContact O-SG 3.35Å
700D87Confident86.9Confident66 Ų6697.3 Ų97.335%0.35348%0.483SS..Hα-helixtrans-59.3-42.5179.6-67.8-36.3000112.1Q696 R702 C703 Q704Q696-D700 PolarHBondContact NE2-OD1 3.3Å; Q696-D700 PolarHBondContact NE2-OD2 3.39Å; Q696-D700 PolarHBondContact O-N 2.88Å; D700-R702 PolarHBondContact O-N 3.34Å; D700-C703 PolarHBondContact O-N 3.18Å; D700-Q704 WeakPolarHBondContact O-CB 3.43Å; D700-Q704 VanDerWaalsContact O-CG 3.3Å; D700-Q704 WeakPolarHBondContact O-CG 3.25Å; D700-Q704 PolarHBondContact O-N 2.9Å
701K89.8Confident87.1Confident116 Ų11696.7 Ų96.750%0.50448%0.482SS..Hα-helixtrans-59.2-43.2171.7-78.5-178.3-134.4151.60112.7K697 E698 I699 Q704 H705K697-K701 WeakPolarHBondContact O-CG 3.24Å; K697-K701 PolarHBondContact O-N 3.29Å; E698-K701 IonicContact OE2-NZ 2.74Å; E698-K701 PolarHBondContact OE2-NZ 3.03Å; I699-K701 VanDerWaalsContact C-N 3.34Å; I699-K701 PolarHBondContact O-N 3.03Å; K701-Q704 PolarHBondContact O-N 2.91Å; K701-H705 VanDerWaalsContact O-CB 3.32Å; K701-H705 WeakPolarHBondContact O-CB 3.23Å; K701-H705 PolarHBondContact O-N 3.04Å
702R84.8Confident87Confident136 Ų13694 Ų9451%0.51348%0.48SS..Hα-helixtrans-66.2-37.9177.4-73.4-173.1-66.5-112.43.6111.7E698 I699 D700 H705 K706E698-R702 WeakPolarHBondContact O-CG 3.37Å; E698-R702 PolarHBondContact O-N 2.88Å; E698-R702 IonicContact OE1-NH1 2.69Å; I699-R702 WeakPolarHBondContact O-CA 3.4Å; I699-R702 WeakPolarHBondContact O-CB 3.41Å; I699-R702 PolarHBondContact O-N 3.48Å; D700-R702 PolarHBondContact O-N 3.34Å; R702-H705 PolarHBondContact O-N 3.08Å; R702-K706 WeakPolarHBondContact O-CB 3.39Å; R702-K706 PolarHBondContact O-N 3.05Å
703C84.2Confident87.5Confident66 Ų6695.8 Ų95.845%0.44648%0.481SS..Hα-helixtrans-64.3-47.4172.9-69.40000111.7I699 D700 H705 K706 I707I699-C703 PolarHBondContact O-N 2.91Å; I699-C703 PolarHBondContact O-SG 3.35Å; D700-C703 PolarHBondContact O-N 3.18Å; C703-H705 VanDerWaalsContact C-N 3.34Å; C703-H705 PolarHBondContact O-N 2.9Å; C703-K706 WeakPolarHBondContact O-CB 3.3Å; C703-K706 PolarHBondContact O-N 3.33Å; C703-I707 WeakPolarHBondContact O-CG1 3.35Å; C703-I707 PolarHBondContact O-N 3.41Å
704Q85.4Confident87.3Confident131 Ų13198.8 Ų98.861%0.61249%0.492SS*.Hα-helixtrans-59.6-41.9174.6-72.5173.23.900112D700 K701 I707 A708D700-Q704 WeakPolarHBondContact O-CB 3.43Å; D700-Q704 VanDerWaalsContact O-CG 3.3Å; D700-Q704 WeakPolarHBondContact O-CG 3.25Å; D700-Q704 PolarHBondContact O-N 2.9Å; K701-Q704 PolarHBondContact O-N 2.91Å; Q704-I707 PolarHBondContact O-N 3.15Å; Q704-A708 PolarHBondContact O-N 2.95Å
705H87Confident87.4Confident123 Ų12398 Ų9857%0.56949%0.491SS*.Hα-helixtrans-63.3-42.4175.1-171.356.1000111.7K701 R702 C703 I707 A708 E709K701-H705 VanDerWaalsContact O-CB 3.32Å; K701-H705 WeakPolarHBondContact O-CB 3.23Å; K701-H705 PolarHBondContact O-N 3.04Å; R702-H705 PolarHBondContact O-N 3.08Å; C703-H705 VanDerWaalsContact C-N 3.34Å; C703-H705 PolarHBondContact O-N 2.9Å; H705-I707 VanDerWaalsContact C-N 3.35Å; H705-I707 PolarHBondContact O-N 3.39Å; H705-A708 PolarHBondContact O-N 3.34Å; H705-E709 PolarHBondContact O-N 3.43Å
706K91.5Very high87.6Confident121 Ų12199.1 Ų99.153%0.52649%0.491SS..Hα-helixtrans-62.8-39.8175.9-158.175.7-154.7156.40112.5R702 C703 E709 M710R702-K706 WeakPolarHBondContact O-CB 3.39Å; R702-K706 PolarHBondContact O-N 3.05Å; C703-K706 WeakPolarHBondContact O-CB 3.3Å; C703-K706 PolarHBondContact O-N 3.33Å; K706-E709 WeakPolarHBondContact CD-OE2 3.36Å; K706-E709 WeakPolarHBondContact CE-OE2 3.38Å; K706-E709 IonicContact NZ-OE2 3.32Å; K706-E709 PolarHBondContact NZ-OE2 2.83Å; K706-E709 PolarHBondContact O-N 2.86Å; K706-M710 WeakPolarHBondContact O-CG 3.2Å; K706-M710 PolarHBondContact O-N 3.42Å
707I89Confident87.9Confident107 Ų10798.4 Ų98.455%0.54949%0.487SS..Hα-helixtrans-63.5-44.6173.6-67.6162.7000110C703 Q704 H705 E709 M710 V711C703-I707 WeakPolarHBondContact O-CG1 3.35Å; C703-I707 PolarHBondContact O-N 3.41Å; Q704-I707 PolarHBondContact O-N 3.15Å; H705-I707 VanDerWaalsContact C-N 3.35Å; H705-I707 PolarHBondContact O-N 3.39Å; I707-E709 PolarHBondContact O-N 3.26Å; I707-M710 PolarHBondContact O-N 2.93Å; I707-V711 HydrophobicContact CG2-CG2 4.32Å; I707-V711 WeakPolarHBondContact O-CG2 3.48Å; I707-V711 PolarHBondContact O-N 3.23Å
708A87.7Confident88.2Confident53 Ų5398.3 Ų98.344%0.43849%0.487SS..Hα-helixtrans-63.1-40.4177.100000113.1Q704 H705 V711 A712Q704-A708 PolarHBondContact O-N 2.95Å; H705-A708 PolarHBondContact O-N 3.34Å; A708-V711 PolarHBondContact O-N 3.27Å; A708-A712 WeakPolarHBondContact O-CB 3.3Å; A708-A712 PolarHBondContact O-N 3.39Å
709E88.4Confident88.1Confident91 Ų91100.6 Ų100.643%0.42550%0.497SS..Hα-helixtrans-58.7-45.3171.6-72.9-175.5139.200111.8H705 K706 I707 L713H705-E709 PolarHBondContact O-N 3.43Å; K706-E709 WeakPolarHBondContact CD-OE2 3.36Å; K706-E709 WeakPolarHBondContact CE-OE2 3.38Å; K706-E709 IonicContact NZ-OE2 3.32Å; K706-E709 PolarHBondContact NZ-OE2 2.83Å; K706-E709 PolarHBondContact O-N 2.86Å; I707-E709 PolarHBondContact O-N 3.26Å; E709-L713 WeakPolarHBondContact O-CB 3.37Å; E709-L713 PolarHBondContact O-N 2.9Å
710M89Confident88.2Confident113 Ų113101.8 Ų101.856%0.55750%0.501SS*.Hα-helixtrans-67.3-42.2179.6-73.4-179.163.900112.2K706 I707 L713 M714K706-M710 WeakPolarHBondContact O-CG 3.2Å; K706-M710 PolarHBondContact O-N 3.42Å; I707-M710 PolarHBondContact O-N 2.93Å; M710-L713 PolarHBondContact O-N 2.86Å; M710-M714 WeakPolarHBondContact O-CB 3.13Å; M710-M714 VanDerWaalsContact O-CG 3.32Å; M710-M714 WeakPolarHBondContact O-CG 3.25Å; M710-M714 PolarHBondContact O-N 3.27Å
711V89.7Confident88.3Confident73 Ų73106.1 Ų106.144%0.44251%0.514SS..Hα-helixtrans-62.7-47.1175.8170.90000110.6I707 A708 L713 M714 E715I707-V711 HydrophobicContact CG2-CG2 4.32Å; I707-V711 WeakPolarHBondContact O-CG2 3.48Å; I707-V711 PolarHBondContact O-N 3.23Å; A708-V711 PolarHBondContact O-N 3.27Å; V711-L713 VanDerWaalsContact C-N 3.29Å; V711-L713 PolarHBondContact O-N 3.29Å; V711-M714 PolarHBondContact O-N 2.89Å; V711-M714 VanDerWaalsContact O-N 3.15Å; V711-E715 HydrophobicContact CG1-CG 4.42Å; V711-E715 WeakPolarHBondContact O-CG 3.31Å; V711-E715 PolarHBondContact O-N 2.71Å
712A85.9Confident88.4Confident56 Ų56104 Ų10446%0.46351%0.508SS..Hα-helixtrans-62.5-34.3177.500000112.8A708 K716A708-A712 WeakPolarHBondContact O-CB 3.3Å; A708-A712 PolarHBondContact O-N 3.39Å; A712-K716 WeakPolarHBondContact O-CB 3.26Å; A712-K716 PolarHBondContact O-N 2.87Å
713L91.9Very high88.7Confident90 Ų90102.6 Ų102.647%0.47151%0.506SS..Hα-helixtrans-69.3-42.9173-17763.1000111.9E709 M710 V711 K716 H717E709-L713 WeakPolarHBondContact O-CB 3.37Å; E709-L713 PolarHBondContact O-N 2.9Å; M710-L713 PolarHBondContact O-N 2.86Å; V711-L713 VanDerWaalsContact C-N 3.29Å; V711-L713 PolarHBondContact O-N 3.29Å; L713-K716 PolarHBondContact O-N 3.05Å; L713-H717 PolarHBondContact O-N 2.77Å
714M84Confident88.9Confident129 Ų129103.6 Ų103.664%0.63551%0.506SS*.Hα-helixtrans-64.5-42.6176.1-74.4177.966.200111.8M710 V711 H717 K718M710-M714 WeakPolarHBondContact O-CB 3.13Å; M710-M714 VanDerWaalsContact O-CG 3.32Å; M710-M714 WeakPolarHBondContact O-CG 3.25Å; M710-M714 PolarHBondContact O-N 3.27Å; V711-M714 PolarHBondContact O-N 2.89Å; V711-M714 VanDerWaalsContact O-N 3.15Å; M714-H717 PolarHBondContact O-N 2.85Å; M714-K718 WeakPolarHBondContact O-CB 3.38Å; M714-K718 PolarHBondContact O-N 3.12Å
715E89.2Confident89.1Confident109 Ų109101.9 Ų101.951%0.50950%0.5SS..Hα-helixtrans-61.9-42.9172.6-74.4-169.6135.700111.3V711 H717 K718 H719V711-E715 HydrophobicContact CG1-CG 4.42Å; V711-E715 WeakPolarHBondContact O-CG 3.31Å; V711-E715 PolarHBondContact O-N 2.71Å; E715-H717 PolarHBondContact O-N 2.8Å; E715-K718 WeakPolarHBondContact O-CB 3.23Å; E715-K718 PolarHBondContact O-N 3.44Å; E715-H719 PolarHBondContact O-N 2.96Å; E715-H719 PolarHBondContact O-ND1 2.96Å
716K90.2Very high89.2Confident130 Ų130102.5 Ų102.557%0.56550%0.503SS*.Hα-helixtrans-59.9-45175.8-176-178.7177.6-175.10111.8A712 L713 H719 Q720A712-K716 WeakPolarHBondContact O-CB 3.26Å; A712-K716 PolarHBondContact O-N 2.87Å; L713-K716 PolarHBondContact O-N 3.05Å; K716-H719 PolarHBondContact O-N 2.83Å; K716-Q720 WeakPolarHBondContact O-CG 3.26Å; K716-Q720 PolarHBondContact O-N 2.84Å; K716-Q720 VanDerWaalsContact O-N 3.08Å
717H91.3Very high88.9Confident82 Ų82101.1 Ų101.138%0.3850%0.498SS..Hα-helixtrans-65.4-39.9175.7-69.5-179000111.7L713 M714 E715 Q720 Y721L713-H717 PolarHBondContact O-N 2.77Å; M714-H717 PolarHBondContact O-N 2.85Å; E715-H717 PolarHBondContact O-N 2.8Å; H717-Q720 PolarHBondContact CD2-OE1 3.28Å; H717-Q720 WeakPolarHBondContact O-CB 3.35Å; H717-Q720 PolarHBondContact O-N 3.04Å; H717-Q720 VanDerWaalsContact O-N 3.13Å; H717-Y721 HydrophobicContact CB-CE2 4.26Å; H717-Y721 WeakPolarHBondContact O-CD2 3.4Å; H717-Y721 PolarHBondContact O-N 3.49Å
718K91.5Very high88.8Confident125 Ų125103.6 Ų103.654%0.54350%0.501SS..Hα-helixtrans-57.2-52.5173.9-170.1-157.4168.5-1640111.3M714 E715 Q720 Y721 D722M714-K718 WeakPolarHBondContact O-CB 3.38Å; M714-K718 PolarHBondContact O-N 3.12Å; E715-K718 WeakPolarHBondContact O-CB 3.23Å; E715-K718 PolarHBondContact O-N 3.44Å; K718-Q720 PolarHBondContact O-N 2.85Å; K718-Y721 PolarHBondContact O-N 2.83Å; K718-D722 VanDerWaalsContact CE-OD2 3.32Å; K718-D722 WeakPolarHBondContact CE-OD2 3.43Å; K718-D722 IonicContact NZ-OD2 2.7Å; K718-D722 VanDerWaalsContact O-CG 3.24Å; K718-D722 PolarHBondContact O-N 3.33Å
719H86Confident88.9Confident121 Ų121105.8 Ų105.856%0.5651%0.505SS*.Hα-helixtrans-59.6-30.2176.4-71.491000112.8E715 K716 K723E715-H719 PolarHBondContact O-N 2.96Å; E715-H719 PolarHBondContact O-ND1 2.96Å; K716-H719 PolarHBondContact O-N 2.83Å; H719-K723 VanDerWaalsContact O-CB 3.23Å; H719-K723 WeakPolarHBondContact O-CB 3.29Å; H719-K723 PolarHBondContact O-N 2.85Å; H719-K723 VanDerWaalsContact O-N 3.09Å
720Q89.1Confident88.9Confident100 Ų100104.8 Ų104.847%0.46751%0.508SS..Hα-helixtrans-70.7-40.4172.6-71.5176.2-7000112.3K716 H717 K718 I724K716-Q720 WeakPolarHBondContact O-CG 3.26Å; K716-Q720 PolarHBondContact O-N 2.84Å; K716-Q720 VanDerWaalsContact O-N 3.08Å; H717-Q720 PolarHBondContact CD2-OE1 3.28Å; H717-Q720 WeakPolarHBondContact O-CB 3.35Å; H717-Q720 PolarHBondContact O-N 3.04Å; H717-Q720 VanDerWaalsContact O-N 3.13Å; K718-Q720 PolarHBondContact O-N 2.85Å; Q720-I724 WeakPolarHBondContact O-CD1 3.29Å; Q720-I724 WeakPolarHBondContact O-CG1 3.24Å; Q720-I724 PolarHBondContact O-N 3.31Å
721Y89.2Confident88.9Confident156 Ų156104 Ų10461%0.61250%0.503SS*.Hα-helixtrans-68-46.6174-67.3-58.3000112.2H717 K718 K723 I724 I725H717-Y721 HydrophobicContact CB-CE2 4.26Å; H717-Y721 WeakPolarHBondContact O-CD2 3.4Å; H717-Y721 PolarHBondContact O-N 3.49Å; K718-Y721 PolarHBondContact O-N 2.83Å; Y721-K723 VanDerWaalsContact C-N 3.26Å; Y721-K723 PolarHBondContact O-N 3.48Å; Y721-I724 PolarHBondContact O-N 2.6Å; Y721-I724 VanDerWaalsContact O-N 3.09Å; Y721-I725 WeakPolarHBondContact O-CG1 3.44Å; Y721-I725 PolarHBondContact O-N 3.21Å
722D90.6Very high88.8Confident73 Ų73104.5 Ų104.539%0.3950%0.503SS..Hα-helixtrans-55.2-44.1176.8-64.5-20.8000110.3K718 I725 E726K718-D722 VanDerWaalsContact CE-OD2 3.32Å; K718-D722 WeakPolarHBondContact CE-OD2 3.43Å; K718-D722 IonicContact NZ-OD2 2.7Å; K718-D722 VanDerWaalsContact O-CG 3.24Å; K718-D722 PolarHBondContact O-N 3.33Å; D722-I725 PolarHBondContact O-N 2.9Å; D722-E726 PolarHBondContact O-N 3.34Å
723K92.2Very high88.8Confident105 Ų105103.4 Ų103.446%0.45750%0.497SS..Hα-helixtrans-67.1-39.2175.4-177.1173.7177.6-68.40113.7H719 Y721 I725 E726 E727H719-K723 VanDerWaalsContact O-CB 3.23Å; H719-K723 WeakPolarHBondContact O-CB 3.29Å; H719-K723 PolarHBondContact O-N 2.85Å; H719-K723 VanDerWaalsContact O-N 3.09Å; Y721-K723 VanDerWaalsContact C-N 3.26Å; Y721-K723 PolarHBondContact O-N 3.48Å; K723-I725 VanDerWaalsContact C-N 3.28Å; K723-I725 PolarHBondContact O-N 2.89Å; K723-E726 PolarHBondContact O-N 2.89Å; K723-E727 IonicContact NZ-OE1 2.67Å; K723-E727 PolarHBondContact NZ-OE1 2.81Å; K723-E727 IonicContact NZ-OE2 3.27Å; K723-E727 PolarHBondContact NZ-OE2 2.9Å; K723-E727 VanDerWaalsContact NZ-OE2 3.13Å; K723-E727 WeakPolarHBondContact O-CB 3.43Å; K723-E727 WeakPolarHBondContact O-CG 3.35Å; K723-E727 PolarHBondContact O-N 3.1Å
724I88.3Confident88.5Confident88 Ų88104.3 Ų104.345%0.45150%0.502SS..Hα-helixtrans-65.7-34.9175.8-72.7163.9000110.7Q720 Y721 R728Q720-I724 WeakPolarHBondContact O-CD1 3.29Å; Q720-I724 WeakPolarHBondContact O-CG1 3.24Å; Q720-I724 PolarHBondContact O-N 3.31Å; Y721-I724 PolarHBondContact O-N 2.6Å; Y721-I724 VanDerWaalsContact O-N 3.09Å; I724-R728 WeakPolarHBondContact O-CB 2.77Å; I724-R728 VanDerWaalsContact O-CG 3.27Å; I724-R728 WeakPolarHBondContact O-CG 3.4Å; I724-R728 PolarHBondContact O-N 2.63Å
725I90.1Very high88.5Confident95 Ų95105.9 Ų105.949%0.48750%0.502SS..Hα-helixtrans-66.1-49.3174-67.3162.7000109.8Y721 D722 K723 E727 R728 D729Y721-I725 WeakPolarHBondContact O-CG1 3.44Å; Y721-I725 PolarHBondContact O-N 3.21Å; D722-I725 PolarHBondContact O-N 2.9Å; K723-I725 VanDerWaalsContact C-N 3.28Å; K723-I725 PolarHBondContact O-N 2.89Å; I725-E727 VanDerWaalsContact C-N 3.33Å; I725-E727 PolarHBondContact O-N 3.49Å; I725-R728 CarbonylContact O-C 3.53Å; I725-R728 PolarHBondContact O-N 2.93Å; I725-D729 PolarHBondContact O-N 2.84Å
726E87.7Confident88.3Confident135 Ų135106.5 Ų106.563%0.63150%0.503SS*.Hα-helixtrans-59.1-40.3177-173.5176.7-145.800112.8D722 K723 S730D722-E726 PolarHBondContact O-N 3.34Å; K723-E726 PolarHBondContact O-N 2.89Å; E726-S730 VanDerWaalsContact O-CB 3.3Å; E726-S730 WeakPolarHBondContact O-CB 3.43Å; E726-S730 PolarHBondContact O-N 3.18Å; E726-S730 PolarHBondContact O-OG 3.41Å
727E86.8Confident88.1Confident93 Ų93103.3 Ų103.344%0.43550%0.497SS..Hα-helixtrans-63.9-40.7173.1-75.5177.1149.300111.8K723 I725 S730 E731K723-E727 IonicContact NZ-OE1 2.67Å; K723-E727 PolarHBondContact NZ-OE1 2.81Å; K723-E727 IonicContact NZ-OE2 3.27Å; K723-E727 PolarHBondContact NZ-OE2 2.9Å; K723-E727 VanDerWaalsContact NZ-OE2 3.13Å; K723-E727 WeakPolarHBondContact O-CB 3.43Å; K723-E727 WeakPolarHBondContact O-CG 3.35Å; K723-E727 PolarHBondContact O-N 3.1Å; I725-E727 VanDerWaalsContact C-N 3.33Å; I725-E727 PolarHBondContact O-N 3.49Å; E727-S730 WeakPolarHBondContact O-CB 3.33Å; E727-S730 PolarHBondContact O-N 3.43Å; E727-E731 WeakPolarHBondContact O-CG 3.29Å; E727-E731 PolarHBondContact O-N 3.35Å
728R86.5Confident87.8Confident159 Ų159105.2 Ų105.260%0.650%0.504SS*.Hα-helixtrans-75.5-34.3179.2-72.5-60.1-177.581.1-0.6114.3I724 I725 S730 E731 L732I724-R728 WeakPolarHBondContact O-CB 2.77Å; I724-R728 VanDerWaalsContact O-CG 3.27Å; I724-R728 WeakPolarHBondContact O-CG 3.4Å; I724-R728 PolarHBondContact O-N 2.63Å; I725-R728 CarbonylContact O-C 3.53Å; I725-R728 PolarHBondContact O-N 2.93Å; R728-S730 VanDerWaalsContact C-N 3.3Å; R728-E731 WeakPolarHBondContact CD-OE2 3.41Å; R728-E731 IonicContact NE-OE2 3.63Å; R728-E731 PolarHBondContact NE-OE2 3.49Å; R728-E731 PolarHBondContact O-N 2.9Å; R728-L732 VanDerWaalsContact O-CB 3.29Å; R728-L732 WeakPolarHBondContact O-CB 3.28Å; R728-L732 PolarHBondContact O-N 2.71Å
729D88.9Confident87.5Confident99 Ų99105.7 Ų105.753%0.52951%0.508SS..Hα-helixtrans-68.4-34.3171.5-76.9-31000111I725 L732 G733I725-D729 PolarHBondContact O-N 2.84Å; D729-L732 PolarHBondContact O-N 2.87Å; D729-G733 PolarHBondContact O-N 3.29Å
730S88.5Confident87.4Confident70 Ų70107 Ų10749%0.4951%0.514SS..Hα-helixtrans-65.6-45.7171.4-60.60000112.2E726 E727 R728 G733 L734E726-S730 VanDerWaalsContact O-CB 3.3Å; E726-S730 WeakPolarHBondContact O-CB 3.43Å; E726-S730 PolarHBondContact O-N 3.18Å; E726-S730 PolarHBondContact O-OG 3.41Å; E727-S730 WeakPolarHBondContact O-CB 3.33Å; E727-S730 PolarHBondContact O-N 3.43Å; R728-S730 VanDerWaalsContact C-N 3.3Å; S730-G733 PolarHBondContact O-N 3.41Å; S730-L734 WeakPolarHBondContact O-CG 3.42Å; S730-L734 PolarHBondContact O-N 2.94Å
731E88.5Confident87.1Confident96 Ų96108 Ų10845%0.44952%0.519SS..Hα-helixtrans-58.8-46.7171.8-76.7179.1-178.100111.4E727 R728 G733 L734 Y735E727-E731 WeakPolarHBondContact O-CG 3.29Å; E727-E731 PolarHBondContact O-N 3.35Å; R728-E731 WeakPolarHBondContact CD-OE2 3.41Å; R728-E731 IonicContact NE-OE2 3.63Å; R728-E731 PolarHBondContact NE-OE2 3.49Å; R728-E731 PolarHBondContact O-N 2.9Å; E731-G733 VanDerWaalsContact C-N 3.3Å; E731-G733 PolarHBondContact O-N 2.83Å; E731-L734 PolarHBondContact O-N 2.85Å; E731-L734 VanDerWaalsContact O-N 3.15Å; E731-Y735 WeakPolarHBondContact O-CD2 3.47Å; E731-Y735 PolarHBondContact O-N 3.24Å
732L88.8Confident86.8Confident83 Ų83106.5 Ų106.544%0.43552%0.518SS..Hα-helixtrans-60.9-38.5178.3-169.178.4000111.9R728 D729 Y735 K736R728-L732 VanDerWaalsContact O-CB 3.29Å; R728-L732 WeakPolarHBondContact O-CB 3.28Å; R728-L732 PolarHBondContact O-N 2.71Å; D729-L732 PolarHBondContact O-N 2.87Å; L732-Y735 PolarHBondContact O-N 3.32Å; L732-K736 WeakPolarHBondContact O-CG 3.22Å; L732-K736 PolarHBondContact O-N 3.27Å
733G86Confident86.5Confident33 Ų33106.4 Ų106.434%0.3452%0.523SS..Hα-helixtrans-59.1-49.9171.700000112D729 S730 E731 Y735 K736 S737D729-G733 PolarHBondContact O-N 3.29Å; S730-G733 PolarHBondContact O-N 3.41Å; E731-G733 VanDerWaalsContact C-N 3.3Å; E731-G733 PolarHBondContact O-N 2.83Å; G733-Y735 VanDerWaalsContact C-N 3.33Å; G733-Y735 PolarHBondContact O-N 2.8Å; G733-K736 PolarHBondContact O-N 2.94Å; G733-S737 PolarHBondContact O-N 2.91Å; G733-S737 PolarHBondContact O-OG 3.04Å
734L84.9Confident86.2Confident110 Ų110105 Ų10558%0.57653%0.527SS*.Hα-helixtrans-63.3-35.8176.9-68.4171.6000112.9S730 E731 K738S730-L734 WeakPolarHBondContact O-CG 3.42Å; S730-L734 PolarHBondContact O-N 2.94Å; E731-L734 PolarHBondContact O-N 2.85Å; E731-L734 VanDerWaalsContact O-N 3.15Å; L734-K738 WeakPolarHBondContact O-CG 3.45Å; L734-K738 PolarHBondContact O-N 2.96Å
735Y83.6Confident86.1Confident161 Ų161105.1 Ų105.163%0.63153%0.527SS*.Hα-helixtrans-65.8-44.2173.2-84.6-69.3000111.9E731 L732 G733 K738 E739E731-Y735 WeakPolarHBondContact O-CD2 3.47Å; E731-Y735 PolarHBondContact O-N 3.24Å; L732-Y735 PolarHBondContact O-N 3.32Å; G733-Y735 VanDerWaalsContact C-N 3.33Å; G733-Y735 PolarHBondContact O-N 2.8Å; Y735-K738 PolarHBondContact O-N 3.46Å; Y735-E739 WeakPolarHBondContact O-CB 3.49Å; Y735-E739 PolarHBondContact O-N 2.81Å
736K86.4Confident85.9Confident123 Ų123108.6 Ų108.654%0.53553%0.534SS..Hα-helixtrans-62.2-41.5174.9-74.4170.7179.3172.40112.4L732 G733 E739 Q740L732-K736 WeakPolarHBondContact O-CG 3.22Å; L732-K736 PolarHBondContact O-N 3.27Å; G733-K736 PolarHBondContact O-N 2.94Å; K736-E739 PolarHBondContact O-N 3.33Å; K736-Q740 WeakPolarHBondContact O-CB 3.08Å; K736-Q740 PolarHBondContact O-N 2.83Å
737S85.8Confident85.8Confident62 Ų62104.6 Ų104.643%0.43452%0.524SS..Hα-helixtrans-60.2-46.3173.7-62.70000111.7G733 E739 Q740 E741G733-S737 PolarHBondContact O-N 2.91Å; G733-S737 PolarHBondContact O-OG 3.04Å; S737-E739 PolarHBondContact O-N 3.48Å; S737-Q740 PolarHBondContact O-N 2.72Å; S737-E741 WeakPolarHBondContact O-CG 3.36Å; S737-E741 PolarHBondContact O-N 3.46Å
738K85.7Confident85.8Confident122 Ų122102.8 Ų102.853%0.5352%0.522SS..Hα-helixtrans-65.3-36.5176.4-74.3173.3-179.5174.30113L734 Y735 E741 Q742L734-K738 WeakPolarHBondContact O-CG 3.45Å; L734-K738 PolarHBondContact O-N 2.96Å; Y735-K738 PolarHBondContact O-N 3.46Å; K738-E741 PolarHBondContact O-N 2.97Å; K738-Q742 VanDerWaalsContact O-CB 3.31Å; K738-Q742 WeakPolarHBondContact O-CB 3.47Å; K738-Q742 WeakPolarHBondContact O-CG 3.24Å; K738-Q742 PolarHBondContact O-N 3.23Å
739E84Confident85.8Confident135 Ų13599.2 Ų99.263%0.63151%0.514SS*.Hα-helixtrans-66.4-39.2174.7-176.9173.3-149.300111.4Y735 K736 S737 S743Y735-E739 WeakPolarHBondContact O-CB 3.49Å; Y735-E739 PolarHBondContact O-N 2.81Å; K736-E739 PolarHBondContact O-N 3.33Å; S737-E739 PolarHBondContact O-N 3.48Å; E739-S743 VanDerWaalsContact O-CB 3.26Å; E739-S743 WeakPolarHBondContact O-CB 3.38Å; E739-S743 PolarHBondContact O-N 3.01Å; E739-S743 PolarHBondContact O-OG 3.48Å
740Q84.2Confident85.7Confident148 Ų148100.2 Ų100.269%0.69252%0.516SS*.Hα-helixtrans-69.1-40.5174.4-171.9171.8-4.600112.1K736 S737 S743 S744K736-Q740 WeakPolarHBondContact O-CB 3.08Å; K736-Q740 PolarHBondContact O-N 2.83Å; S737-Q740 PolarHBondContact O-N 2.72Å; Q740-S743 PolarHBondContact O-N 3.25Å; Q740-S744 PolarHBondContact O-N 2.79Å
741E83.6Confident85.5Confident122 Ų122100.7 Ų100.757%0.5752%0.516SS*.Hα-helixtrans-59.2-52.2171-76.2173.7176.100110.9S737 K738 S743 S744 L745S737-E741 WeakPolarHBondContact O-CG 3.36Å; S737-E741 PolarHBondContact O-N 3.46Å; K738-E741 PolarHBondContact O-N 2.97Å; E741-S743 VanDerWaalsContact C-N 3.27Å; E741-S743 PolarHBondContact O-N 3.44Å; E741-S744 PolarHBondContact O-N 2.9Å; E741-S744 VanDerWaalsContact O-N 3.1Å; E741-S744 PolarHBondContact O-OG 3.39Å; E741-L745 WeakPolarHBondContact O-CB 3.38Å; E741-L745 PolarHBondContact O-N 3.42Å
742Q81.9Confident85.5Confident125 Ų125100.4 Ų100.458%0.58452%0.515SS*.Hα-helixtrans-61-35176.9-72.6-67.5-28.400112.2K738 R746K738-Q742 VanDerWaalsContact O-CB 3.31Å; K738-Q742 WeakPolarHBondContact O-CB 3.47Å; K738-Q742 WeakPolarHBondContact O-CG 3.24Å; K738-Q742 PolarHBondContact O-N 3.23Å; Q742-R746 WeakPolarHBondContact O-CB 3.4Å; Q742-R746 PolarHBondContact O-N 2.91Å
743S84.4Confident85.3Confident70 Ų70102.1 Ų102.149%0.4952%0.524SS..Hα-helixtrans-67.8-39.9174-61.90000111.9E739 Q740 E741 A747E739-S743 VanDerWaalsContact O-CB 3.26Å; E739-S743 WeakPolarHBondContact O-CB 3.38Å; E739-S743 PolarHBondContact O-N 3.01Å; E739-S743 PolarHBondContact O-OG 3.48Å; Q740-S743 PolarHBondContact O-N 3.25Å; E741-S743 VanDerWaalsContact C-N 3.27Å; E741-S743 PolarHBondContact O-N 3.44Å; S743-A747 WeakPolarHBondContact O-CB 3.4Å; S743-A747 PolarHBondContact O-N 3.28Å
744S85.8Confident85.3Confident77 Ų77103.6 Ų103.654%0.53853%0.529SS..Hα-helixtrans-68.8-38.4175.274.30000112.6Q740 E741 A747 S748Q740-S744 PolarHBondContact O-N 2.79Å; E741-S744 PolarHBondContact O-N 2.9Å; E741-S744 VanDerWaalsContact O-N 3.1Å; E741-S744 PolarHBondContact O-OG 3.39Å; S744-A747 PolarHBondContact O-N 2.84Å; S744-S748 PolarHBondContact O-N 2.84Å
745L86.9Confident85.3Confident89 Ų89102.7 Ų102.747%0.46653%0.525SS..Hα-helixtrans-71.5-40177.5-164.9155.8000110.6E741 A747 S748 L749E741-L745 WeakPolarHBondContact O-CB 3.38Å; E741-L745 PolarHBondContact O-N 3.42Å; L745-A747 VanDerWaalsContact C-N 3.34Å; L745-S748 WeakPolarHBondContact O-CB 3.37Å; L745-S748 PolarHBondContact O-N 2.84Å; L745-L749 HydrophobicContact CD2-CD1 3.64Å; L745-L749 HydrophobicContact CD2-CG 4.1Å; L745-L749 WeakPolarHBondContact O-CG 3.48Å; L745-L749 PolarHBondContact O-N 3.46Å
746R85.8Confident85.3Confident169 Ų16999.7 Ų99.764%0.63852%0.519SS*.Hα-helixtrans-59.9-42.7169.1178177.6172.3166.60.5111.6Q742 L749 E750Q742-R746 WeakPolarHBondContact O-CB 3.4Å; Q742-R746 PolarHBondContact O-N 2.91Å; R746-L749 PolarHBondContact O-N 3.25Å; R746-E750 VanDerWaalsContact O-CB 3.25Å; R746-E750 WeakPolarHBondContact O-CB 3.39Å; R746-E750 PolarHBondContact O-N 3.26Å
747A85.5Confident85.4Confident51 Ų51100.7 Ų100.742%0.42152%0.523SS..Hα-helixtrans-62.9-41.1175.600000111.8S743 S744 L745 E750 T751S743-A747 WeakPolarHBondContact O-CB 3.4Å; S743-A747 PolarHBondContact O-N 3.28Å; S744-A747 PolarHBondContact O-N 2.84Å; L745-A747 VanDerWaalsContact C-N 3.34Å; A747-E750 PolarHBondContact O-N 2.82Å; A747-T751 WeakPolarHBondContact O-CG2 3.36Å; A747-T751 PolarHBondContact O-N 2.89Å; A747-T751 PolarHBondContact O-OG1 2.85Å
748S86.3Confident85.3Confident55 Ų55101.7 Ų101.739%0.38553%0.527SS..Hα-helixtrans-57-55171.2-164.60000110.9S744 L745 E750 T751 E752S744-S748 PolarHBondContact O-N 2.84Å; L745-S748 WeakPolarHBondContact O-CB 3.37Å; L745-S748 PolarHBondContact O-N 2.84Å; S748-E750 VanDerWaalsContact C-N 3.26Å; S748-E750 PolarHBondContact O-N 2.86Å; S748-T751 CarbonylContact O-C 3.58Å; S748-T751 WeakPolarHBondContact O-CA 3.25Å; S748-T751 PolarHBondContact O-N 2.9Å; S748-T751 PolarHBondContact O-OG1 3.42Å; S748-E752 WeakPolarHBondContact O-CG 3.26Å; S748-E752 PolarHBondContact O-N 2.81Å; S748-E752 PolarHBondContact OG-OE1 2.98Å
749L87Confident85.2Confident83 Ų83101.4 Ų101.444%0.43553%0.527SS..Hα-helixtrans-60.1-32.5178.6-70.1176.2000113.2L745 R746 E752 L753L745-L749 HydrophobicContact CD2-CD1 3.64Å; L745-L749 HydrophobicContact CD2-CG 4.1Å; L745-L749 WeakPolarHBondContact O-CG 3.48Å; L745-L749 PolarHBondContact O-N 3.46Å; R746-L749 PolarHBondContact O-N 3.25Å; L749-E752 PolarHBondContact O-N 2.89Å; L749-L753 VanDerWaalsContact O-CB 3.28Å; L749-L753 WeakPolarHBondContact O-CB 3.23Å; L749-L753 WeakPolarHBondContact O-CG 3.41Å; L749-L753 PolarHBondContact O-N 3.17Å
750E87.2Confident85Confident120 Ų120100.5 Ų100.556%0.56153%0.526SS*.Hα-helixtrans-73.4-34.1176.5-168.5152.7-16400111.4R746 A747 S748 S754R746-E750 VanDerWaalsContact O-CB 3.25Å; R746-E750 WeakPolarHBondContact O-CB 3.39Å; R746-E750 PolarHBondContact O-N 3.26Å; A747-E750 PolarHBondContact O-N 2.82Å; S748-E750 VanDerWaalsContact C-N 3.26Å; S748-E750 PolarHBondContact O-N 2.86Å; E750-S754 WeakPolarHBondContact O-CB 3.15Å; E750-S754 PolarHBondContact O-N 2.98Å
751T83.8Confident85.1Confident81 Ų8197.9 Ų97.950%0.49752%0.516SS..Hα-helixtrans-70.1-39.3167.862.50000112.8A747 S748 S754 N755A747-T751 WeakPolarHBondContact O-CG2 3.36Å; A747-T751 PolarHBondContact O-N 2.89Å; A747-T751 PolarHBondContact O-OG1 2.85Å; S748-T751 CarbonylContact O-C 3.58Å; S748-T751 WeakPolarHBondContact O-CA 3.25Å; S748-T751 PolarHBondContact O-N 2.9Å; S748-T751 PolarHBondContact O-OG1 3.42Å; T751-S754 WeakPolarHBondContact O-CB 3.36Å; T751-S754 PolarHBondContact O-N 2.81Å; T751-N755 PolarHBondContact O-N 3.38Å; T751-N755 PolarHBondContact O-ND2 2.69Å
752E87Confident85Confident90 Ų9095.5 Ų95.542%0.42151%0.514SS..Hα-helixtrans-64.8-42.9175.1-71.6166.1-130.800111.6S748 L749 S754 N755 L756S748-E752 WeakPolarHBondContact O-CG 3.26Å; S748-E752 PolarHBondContact O-N 2.81Å; S748-E752 PolarHBondContact OG-OE1 2.98Å; L749-E752 PolarHBondContact O-N 2.89Å; E752-S754 VanDerWaalsContact C-N 3.32Å; E752-S754 PolarHBondContact O-N 3.06Å; E752-N755 PolarHBondContact O-N 3.35Å; E752-L756 WeakPolarHBondContact O-CB 3.48Å; E752-L756 WeakPolarHBondContact O-CG 3.4Å; E752-L756 PolarHBondContact O-N 2.72Å
753L85.3Confident85.1Confident119 Ų11993.6 Ų93.662%0.62351%0.51SS*.Hα-helixtrans-66-33.2172.8-74.6171.8000112.2L749 K757L749-L753 VanDerWaalsContact O-CB 3.28Å; L749-L753 WeakPolarHBondContact O-CB 3.23Å; L749-L753 WeakPolarHBondContact O-CG 3.41Å; L749-L753 PolarHBondContact O-N 3.17Å; L753-K757 WeakPolarHBondContact O-CB 3.22Å; L753-K757 PolarHBondContact O-N 2.96Å
754S86.4Confident85Confident64 Ų6496.3 Ų96.345%0.44851%0.513SS..Hα-helixtrans-64.5-44.7171.2-168.50000111.4E750 T751 E752 K757 T758E750-S754 WeakPolarHBondContact O-CB 3.15Å; E750-S754 PolarHBondContact O-N 2.98Å; T751-S754 WeakPolarHBondContact O-CB 3.36Å; T751-S754 PolarHBondContact O-N 2.81Å; E752-S754 VanDerWaalsContact C-N 3.32Å; E752-S754 PolarHBondContact O-N 3.06Å; S754-K757 WeakPolarHBondContact O-CB 3.17Å; S754-K757 PolarHBondContact O-N 3.22Å; S754-T758 PolarHBondContact O-N 3.37Å
755N85.3Confident84.8Confident91 Ų9199.9 Ų99.949%0.48752%0.519SS..Hα-helixtrans-63.7-51.6176.3-66.3-18.5000111.3T751 E752 K757 T758 E759T751-N755 PolarHBondContact O-N 3.38Å; T751-N755 PolarHBondContact O-ND2 2.69Å; E752-N755 PolarHBondContact O-N 3.35Å; N755-K757 PolarHBondContact O-N 3.47Å; N755-T758 PolarHBondContact O-N 3.46Å; N755-T758 PolarHBondContact O-OG1 2.96Å; N755-E759 PolarHBondContact O-N 3.38Å
756L83.8Confident84.3Confident98 Ų98101.1 Ų101.151%0.51352%0.522SS..Hα-helixtrans-58.7-29.8174.6-75.1169.3000112.6E752 L760E752-L756 WeakPolarHBondContact O-CB 3.48Å; E752-L756 WeakPolarHBondContact O-CG 3.4Å; E752-L756 PolarHBondContact O-N 2.72Å; L756-L760 WeakPolarHBondContact O-CB 3.09Å; L756-L760 PolarHBondContact O-N 3.19Å
757K87Confident84Confident143 Ų14397.6 Ų97.662%0.62252%0.516SS*.Hα-helixtrans-74.1-35.1173.6-176.8178.5-179.9-177.60112.4L753 S754 N755 L761L753-K757 WeakPolarHBondContact O-CB 3.22Å; L753-K757 PolarHBondContact O-N 2.96Å; S754-K757 WeakPolarHBondContact O-CB 3.17Å; S754-K757 PolarHBondContact O-N 3.22Å; N755-K757 PolarHBondContact O-N 3.47Å; K757-L761 WeakPolarHBondContact O-CB 3.36Å; K757-L761 WeakPolarHBondContact O-CD1 3.47Å; K757-L761 WeakPolarHBondContact O-CG 3.29Å; K757-L761 PolarHBondContact O-N 2.94Å
758T83.3Confident83.7Confident84 Ų8498.7 Ų98.752%0.51551%0.512SS..Hα-helixtrans-72-38.2171.862.70000111.5S754 N755 L761 S762S754-T758 PolarHBondContact O-N 3.37Å; N755-T758 PolarHBondContact O-N 3.46Å; N755-T758 PolarHBondContact O-OG1 2.96Å; T758-L761 PolarHBondContact O-N 3.21Å; T758-S762 PolarHBondContact O-N 3.02Å
759E85Confident83.4Confident115 Ų11599.8 Ų99.854%0.53751%0.513SS..Hα-helixtrans-61.8-47.7170.8-71.4-178.8-173.200111.9N755 L761 S762 V763N755-E759 PolarHBondContact O-N 3.38Å; E759-L761 VanDerWaalsContact C-N 3.3Å; E759-L761 PolarHBondContact O-N 2.97Å; E759-S762 CarbonylContact O-C 3.59Å; E759-S762 WeakPolarHBondContact O-CA 3.27Å; E759-S762 VanDerWaalsContact O-CB 3.27Å; E759-S762 WeakPolarHBondContact O-CB 3.4Å; E759-S762 PolarHBondContact O-N 3.39Å; E759-V763 WeakPolarHBondContact O-CG2 3.49Å; E759-V763 PolarHBondContact O-N 2.77Å
760L80.4Confident82.7Confident116 Ų11699.6 Ų99.661%0.60751%0.51SS*.Hα-helixtrans-65.4-32.3177.3-174.1146.4000112L756 K764L756-L760 WeakPolarHBondContact O-CB 3.09Å; L756-L760 PolarHBondContact O-N 3.19Å; L760-K764 WeakPolarHBondContact O-CB 3.45Å; L760-K764 PolarHBondContact O-N 3.48Å
761L84.4Confident82.2Confident93 Ų93100.3 Ų100.349%0.48751%0.507SS..Hα-helixtrans-68.1-34.2169.5-76.9168.4000112.4K757 T758 E759 K765K757-L761 WeakPolarHBondContact O-CB 3.36Å; K757-L761 WeakPolarHBondContact O-CD1 3.47Å; K757-L761 WeakPolarHBondContact O-CG 3.29Å; K757-L761 PolarHBondContact O-N 2.94Å; T758-L761 PolarHBondContact O-N 3.21Å; E759-L761 VanDerWaalsContact C-N 3.3Å; E759-L761 PolarHBondContact O-N 2.97Å; L761-K765 WeakPolarHBondContact O-CG 3.4Å; L761-K765 PolarHBondContact O-N 3.47Å
762S81.8Confident81.6Confident73 Ų73102.4 Ų102.451%0.5151%0.512SS..Hα-helixtrans-68-52.1173.3-164.60000111.5T758 E759 K764 K765 Q766T758-S762 PolarHBondContact O-N 3.02Å; E759-S762 CarbonylContact O-C 3.59Å; E759-S762 WeakPolarHBondContact O-CA 3.27Å; E759-S762 VanDerWaalsContact O-CB 3.27Å; E759-S762 WeakPolarHBondContact O-CB 3.4Å; E759-S762 PolarHBondContact O-N 3.39Å; S762-K764 VanDerWaalsContact C-N 3.3Å; S762-K764 PolarHBondContact O-N 3.41Å; S762-K765 WeakPolarHBondContact O-CB 3.37Å; S762-K765 PolarHBondContact O-N 2.88Å; S762-K765 VanDerWaalsContact O-N 3.1Å; S762-Q766 PolarHBondContact O-N 2.96Å
763V83.8Confident80.9Confident85 Ų85103.2 Ų103.252%0.51552%0.515SS..Hα-helixtrans-61.6-36175.2175.50000111.6E759 Q766 L767E759-V763 WeakPolarHBondContact O-CG2 3.49Å; E759-V763 PolarHBondContact O-N 2.77Å; V763-Q766 PolarHBondContact O-N 2.86Å; V763-L767 HydrophobicContact CG1-CD1 4.15Å; V763-L767 WeakPolarHBondContact O-CB 3.49Å; V763-L767 PolarHBondContact O-N 3.1Å
764K83.2Confident79.9Confident127 Ų127103.5 Ų103.555%0.55251%0.511SS*.Hα-helixtrans-66-39.7173.5-175.8174.6179.6-179.90112L760 S762 L767 E768L760-K764 WeakPolarHBondContact O-CB 3.45Å; L760-K764 PolarHBondContact O-N 3.48Å; S762-K764 VanDerWaalsContact C-N 3.3Å; S762-K764 PolarHBondContact O-N 3.41Å; K764-L767 PolarHBondContact O-N 3.36Å; K764-E768 WeakPolarHBondContact O-CB 3.32Å; K764-E768 PolarHBondContact O-N 3Å
765K80.9Confident79Confident152 Ų152105.2 Ų105.266%0.66151%0.512SS*.Hα-helixtrans-62.3-44.9170.3-76.5176.5176.9-1780111.1L761 S762 L767 E768 I769L761-K765 WeakPolarHBondContact O-CG 3.4Å; L761-K765 PolarHBondContact O-N 3.47Å; S762-K765 WeakPolarHBondContact O-CB 3.37Å; S762-K765 PolarHBondContact O-N 2.88Å; S762-K765 VanDerWaalsContact O-N 3.1Å; K765-L767 VanDerWaalsContact C-N 3.33Å; K765-L767 PolarHBondContact O-N 3.45Å; K765-E768 PolarHBondContact O-N 2.94Å; K765-E768 VanDerWaalsContact O-N 3.17Å; K765-I769 WeakPolarHBondContact O-CG1 3.31Å; K765-I769 PolarHBondContact O-N 2.8Å
766Q76.7Confident77.8Confident114 Ų114106.7 Ų106.753%0.53352%0.515SS..Hα-helixtrans-61.2-40177.8-15967.821.200112.1S762 V763 I769 E770S762-Q766 PolarHBondContact O-N 2.96Å; V763-Q766 PolarHBondContact O-N 2.86Å; Q766-I769 PolarHBondContact O-N 3.28Å; Q766-E770 WeakPolarHBondContact O-CB 3.44Å; Q766-E770 PolarHBondContact O-N 2.96Å
767L79.1Confident76.6Confident95 Ų95107.4 Ų107.450%0.49752%0.518SS..Hα-helixtrans-73.9-24.8175.2-84.6171.5000114V763 K764 K765 R771V763-L767 HydrophobicContact CG1-CD1 4.15Å; V763-L767 WeakPolarHBondContact O-CB 3.49Å; V763-L767 PolarHBondContact O-N 3.1Å; K764-L767 PolarHBondContact O-N 3.36Å; K765-L767 VanDerWaalsContact C-N 3.33Å; K765-L767 PolarHBondContact O-N 3.45Å; L767-R771 VanDerWaalsContact O-CB 3.31Å; L767-R771 WeakPolarHBondContact O-CB 3.45Å; L767-R771 PolarHBondContact O-N 3.42Å
768E80Confident75.4Confident75 Ų75108.8 Ų108.835%0.3552%0.524SS..Hα-helixtrans-71.6-45.2170.3-152.867.1-141.300109.7K764 K765 R771 E772K764-E768 WeakPolarHBondContact O-CB 3.32Å; K764-E768 PolarHBondContact O-N 3Å; K765-E768 PolarHBondContact O-N 2.94Å; K765-E768 VanDerWaalsContact O-N 3.17Å; E768-R771 VanDerWaalsContact CD-NH1 3.33Å; E768-R771 VanDerWaalsContact CD-NH2 3.3Å; E768-R771 PolarHBondContact O-N 3.17Å; E768-R771 VanDerWaalsContact O-N 3.09Å; E768-R771 IonicContact OE1-CZ 2.61Å; E768-R771 VanDerWaalsContact OE1-CZ 3.32Å; E768-R771 IonicContact OE1-NH1 2.64Å; E768-R771 PolarHBondContact OE1-NH1 2.89Å; E768-R771 IonicContact OE1-NH2 2.7Å; E768-R771 PolarHBondContact OE1-NH2 3.18Å; E768-R771 IonicContact OE2-CZ 3.67Å; E768-R771 IonicContact OE2-NH1 2.76Å; E768-R771 PolarHBondContact OE2-NH1 2.66Å; E768-R771 IonicContact OE2-NH2 2.69Å; E768-R771 PolarHBondContact OE2-NH2 2.96Å; E768-E772 PolarHBondContact O-N 2.7Å
769I79.1Confident73.9Confident78 Ų78112.1 Ų112.140%0.453%0.527SS..Hα-helixtrans-59.6-49.2173.3-64.9162.8000110.7K765 Q766 R771 E772 E773K765-I769 WeakPolarHBondContact O-CG1 3.31Å; K765-I769 PolarHBondContact O-N 2.8Å; Q766-I769 PolarHBondContact O-N 3.28Å; I769-R771 PolarHBondContact O-N 3.04Å; I769-E772 PolarHBondContact O-N 3.44Å; I769-E772 VanDerWaalsContact O-N 3.17Å; I769-E773 WeakPolarHBondContact O-CG 3.47Å; I769-E773 PolarHBondContact O-N 3.32Å
770E74Confident72.2Confident79 Ų79114.2 Ų114.237%0.36954%0.537SS..Hα-helixtrans-60.1-31.3174.2-98.8-154.7-152.600112.8Q766 K774Q766-E770 WeakPolarHBondContact O-CB 3.44Å; Q766-E770 PolarHBondContact O-N 2.96Å; E770-K774 WeakPolarHBondContact O-CB 3.32Å; E770-K774 WeakPolarHBondContact O-CG 3.47Å; E770-K774 PolarHBondContact O-N 2.64Å; E770-K774 IonicContact OE2-NZ 2.64Å; E770-K774 PolarHBondContact OE2-NZ 3.1Å
771R75.6Confident70.6Confident135 Ų135112.1 Ų112.151%0.50954%0.537SS..Hα-helixtrans-74.5-39.2176.6-156-170.7-45.8124.224.2111L767 E768 I769 E773 K774 E775L767-R771 VanDerWaalsContact O-CB 3.31Å; L767-R771 WeakPolarHBondContact O-CB 3.45Å; L767-R771 PolarHBondContact O-N 3.42Å; E768-R771 VanDerWaalsContact CD-NH1 3.33Å; E768-R771 VanDerWaalsContact CD-NH2 3.3Å; E768-R771 PolarHBondContact O-N 3.17Å; E768-R771 VanDerWaalsContact O-N 3.09Å; E768-R771 IonicContact OE1-CZ 2.61Å; E768-R771 VanDerWaalsContact OE1-CZ 3.32Å; E768-R771 IonicContact OE1-NH1 2.64Å; E768-R771 PolarHBondContact OE1-NH1 2.89Å; E768-R771 IonicContact OE1-NH2 2.7Å; E768-R771 PolarHBondContact OE1-NH2 3.18Å; E768-R771 IonicContact OE2-CZ 3.67Å; E768-R771 IonicContact OE2-NH1 2.76Å; E768-R771 PolarHBondContact OE2-NH1 2.66Å; E768-R771 IonicContact OE2-NH2 2.69Å; E768-R771 PolarHBondContact OE2-NH2 2.96Å; I769-R771 PolarHBondContact O-N 3.04Å; R771-E773 VanDerWaalsContact C-N 3.33Å; R771-K774 PolarHBondContact O-N 3.09Å; R771-E775 VanDerWaalsContact O-CB 3.3Å; R771-E775 WeakPolarHBondContact O-CB 3.3Å; R771-E775 PolarHBondContact O-N 3.16Å
772E71Confident68.3Low125 Ų125116.7 Ų116.758%0.58455%0.552SS**Hα-helixtrans-62.8-37.9171.3-71.4-174174.400112E768 I769 E775 K776E768-E772 PolarHBondContact O-N 2.7Å; I769-E772 PolarHBondContact O-N 3.44Å; I769-E772 VanDerWaalsContact O-N 3.17Å; E772-E775 WeakPolarHBondContact O-CB 3.36Å; E772-E775 PolarHBondContact O-N 2.99Å; E772-K776 PolarHBondContact O-N 3.18Å
773E72.1Confident66.3Low106 Ų106118.4 Ų118.450%0.49555%0.552SS.*Hα-helixtrans-72.1-39.8174.7-70.8-170.3157.200112.9I769 R771 E775 K776 L777I769-E773 WeakPolarHBondContact O-CG 3.47Å; I769-E773 PolarHBondContact O-N 3.32Å; R771-E773 VanDerWaalsContact C-N 3.33Å; E773-E775 VanDerWaalsContact C-N 3.31Å; E773-E775 PolarHBondContact O-N 2.83Å; E773-K776 WeakPolarHBondContact O-CB 3.45Å; E773-K776 PolarHBondContact O-N 3.35Å; E773-L777 PolarHBondContact O-N 3.21Å
774K65.4Low63.4Low125 Ų125121.7 Ų121.754%0.54357%0.567SS.*Hα-helixtrans-67-31.8170.7-81.9168178.7145.90112.2E770 R771 K778E770-K774 WeakPolarHBondContact O-CB 3.32Å; E770-K774 WeakPolarHBondContact O-CG 3.47Å; E770-K774 PolarHBondContact O-N 2.64Å; E770-K774 IonicContact OE2-NZ 2.64Å; E770-K774 PolarHBondContact OE2-NZ 3.1Å; R771-K774 PolarHBondContact O-N 3.09Å; K774-K778 WeakPolarHBondContact O-CB 3.35Å; K774-K778 PolarHBondContact O-N 3.2Å
775E66.8Low61.2Low100 Ų100121.9 Ų121.947%0.46758%0.579SS.*Hα-helixtrans-61.6-46.4168.4-109.4-86.6129.100111R771 E772 E773 K778 R779R771-E775 VanDerWaalsContact O-CB 3.3Å; R771-E775 WeakPolarHBondContact O-CB 3.3Å; R771-E775 PolarHBondContact O-N 3.16Å; E772-E775 WeakPolarHBondContact O-CB 3.36Å; E772-E775 PolarHBondContact O-N 2.99Å; E773-E775 VanDerWaalsContact C-N 3.31Å; E773-E775 PolarHBondContact O-N 2.83Å; E775-K778 PolarHBondContact O-N 3.45Å; E775-R779 WeakPolarHBondContact O-CB 3.17Å; E775-R779 WeakPolarHBondContact O-CG 3.42Å; E775-R779 PolarHBondContact O-N 3.26Å; E775-R779 IonicContact OE2-CZ 2.69Å; E775-R779 IonicContact OE2-NE 3.42Å; E775-R779 PolarHBondContact OE2-NE 3.44Å; E775-R779 IonicContact OE2-NH2 2.78Å; E775-R779 PolarHBondContact OE2-NH2 2.85Å
776K61.4Low59Low123 Ų123118.4 Ų118.454%0.53558%0.579SS.*Hα-helixtrans-58.2-54.3173-74.9174.6179.7169.90111.9E772 E773 K778 R779 E780E772-K776 PolarHBondContact O-N 3.18Å; E773-K776 WeakPolarHBondContact O-CB 3.45Å; E773-K776 PolarHBondContact O-N 3.35Å; K776-K778 VanDerWaalsContact C-N 3.26Å; K776-K778 PolarHBondContact O-N 3.49Å; K776-R779 CarbonylContact O-C 3.58Å; K776-R779 WeakPolarHBondContact O-CA 3.46Å; K776-R779 WeakPolarHBondContact O-CB 3.46Å; K776-R779 PolarHBondContact O-N 3.46Å; K776-E780 PolarHBondContact O-N 2.87Å
777L58.7Low56.5Low112 Ų112117.2 Ų117.259%0.58658%0.579SS**Hα-helixtrans-59.1-36.6179.9-75.4168.7000112.5E773 R779 E780 A781E773-L777 PolarHBondContact O-N 3.21Å; L777-R779 VanDerWaalsContact C-N 3.35Å; L777-E780 PolarHBondContact O-N 3.17Å; L777-A781 PolarHBondContact O-N 2.81Å
778K60.6Low54Low172 Ų172118.8 Ų118.875%0.74859%0.588SS**Hα-helixtrans-75.3-24.7177.8-156173.2-170.8-178.40112.7K774 E775 K776K774-K778 WeakPolarHBondContact O-CB 3.35Å; K774-K778 PolarHBondContact O-N 3.2Å; E775-K778 PolarHBondContact O-N 3.45Å; K776-K778 VanDerWaalsContact C-N 3.26Å; K776-K778 PolarHBondContact O-N 3.49Å
779R52.9Low51.6Low155 Ų155122.9 Ų122.959%0.58560%0.604SS**Hα-helixtrans-76-28.4169-75.6-174.4-102.9120.5-12.4113E775 K776 L777 A781E775-R779 WeakPolarHBondContact O-CB 3.17Å; E775-R779 WeakPolarHBondContact O-CG 3.42Å; E775-R779 PolarHBondContact O-N 3.26Å; E775-R779 IonicContact OE2-CZ 2.69Å; E775-R779 IonicContact OE2-NE 3.42Å; E775-R779 PolarHBondContact OE2-NE 3.44Å; E775-R779 IonicContact OE2-NH2 2.78Å; E775-R779 PolarHBondContact OE2-NH2 2.85Å; K776-R779 CarbonylContact O-C 3.58Å; K776-R779 WeakPolarHBondContact O-CA 3.46Å; K776-R779 WeakPolarHBondContact O-CB 3.46Å; K776-R779 PolarHBondContact O-N 3.46Å; L777-R779 VanDerWaalsContact C-N 3.35Å; R779-A781 VanDerWaalsContact C-N 3.31Å
780E48.5Very low49.6Very low158 Ų158125.6 Ų125.674%0.73862%0.615SS**Hα-helixtrans-76.5-14.3172.8-70.7-178.2146.100113.8K776 L777K776-E780 PolarHBondContact O-N 2.87Å; L777-E780 PolarHBondContact O-N 3.17Å
781A45.9Very low48.1Very low73 Ų73128.2 Ų128.260%0.60363%0.625SS**THydrogen-bonded Turntrans-89.6-6.1-173.100000116L777 R779L777-A781 PolarHBondContact O-N 2.81Å; R779-A781 VanDerWaalsContact C-N 3.31Å
782K37.7Very low46.5Very low188 Ų188129.6 Ų129.682%0.81764%0.635SS**  trans-14570.5179.7-72.1-159.9173.9-170.40115.1
783E39.9Very low45Very low109 Ų109128.1 Ų128.151%0.50963%0.631SS.*  trans-141.5139.1145.9-169.3-176.3-176.100108.4A786 T787E783-A786 WeakPolarHBondContact OE1-CA 3.36Å; E783-T787 WeakPolarHBondContact OE1-CB 3.33Å; E783-T787 WeakPolarHBondContact OE1-CG2 3.35Å; E783-T787 PolarHBondContact OE1-N 2.69Å; E783-T787 PolarHBondContact OE1-OG1 2.97Å; E783-T787 PolarHBondContact OE2-N 2.8Å; E783-T787 VanDerWaalsContact OE2-N 3.15Å
784N21.1Very low43.5Very low155 Ų155130.6 Ų130.683%0.82964%0.64SS**SBendcis39.683.9-28.9-66-8.2000119.1
785T36.8Very low42.2Very low131 Ų131133.1 Ų133.180%0.80465%0.651SS**SBendtrans47.2111.7167.852.10000117.3
786A35.3Very low40.7Very low78 Ų78133 Ų13365%0.64566%0.658SS**  cis-154.5135.22.500000113.3E783E783-A786 WeakPolarHBondContact OE1-CA 3.36Å
787T24.7Very low39.2Very low89 Ų89134.4 Ų134.455%0.54667%0.666SS.*  4142.6120.328.70000116E783E783-T787 WeakPolarHBondContact OE1-CB 3.33Å; E783-T787 WeakPolarHBondContact OE1-CG2 3.35Å; E783-T787 PolarHBondContact OE1-N 2.69Å; E783-T787 PolarHBondContact OE1-OG1 2.97Å; E783-T787 PolarHBondContact OE2-N 2.8Å; E783-T787 VanDerWaalsContact OE2-N 3.15Å
788L26.4Very low37.7Very low129 Ų129134.4 Ų134.468%0.67567%0.671SS**  cis-162.2155.842.8-161.470.6000111.4
789K29.9Very low36.1Very low161 Ų161130.5 Ų130.570%0.767%0.665SS**  trans6.7152.2146.4-50.2166.1-169.7166.60118.3
790E36.5Very low34.7Very low134 Ų134129.8 Ų129.863%0.62667%0.672SS**  cis-172150.546.3-154.5171-136.700116.7
791K43.7Very low33.6Very low135 Ų135128.6 Ų128.659%0.58767%0.67SS**  trans51.3121149.6-81.2162.9-154.4153.60121.4
792K42.1Very low32.6Very low164 Ų164132.8 Ų132.871%0.71368%0.677SS**  82.3154120.9-73178172.1-172.50118.8
793D38.9Very low31.9Very low93 Ų93129.4 Ų129.450%0.49767%0.672SS.*  cis-151.4153.81-127.7-24.2000112.3
794K41.3Very low31.7Very low159 Ų159129.5 Ų129.569%0.69168%0.682SS**  trans65.5122.9142.5-76.7157.5-166.9150.10122.6
795K36.3Very low31.9Very low178 Ų178129.2 Ų129.277%0.77468%0.676SS**  69.1128.9105.1-152.6-155.3178.5-160.50116.9
796T35.6Very low31.3Very low98 Ų98131.4 Ų131.460%0.60168%0.68SS**  cis-155.2-160.5-1.823.20000107.7
797Q29.5Very low30.7Very low152 Ų152133.1 Ų133.171%0.7167%0.67SS**  cis-159.6133.914.1-146.5144.4-85.100114.5
798T28.1Very low30.7Very low112 Ų112139.6 Ų139.669%0.68769%0.685SS**  13.7130.5114.4-20.90000115.6
799S26.8Very low30.7Very low90 Ų90139.5 Ų139.563%0.62968%0.679SS**  cis175.7179.64.747.70000112.9
800L24Very low30.4Very low140 Ų140140.4 Ų140.473%0.73368%0.683SS**  trans84.9129.1143.7-111.476.4000119.4
801L24.8Very low30Very low132 Ų132140.6 Ų140.669%0.69169%0.688SS**  55.9152.1128.7-100.652.6000120.5
802E24.2Very low29.4Very low161 Ų161138.6 Ų138.675%0.75269%0.691SS**  cis-150.617014.2-158.4140.1-144.700113.3
803T24.1Very low28.8Very low117 Ų117140.4 Ų140.472%0.71870%0.699SS**  trans-72.7-171.8161.332.90000111
804P36.2Very low28.2Very low111 Ų111140.9 Ų140.972%0.72172%0.716SS**  cis-121.1169.43.439-20.7000113.5
805E24.7Very low27.7Very low150 Ų150139.7 Ų139.770%0.70172%0.722SS**  cis76103.538.3-163.8-173.7-14200115.4Y807E805-Y807 HydrophobicContact CG-CD2 4.37Å
806M23.3Very low27.7Very low177 Ų177137 Ų13787%0.87272%0.723SS**  trans-149.2100.6147.3-164.616069.400111
807Y23.4Very low27.6Very low113 Ų113136.9 Ų136.944%0.44373%0.726SS.*  21.4139.9126.7-89.8-110.3000118.4E805 K809E805-Y807 HydrophobicContact CG-CD2 4.37Å; Y807-K809 HydrophobicContact CD1-CD 4.07Å; Y807-K809 HydrophobicContact CE1-CD 3.57Å; Y807-K809 PolarHBondContact OH-NZ 2.98Å
808W25Very low27.7Very low225 Ų225137.3 Ų137.385%0.85273%0.728SS**  cis-150.4-177.132.1-6374.8000111.9
809K26.2Very low27.6Very low128 Ų128138.1 Ų138.156%0.55773%0.732SS**  177.2128.2-55.2-166.1168.3-173.11720108.9Y807Y807-K809 HydrophobicContact CD1-CD 4.07Å; Y807-K809 HydrophobicContact CE1-CD 3.57Å; Y807-K809 PolarHBondContact OH-NZ 2.98Å
810F24.7Very low27.7Very low180 Ų180140.9 Ų140.979%0.78974%0.739SS**  trans41.6115.7158.3-81.3-107.7000122.8
811D27.8Very low28Very low137 Ų137139.8 Ų139.873%0.73374%0.743SS**  54.6134.1108.2-137.7-25.5000124.1
812S30.2Very low28.1Very low93 Ų93143.6 Ų143.665%0.6575%0.748SS**  trans68.8117.2147.3-80.40000125.2
813K29.1Very low28.3Very low202 Ų202141.3 Ų141.388%0.87874%0.741SS**  trans64.5107.5141.6-64.3178.8179.21720121.6
814A27.6Very low28.5Very low103 Ų103143.8 Ų143.885%0.85174%0.742SS**  trans-160.2163.2134.100000111.3
815V29.5Very low28Very low135 Ų135144.3 Ų144.382%0.81874%0.743SS**  trans-128.9136.2179.5165.70000109.2
816P37.4Very low28.2Very low122 Ų122142 Ų14279%0.79274%0.744SS**  -135.5146119.313.28.7000115.5
817S32Very low28.3Very low94 Ų94139.8 Ų139.866%0.65774%0.74SS**  trans-15.2150.3140.5-610000117.1
818Q32.3Very low28.7Very low162 Ų162141 Ų14176%0.75775%0.754SS**  cis-153.9157.610.9-111.1147.59.200107.7
819T25.4Very low28.8Very low128 Ų128139.5 Ų139.579%0.78576%0.756SS**  -168.3121.378-61.20000111.8
820I29.4Very low28.9Very low148 Ų148136.6 Ų136.676%0.75976%0.763SS**  trans14.1132.3136.3-62.6158.9000116.6
821S29.7Very low29.3Very low118 Ų118137.5 Ų137.583%0.82577%0.766SS**  cis-146.8-17531.660.70000114
822R27.9Very low29.6Very low212 Ų212135.8 Ų135.880%0.877%0.766SS**  trans-149.6123.6-167.9174.8-179.4176.8157.5-0.5113.7
823N29.3Very low29.7Very low112 Ų112140.8 Ų140.860%0.59978%0.776SS**  trans62.1157162.1-53.73.7000116.2
824F26.5Very low29.8Very low169 Ų169136.3 Ų136.374%0.74176%0.761SS**  cis-151.715727.8-85.8-87.7000114.1
825T26.9Very low30.1Very low122 Ų122139.2 Ų139.275%0.74876%0.755SS**  trans57.8140.814750.40000124.8
826S28Very low30.2Very low102 Ų102142.4 Ų142.471%0.71375%0.752SS**  trans81.4117.3139.563.30000122.8
827V26.6Very low30Very low131 Ų131141 Ų14179%0.79474%0.738SS**  trans67.592.4130.8-1750000118.3
828D31.3Very low29.9Very low138 Ų138145.8 Ų145.874%0.73874%0.743SS**  42.6102121.1-17119.9000119.5
829H27.1Very low29.9Very low193 Ų193146.2 Ų146.289%0.89475%0.75SS**  trans-146.1120.9152.7-954000112.2
830G28Very low30Very low68 Ų68150.3 Ų150.370%0.70175%0.751SS**  trans99.2118.5130.200000119.1
831K34.2Very low30Very low198 Ų198149.2 Ų149.286%0.86175%0.751SS**  trans-135.7120.7151.4-74-168.3177.5178.80111.1
832S33.1Very low30.1Very low102 Ų102148.3 Ų148.371%0.71375%0.745SS**  trans37.7126.1137.760.20000119.7
833K32.3Very low30Very low198 Ų198142.8 Ų142.886%0.86174%0.744SS**  53.9137.165.8-61.9-172.1176.3-179.60112.2
834D30.9Very low30.2Very low108 Ų108145.8 Ų145.858%0.57875%0.752SS**  cis-165.5149.838.5-1629.5000113.3
835K34.4Very low30.3Very low164 Ų164144.4 Ų144.471%0.71375%0.753SS**  trans59.5160.3166.2-67.9143.1-173157.10117.9
836R32.4Very low30.4Very low201 Ų201144.5 Ų144.576%0.75875%0.753SS**  cis-169.3168.3-14.7-107.4179.9161.2-111.90.5106.4
837D31.7Very low30.4Very low94 Ų94147 Ų14750%0.50376%0.758SS.*  cis-147.6136.7-5.9-93.5-48.7000105.8
838Y30.4Very low30.5Very low194 Ų194145.7 Ų145.776%0.76175%0.754SS**  73.1108.379.2-82.5-65.6000119.5
839L32.4Very low30.4Very low171 Ų171145.4 Ų145.490%0.89576%0.757SS**  trans-16587.5148.3-101.6162.9000106.8
840W26.8Very low31.4Very low213 Ų213141 Ų14181%0.80775%0.746SS**  49.4116.196.1-127.1-65.6000112.2
841T30.7Very low31.6Very low125 Ų125145.5 Ų145.577%0.76775%0.753SS**  -158.7146.557.5-52.80000115.5
842S30.9Very low32.7Very low99 Ų99141.1 Ų141.169%0.69275%0.745SS**  trans-75.8153.6177.872.80000117.2
843A27.1Very low32.6Very low96 Ų96146.1 Ų146.179%0.79375%0.754SS**  -176.7150.4128.200000109.2
844K31.8Very low32.4Very low176 Ų176140.5 Ų140.577%0.76574%0.744SS**  cis171.6146.5-24.6-124.6-176.2-179.5179.90104.1
845N28.7Very low32.2Very low140 Ų140145.1 Ų145.175%0.74976%0.755SS**  trans71141.5168.5-50.1-9.7000115.8
846T28.7Very low32Very low123 Ų123144.3 Ų144.376%0.75576%0.764SS**  cis-155.2152.7-64.10000112.1
847L29.1Very low32.1Very low155 Ų155139.5 Ų139.581%0.81276%0.757SS**  trans5.1144.7136.5-99.766.2000119.3
848S29.2Very low32.2Very low103 Ų103145 Ų14572%0.7278%0.776SS**  cis-157.2154.910.6-52.40000114.2
849T29.4Very low32.5Very low132 Ų132141.5 Ų141.581%0.8178%0.775SS**  trans-82-177.5150.30.90000110.3
850P47.8Very low33.4Very low100 Ų100138.7 Ų138.765%0.64977%0.767SS**  cis-144.7-177.3-7.536.7-14.7000118.1
851L31.1Very low33.5Very low163 Ų163135 Ų13585%0.85377%0.769SS**  trans77.5165.8140.5-103.871.3000119.9
852P58.2Low34Very low106 Ų106138.6 Ų138.669%0.68877%0.773SS**  -142.6-169.9-124.741.8-18.1000116.2
853K30.6Very low34.8Very low208 Ų208138.9 Ų138.990%0.90477%0.773SS**  trans-175.7160.8155.1-100149.1-178.4177.70108.8
854A27.1Very low34.8Very low80 Ų80143.1 Ų143.166%0.66177%0.773SS**  cis-168.5139-34.800000108.6
855Y28.2Very low34.8Very low205 Ų205141.7 Ų141.780%0.80477%0.773SS**  trans32.8124.3160.7-75.2-90.2000121.5V857Y855-V857 HydrophobicContact CD1-CG2 4.39Å
856T30.3Very low34.8Very low147 Ų147141.6 Ų141.690%0.90277%0.768SS**  -148.3146.3113.4-22.90000110.9
857V33.1Very low34.8Very low99 Ų99142.5 Ų142.560%0.676%0.764SS**  trans-130.4130-177.6173.50000109.7Y855Y855-V857 HydrophobicContact CD1-CG2 4.39Å
858K35.2Very low34.7Very low210 Ų210144 Ų14491%0.91376%0.759SS**  trans-145124.2149.1-72.1-160.6177.2-178.50110.9
859T36.8Very low34.7Very low121 Ų121144.8 Ų144.874%0.74275%0.751SS**  trans-122.5-156.5174.946.10000108.1
860P51.7Low34.7Very low111 Ų111144.3 Ų144.372%0.72174%0.744SS**  -119.9-179-78.537.3-23.4000112.3
861T27Very low33.9Very low137 Ų137146.7 Ų146.784%0.8475%0.751SS**  trans-149.1124.3160-46.80000115.2
862K42.1Very low34Very low199 Ų199145.9 Ų145.987%0.86575%0.747SS**  trans-141.9147.2147.9-72.1-172.5177.6-178.50104.5
863P46.8Very low32.8Very low106 Ų106148.7 Ų148.769%0.68876%0.755SS**  -161.5166.788.841.9-21.7000119
864K28.6Very low32.9Very low184 Ų184143.7 Ų143.780%0.874%0.743SS**  trans64.7119.9138.8-77.7170.3-176.7-1780122.7
865L31.1Very low32.9Very low146 Ų146146.7 Ų146.776%0.76475%0.747SS**  59.3148.7111.4-100.472.6000120
866Q28.3Very low32.9Very low138 Ų138144.5 Ų144.565%0.64574%0.744SS**  cis-167.4145.412.6-168.5172.6-8.300112.4
867Q29Very low32.8Very low142 Ų142146.3 Ų146.366%0.66474%0.742SS**  trans60.5152.9159.3-82173.224.700117.3
868R27.2Very low33.3Very low186 Ų186144.4 Ų144.470%0.70273%0.733SS**  cis-161.7169.818.8-119.9161.3-167.6-102.66.2106.9
869E28.8Very low33.2Very low120 Ų120140.1 Ų140.156%0.56172%0.72SS**  cis-165.7-179.40.5-145.7168.7-52.100111
870N29Very low33.2Very low122 Ų122142.2 Ų142.265%0.65272%0.719SS**  trans40.1103.1153-59.8-32.2000121.5
871L31.6Very low32.6Very low151 Ų151145.5 Ų145.579%0.79172%0.722SS**  -174.1133.291.6-96.5170.4000113
872N32.6Very low33.1Very low145 Ų145149 Ų14978%0.77572%0.72SS**  trans62.6138.9158.7-59.2-19.3000121.7
873I32.9Very low32.6Very low166 Ų166148.7 Ų148.785%0.85172%0.718SS**  trans-131.8132168.1-74.3168.8000105
874P34.4Very low31.9Very low103 Ų103150.8 Ų150.867%0.66972%0.721SS**  -155.2159.8111.641.8-23.9000117.3
875I25.5Very low31.9Very low143 Ų143146.5 Ų146.573%0.73372%0.72SS**  trans46.6104.2130.6-60.5171.7000116.1
876E28.9Very low31.9Very low159 Ų159149 Ų14974%0.74373%0.725SS**  59.5121.386.7-175.7-165.7178.500113.9
877E28.8Very low31.9Very low184 Ų184151.2 Ų151.286%0.8674%0.735SS**  trans-144.5132.9143.5-148.3178.7-132.500111.8
878S43.1Very low32.1Very low59 Ų59153.9 Ų153.941%0.41375%0.745SS.*  trans-126.1124-179.965.30000111.5
879N32.1Very low32.2Very low121 Ų121151.2 Ų151.265%0.64775%0.745SS**  trans-147.891.2173.7-88.7-61.8000109.7
880K37.2Very low32.8Very low164 Ų164152.4 Ų152.471%0.71375%0.753SS**  53.9108.574.3-62.7175177160.20114.2
881K39.6Very low33Very low181 Ų181153 Ų15379%0.78776%0.757SS**  166.9147.9125.4-85.6146-167.5166.60110.5
882R37.6Very low33.4Very low210 Ų210151.5 Ų151.579%0.79276%0.758SS**  cis-177.1134.9-25-176.6-169-68.9-178.5-2.9106.6
883K32.3Very low33.8Very low192 Ų192151.6 Ų151.684%0.83576%0.759SS**  trans162.7146.7149.8-96.1176178-167.70108.3
884M30.3Very low33.9Very low150 Ų150149.4 Ų149.474%0.73976%0.758SS**  cis-159.6133.5-30178.5159.6-97.200105.5
885A30.1Very low34.4Very low94 Ų94149.6 Ų149.678%0.77776%0.762SS**PPolyproline II helixtrans-76.4141.8172.300000109.4
886F29.7Very low34.9Very low198 Ų198152 Ų15287%0.86877%0.771SS**PPolyproline II helixtrans-99.4130.5155.3-93.7-87.4000107.5
887E29.1Very low35.4Very low186 Ų186150 Ų15087%0.86977%0.769SS**PPolyproline II helixtrans-75.4143.9165-74.1165115.100108.7D889E887-D889 PolarHBondContact O-N 3.41Å
888F32.8Very low35.7Very low197 Ų197146.6 Ų146.686%0.86476%0.761SS**  trans-77.5115.1164.3-87.3-88.9000107.9I890F888-I890 PolarHBondContact O-N 2.91Å
889D29.6Very low35.2Very low130 Ų130150.3 Ų150.370%0.69578%0.777SS**  trans-70.5121.7166.7-170.60.3000108.9E887 N891E887-D889 PolarHBondContact O-N 3.41Å; D889-N891 PolarHBondContact OD1-ND2 2.78Å
890I41.1Very low35.4Very low146 Ų146152.6 Ų152.675%0.74979%0.788SS**  trans-104.475.8178.4-53.2179.2000107.9F888F888-I890 PolarHBondContact O-N 2.91Å
891N32.8Very low35.1Very low135 Ų135152.2 Ų152.272%0.72279%0.793SS**  trans-119.778.4168.5-83.3-67.6000109.5D889 D893D889-N891 PolarHBondContact OD1-ND2 2.78Å; N891-D893 PolarHBondContact O-N 2.9Å
892S41Very low34.6Very low118 Ų118149 Ų14983%0.82579%0.793SS**  trans-73108.4165.1-62.30000109.3
893D40.8Very low34.3Very low147 Ų147146.5 Ų146.579%0.78679%0.792SS**  trans-144.898.2167.3-163.17.7000112.2N891N891-D893 PolarHBondContact O-N 2.9Å
894S35Very low34.1Very low120 Ų120143 Ų14384%0.83979%0.787SS**  trans-165.482.1154.666.50000109.5
895S45.3Very low34.4Very low108 Ų108140.7 Ų140.776%0.75579%0.785SS**  trans-85.8119162.260.30000109.7
896E36.6Very low34.4Very low194 Ų194145.1 Ų145.191%0.90779%0.79SS**  trans-147.6155.7159.7-133.5165-143.600110.5
897T38.8Very low34.6Very low116 Ų116144.4 Ų144.471%0.71279%0.789SS**  trans-136.1175.2-158590000112.9
898T34.9Very low34.9Very low113 Ų113143.9 Ų143.969%0.69379%0.787SS**  trans73.7126.115530.10000119.1
899D32.7Very low34.8Very low137 Ų137141.2 Ų141.273%0.73379%0.787SS**  trans63.1133.2151.2-63.7-8.3000119.3
900L35.5Very low34.8Very low168 Ų168143.2 Ų143.288%0.8880%0.796SS**  cis-136.1150.944.5-83.1163.4000115.7
901L32.3Very low34.4Very low156 Ų156144 Ų14482%0.81780%0.795SS**  trans-75.5137.8163.7-73.3161.2000111
902S29.1Very low34.3Very low114 Ų114143.3 Ų143.380%0.79780%0.795SS**  trans-144.6109153.2-166.10000109
903M30.5Very low33.8Very low157 Ų157145.2 Ų145.277%0.77380%0.796SS**  trans-100.8126.4166.1-72.4-163.772.600108.8
904V27.6Very low33.2Very low120 Ų120149 Ų14973%0.72780%0.801SS**  trans-124.1119153177.60000105.7E906V904-E906 HydrophobicContact CG1-CG 4.39Å
905S37.7Very low32.8Very low100 Ų100153.9 Ų153.970%0.69980%0.8SS**  trans-91.7119.3173.6-55.40000108.5
906E30.1Very low31.9Very low187 Ų187157.6 Ų157.687%0.87480%0.803SS**  trans-123.6108.6161.1-72.2-172.1171.500108V904V904-E906 HydrophobicContact CG1-CG 4.39Å
907E33Very low31.5Very low184 Ų184155.6 Ų155.686%0.8680%0.798SS**  trans-103.3165.1169.3-171.6158.6-163.300108.3
908E34.7Very low31.1Very low175 Ų175157.2 Ų157.282%0.81880%0.803SS**  trans61.577.1179.2-54.8-153.4120.100117.4
909T31.3Very low31.1Very low141 Ų141157.6 Ų157.687%0.86581%0.807SS**  -168.2117.4118.815.90000111.6
910L30.4Very low31.2Very low171 Ų171157.1 Ų157.190%0.89581%0.811SS**  trans172.872.9148.7-96.6163.7000111.3
911K33.2Very low31Very low163 Ų163153.3 Ų153.371%0.70980%0.804SS**  trans-110.3149.9152-79.7175.9-1781650107.2
912T30.5Very low31.1Very low120 Ų120150.7 Ų150.774%0.73680%0.799SS**  trans70.8144.4-169.979.30000113.7
913L29.6Very low31.1Very low159 Ų159153.7 Ų153.783%0.83280%0.8SS**  cis-150.3139.2-2.8-130.8167.2000110.4
914Y28.2Very low31.1Very low227 Ų227154.1 Ų154.189%0.8981%0.805SS**  trans-125.193.6-177.9-139.5-74.5000110.8
915R26.4Very low31.1Very low222 Ų222154.6 Ų154.684%0.83881%0.812SS**  trans-179.9144.6155.5-110.2170.3178.8-144.7-8.1114.2
916K27.6Very low30.8Very low185 Ų185155.3 Ų155.380%0.80481%0.812SS**  trans60.1121.2169.1-72.2-171.2172.4-173.30115.3
917N27.4Very low30.8Very low152 Ų152155.7 Ų155.781%0.81381%0.811SS**  -150.1168.259.8-81.9-51.8000113.7
918N29.7Very low30.7Very low150 Ų150152.5 Ų152.580%0.80280%0.804SS**PPolyproline II helixtrans-75.4155.5177.6-65.3-6.7000112.1
919P34.7Very low30.6Very low121 Ų121150.5 Ų150.579%0.78681%0.806SS**PPolyproline II helixtrans-76137.9-179.330.4-35.3000112.8
920P36.5Very low30.5Very low127 Ų127153 Ų15383%0.82581%0.805SS**PPolyproline II helixtrans-79133.4158.432.4-30.5000109.9
921A30.3Very low30.5Very low88 Ų88154.2 Ų154.273%0.72780%0.803SS**PPolyproline II helixtrans-82.9156.817600000112.2
922S34.4Very low30.7Very low102 Ų102150.9 Ų150.971%0.71381%0.806SS**  trans63.2131.6172.968.30000115.8
923H29.6Very low31.1Very low177 Ų177150.8 Ų150.882%0.81981%0.807SS**  -155.3138.264.6-99.5-86.9000113.7
924L30.2Very low31.1Very low165 Ų165148.7 Ų148.786%0.86481%0.806SS**  trans-78.5133.4167.1-161.481.4000110
925C26.6Very low31.2Very low131 Ų131142.4 Ų142.489%0.88580%0.795SS**  trans-128.8132.2171.3-168.10000111.4
926V33.4Very low31.4Very low114 Ų114139.2 Ų139.269%0.69179%0.794SS**  trans-93.5136.3-163.2173.80000112.8
927K28.8Very low31.5Very low195 Ų195136.4 Ų136.485%0.84879%0.792SS**  trans-140.789.8154.3-74.3-165.4178.1170.30114.9
928T30.7Very low31.6Very low118 Ų118135.1 Ų135.172%0.72479%0.79SS**  trans44.8119.2135.159.30000121.2
929P32.9Very low31.8Very low132 Ų132133.8 Ų133.886%0.85779%0.79SS**  trans-83.8172.6167.636.5-36.2000113.3
930K29.3Very low31.4Very low193 Ų193131.3 Ų131.384%0.83979%0.786SS**  trans-151111.8175.8-137.6174.6-169.6172.90114.2
931K31Very low31.1Very low198 Ų198130.6 Ų130.686%0.86178%0.784SS**  trans69.2124.4171.6-55.7-179.6176.8-175.20115.1
932A35.9Very low31Very low93 Ų93132.4 Ų132.477%0.76979%0.786SS**  cis92.3134.738.800000113.7
933P40.7Very low30.6Very low118 Ų118134.6 Ų134.677%0.76679%0.787SS**  -147.9-178.3113.441.3-27000115.6
934S28.1Very low30.6Very low115 Ų115133.9 Ų133.980%0.80478%0.781SS**  trans74.6148.1163.780.60000118.2
935S30.4Very low30.5Very low95 Ų95135.7 Ų135.766%0.66478%0.783SS**  cis-163.1168.2-21.354.50000112.4
936L32.1Very low30.5Very low155 Ų155133.2 Ų133.281%0.81278%0.78SS**  trans68.8151.3165.9-63156.9000116.5
937T28.1Very low30.3Very low125 Ų125132 Ų13277%0.76778%0.782SS**  cis-135.41617.5-35.20000112.5
938T29.5Very low30.3Very low126 Ų126130 Ų13077%0.77378%0.779SS**  trans-74.1152-173.6-18.40000115.9
939P34Very low30.5Very low122 Ų122135.7 Ų135.779%0.79279%0.787SS**  trans-114.2147.8144.436.4-29000111.8
940G26.6Very low30.7Very low69 Ų69138.3 Ų138.371%0.71179%0.785SS**  trans-110.7166.8-177.300000115.3
941S31.4Very low30.7Very low112 Ų112137.5 Ų137.578%0.78379%0.786SS**  trans82.3110.2163.3760000120.6
942T26.3Very low30.9Very low125 Ų125138.9 Ų138.977%0.76779%0.786SS**  trans71.3127.7133.342.70000124.9
943M26.7Very low31Very low149 Ų149141.6 Ų141.673%0.73478%0.783SS**  trans88.4102.3134.7-77.7175.645.900122.7
944K29Very low30.8Very low161 Ų161142.6 Ų142.670%0.778%0.782SS**  85.3120.8120.1-77.6-174.3-172.9179.10121.9
945F28.9Very low31Very low204 Ų204147.5 Ų147.590%0.89578%0.782SS**  trans60140.1147.7-68-71.4000120.2
946G26.9Very low31.8Very low79 Ų79155 Ų15581%0.81480%0.796SS**  trans169.865175.300000116.3
947A29.1Very low32.3Very low89 Ų89151.3 Ų151.374%0.73679%0.788SS**  trans-54.1143.3-17200000119.2
948I29.6Very low33.1Very low153 Ų153149.7 Ų149.779%0.78578%0.778SS**  trans50.8118131.4-54.4165000119.7
949R33.9Very low33.7Very low237 Ų237151.2 Ų151.289%0.89478%0.78SS**  -167.2164.3112.5-155.5150.5-73.5-157.3-2.2113.5
950K36.7Very low34.1Very low186 Ų186149.8 Ų149.881%0.80978%0.778SS**  trans-98.1175.8-177.6-66.4-177.3175.1-178.30113.6
951M30.9Very low35Very low176 Ų176155.1 Ų155.187%0.86778%0.782SS**  trans92.2120.7161.7-58.4-174176.400114.6
952R35Very low35.6Very low228 Ų228157.3 Ų157.386%0.8678%0.782SS**  98.3148.753.3-157.2177-165-170.15.9109.8
953E36.9Very low36.7Very low150 Ų150156.2 Ų156.270%0.70177%0.771SS**  trans-66.7-176-157.5-63.995.514900117.2
954D35.9Very low37.7Very low139 Ų139159.8 Ų159.874%0.74378%0.776SS**  trans82.574.9167.7-61.9-22.7000120.2
955R32.4Very low38.6Very low217 Ų217160.6 Ų160.682%0.81978%0.78SS**  trans-140.159.7149.2-69.2-164.6-175.8-90.4-4.4114.3A957 V958R955-A957 PolarHBondContact O-N 3.22Å; R955-V958 HydrophobicContact CB-CG2 4.44Å
956W48.9Very low39.6Very low252 Ų252157.9 Ų157.996%0.95577%0.767SS**THydrogen-bonded Turntrans-62.4-0.5171.5-94.593.1000115.5
957A42.1Very low40.8Very low79 Ų79161.4 Ų161.465%0.65376%0.76SS**THydrogen-bonded Turntrans-109.9-3.7-164.500000116.9R955R955-A957 PolarHBondContact O-N 3.22Å
958V44.7Very low41.7Very low90 Ų90163.7 Ų163.755%0.54576%0.759SS.*SBendtrans-94.5-40-168-179.20000114R955 A960R955-V958 HydrophobicContact CB-CG2 4.44Å; V958-A960 PolarHBondContact O-N 3.02Å
959I41.7Very low42.6Very low159 Ų159164.3 Ų164.382%0.81576%0.756SS**G310 helixtrans-68.5-36.3-172.1-62.8176.9000111.9K961 M962I959-K961 PolarHBondContact O-N 3.27Å; I959-M962 PolarHBondContact O-N 3.34Å
960A42.8Very low43.3Very low91 Ų91159.6 Ų159.675%0.75275%0.745SS**G310 helixtrans-67.4-6.4-173.900000116.1V958V958-A960 PolarHBondContact O-N 3.02Å
961K44.9Very low43.9Very low182 Ų182155 Ų15579%0.79174%0.741SS**G310 helixtrans-112-10.9-178.6-74-172.7176.8179.30115.5I959I959-K961 PolarHBondContact O-N 3.27Å
962M44.7Very low44.7Very low158 Ų158154.5 Ų154.578%0.77874%0.737SS**THydrogen-bonded Turntrans-84.5-26.7-174.5-163141.674.100114I959I959-M962 PolarHBondContact O-N 3.34Å
963D49.2Very low45.4Very low101 Ų101152.3 Ų152.354%0.5473%0.734SS.*SBendtrans-83.1-35.5-171.4-153.723.6000113.8K965 K966D963-K965 PolarHBondContact O-N 3.35Å; D963-K965 VanDerWaalsContact O-N 3.09Å; D963-K966 PolarHBondContact O-N 2.98Å; D963-K966 VanDerWaalsContact O-N 3.1Å
964R48.3Very low45.9Very low225 Ų225152.8 Ų152.885%0.84974%0.74SS**THydrogen-bonded Turntrans-60.9-20.6177.4-91.8-176172.1163.9-1.2114.4
965K46.8Very low46.2Very low177 Ų177156.2 Ų156.277%0.7775%0.749SS**THydrogen-bonded Turntrans-94.4-8.7179.1-129.4177.7-173.2179.40114.2D963D963-K965 PolarHBondContact O-N 3.35Å; D963-K965 VanDerWaalsContact O-N 3.09Å
966K49.7Very low46.5Very low147 Ų147156.3 Ų156.364%0.63977%0.773SS**THydrogen-bonded Turntrans-89.9-50.9177.2-156.2175.1-177.2-174.40111.2D963 L968 K969D963-K966 PolarHBondContact O-N 2.98Å; D963-K966 VanDerWaalsContact O-N 3.1Å; K966-L968 PolarHBondContact O-N 3.15Å; K966-L968 VanDerWaalsContact O-N 3.14Å; K966-K969 PolarHBondContact O-N 2.83Å
967K51.7Low46.4Very low153 Ų153151.6 Ų151.667%0.66576%0.764SS**THydrogen-bonded Turntrans-65.9-16.6-178.7-62.9-155.7175.6-169.50115.4
968L49Very low46.6Very low137 Ų137155.4 Ų155.472%0.71777%0.77SS**THydrogen-bonded Turntrans-87.8-7.2178.4-145.7128.2000113.7K966K966-L968 PolarHBondContact O-N 3.15Å; K966-L968 VanDerWaalsContact O-N 3.14Å
969K47.6Very low46.7Very low166 Ų166159 Ų15972%0.72278%0.782SS**THydrogen-bonded Turntrans-103.8-9.3177.9-78.4-160.5168.4-1620115.2K966K966-K969 PolarHBondContact O-N 2.83Å
970E48.7Very low47Very low138 Ų138159 Ų15965%0.64578%0.78SS**SBendtrans-89.6-20.2173.5-74.1172.4142.400112.4E972E970-E972 VanDerWaalsContact C-N 3.3Å; E970-E972 PolarHBondContact O-N 2.72Å
971A50.3Low47.3Very low89 Ų89163.3 Ų163.374%0.73678%0.782SS**THydrogen-bonded Turntrans-74.2-15177.800000114.4
972E46.9Very low47.4Very low167 Ų167162 Ų16278%0.7878%0.781SS**THydrogen-bonded Turntrans-107.615.8-170.2-154.2171.8-13800112.9E970E970-E972 VanDerWaalsContact C-N 3.3Å; E970-E972 PolarHBondContact O-N 2.72Å
973K51.1Low47.6Very low182 Ų182162.3 Ų162.379%0.79178%0.782SS**SBendtrans-135.734.9-179.9-74.5-158169.6-162.50114.7
974L46.7Very low47.5Very low159 Ų159167 Ų16783%0.83280%0.8SS**  trans-125.534.2167.7-75.1175000112.8
975F41.8Very low47.4Very low212 Ų212162.2 Ų162.293%0.9380%0.796SS**  trans-127.481.1159-87.5-73.6000109.7
976V38.7Very low47.5Very low219 Ų219160.8 Ų160.8100%1.32780%0.799SS**  trans173.90150.31500000106.8

Retrieved 976 of 976 residues in 658.1 ms (Link to these results)