A0A087WS36_MOUSE Loading...

Snf2-related CREBBP activator protein

AlphaFold DB , UniProt , Accession A0A087WS36, Species MOUSE (Mus musculus, Mouse), Gene Srcap, Length 445 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.7Very low41.7Very low216 Ų216143.5 Ų143.5100%1.06484%0.836SS**  0143.90-67170.57100107.3
2Q40.2Very low41.4Very low168 Ų168145.2 Ų145.279%0.78584%0.838SS**  trans55.4106.9164.5-59.4177.758.200116.1
3S43.9Very low41.9Very low120 Ų120141.8 Ų141.884%0.83982%0.824SS**  94.1126.166.2-72.30000112.5
4S41.8Very low41.8Very low116 Ų116143.8 Ų143.881%0.81183%0.827SS**  trans-78.6175.7174.6-40.90000111.7
5P56.1Low41.4Very low126 Ų126144.8 Ų144.882%0.81883%0.828SS**  -141.7179.878.639-22.4000115.3
6S37.8Very low41.1Very low113 Ų113146.9 Ų146.979%0.7983%0.828SS**  trans-109.8151.5170.7178.50000109.9
7T39.7Very low40.8Very low135 Ų135146.3 Ų146.383%0.82883%0.829SS**  trans-131.4131167.9-60.10000108.5
8A37.9Very low40.5Very low88 Ų88147.7 Ų147.773%0.72783%0.827SS**PPolyproline II helixtrans-93151.8-176.600000112.6
9H40.8Very low40.5Very low185 Ų185149 Ų14986%0.85683%0.828SS**PPolyproline II helixtrans-82.5131.4163.7-70.8-96.5000109.6
10P45.1Very low40.2Very low123 Ų123147.5 Ų147.580%0.79982%0.823SS**PPolyproline II helixtrans-75.7132.9173.830.4-32.9000111
11Q38.1Very low39.8Very low188 Ų188146.2 Ų146.288%0.87982%0.824SS**PPolyproline II helixtrans-96121.6174.5-175.91785.700108.8
12L38Very low40.1Very low164 Ų164143.4 Ų143.486%0.85981%0.813SS**PPolyproline II helixtrans-80.1129.1178-67.2177.5000110.7
13P47.4Very low40.1Very low102 Ų102138.5 Ų138.566%0.66281%0.808SS**PPolyproline II helixtrans-85.5149.7178.634-34.3000112.4
14I40.7Very low39.6Very low169 Ų169141.3 Ų141.387%0.86781%0.81SS**PPolyproline II helixtrans-71.5129166.2-62.9165.3000108
15L35.9Very low39.3Very low159 Ų159142.3 Ų142.383%0.83281%0.812SS**  trans-106126171-73.5179.2000111
16Q35.8Very low38.3Very low179 Ų179139.8 Ų139.884%0.83681%0.808SS**  trans-99.5113.4178.1175.7-179.6-400108.2Q18Q16-Q18 PolarHBondContact O-N 3.09Å; Q16-Q18 VanDerWaalsContact O-N 3.07Å
17T36.1Very low38Very low136 Ų136140.1 Ų140.183%0.83481%0.811SS**  trans-69.1107.2178.1-58.70000110.5
18Q36.1Very low38Very low172 Ų172140.9 Ų140.980%0.80481%0.81SS**PPolyproline II helixtrans-93.3127.1170.6-175.8175.311.400108.9Q16Q16-Q18 PolarHBondContact O-N 3.09Å; Q16-Q18 VanDerWaalsContact O-N 3.07Å
19M40.1Very low38.5Very low172 Ų172143 Ų14385%0.84782%0.816SS**PPolyproline II helixtrans-77.5128.9178-57.2-155.7-6100110.3
20V34Very low38.2Very low119 Ų119140.5 Ų140.572%0.72181%0.813SS**PPolyproline II helixtrans-88.1135.3178.4-177.70000109.1
21S33.6Very low37.9Very low120 Ų120140.1 Ų140.184%0.83981%0.814SS**  trans-115.893.6172.4-60.60000109.3
22D43.7Very low38.4Very low157 Ų157137.3 Ų137.384%0.8481%0.812SS**  trans-72.7144.5167.9-77.3-52.8000110.6
23G38.7Very low38.1Very low66 Ų66133.8 Ų133.868%0.6881%0.806SS**  trans-159.1121-179.500000112.8
24M34.7Very low37.4Very low178 Ų178134.4 Ų134.488%0.87781%0.813SS**  trans-145.3141.6170.2-92.1126.1-170.100111.1
25T35.2Very low37.1Very low138 Ų138132.2 Ų132.285%0.84781%0.813SS**  trans30.5116.9150.660.50000118.1
26G33.9Very low36.9Very low73 Ų73130 Ų13075%0.75381%0.811SS**  cis110.711816.600000111.5
27S33.4Very low36.8Very low120 Ų120127 Ų12784%0.83981%0.809SS**  trans-160.8140.9171.4-82.90000110.3
28N38.2Very low37.6Very low151 Ų151125.7 Ų125.781%0.80780%0.803SS**PPolyproline II helixtrans-89.5139.6178.7-64.8-35.7000111
29P49.5Very low37.2Very low131 Ų131124.3 Ų124.385%0.85180%0.801SS**PPolyproline II helixtrans-74137.7151.731.9-30.9000109.6
30V34.5Very low36.9Very low133 Ų133120.6 Ų120.681%0.80679%0.792SS**PPolyproline II helixtrans-102.9149.1-177-65.10000112.4
31S38.1Very low36.9Very low116 Ų116120.9 Ų120.981%0.81180%0.799SS**PPolyproline II helixtrans-89.9132.5171.2-510000111.4
32P49.6Very low36.7Very low129 Ų129118.5 Ų118.584%0.83879%0.794SS**PPolyproline II helixtrans-81.6156.2158.534.4-32.3000110.5
33A31.5Very low36.4Very low90 Ų90116.3 Ų116.374%0.74480%0.798SS**  trans-147.7149.6-175.100000115.4
34S32.4Very low36.1Very low114 Ų114117.2 Ų117.280%0.79781%0.807SS**  trans85.9147.6145.9-61.80000122.1
35S34.1Very low35.9Very low123 Ų123111.9 Ų111.986%0.8680%0.798SS**  trans75.3140.5170.376.90000116.8
36S30.8Very low35.8Very low114 Ų114113.3 Ų113.380%0.79780%0.799SS**  cis-144.5164.95.6510000113.6
37S34.3Very low35.8Very low115 Ų115115.3 Ų115.380%0.80480%0.801SS**  trans-108.3169.4168.5-37.90000109.2
38P52.6Low36.5Very low108 Ų108115 Ų11570%0.70180%0.796SS**  -149.1-174.564.441.3-21.4000116.5
39D27.6Very low36.3Very low144 Ų144117.6 Ų117.677%0.7780%0.803SS**  trans68.8148154.8-81-44.4000120.1
40S33.7Very low35.5Very low93 Ų93119.4 Ų119.465%0.6580%0.8SS**  cis-164.6161.1-21.2-133.40000112
41S35.2Very low35.4Very low125 Ų125120.3 Ų120.387%0.87480%0.799SS**  trans66.3141.6168.1-580000118.3
42G29.9Very low35.2Very low70 Ų70118.3 Ų118.372%0.72279%0.789SS**  cis174.5165-6.200000113.2
43A36.7Very low34.5Very low112 Ų112120.6 Ų120.693%0.92679%0.789SS**  trans52.8123.6175.700000116.9
44G32Very low34.5Very low84 Ų84123.1 Ų123.187%0.86679%0.79SS**  cis106143.83000000109.6
45G30.1Very low34.7Very low67 Ų67122.7 Ų122.769%0.69179%0.787SS**  cis166.7144-6.300000110.7
46I34Very low34.7Very low168 Ų168123.1 Ų123.186%0.86279%0.79SS**  trans44.9109.416558.3165.1000118.2
47S32.8Very low34.9Very low115 Ų115126 Ų12680%0.80480%0.795SS**  123.8162.667.6-85.40000109.4
48P48.2Very low34.8Very low114 Ų114128.5 Ų128.574%0.7480%0.8SS**  trans-110.9170.1-154.241-35.7000115.9
49Q34.8Very low33.9Very low204 Ų204126 Ų12695%0.95379%0.794SS**  trans-143.7179.5149.7-80.2-141.119.100111.9
50H32.5Very low34.6Very low170 Ų170125.1 Ų125.179%0.78780%0.796SS**  trans-113.5-178-152.2173.6-99.4000113.2
51I32.7Very low35.1Very low152 Ų152126.9 Ų126.978%0.77981%0.805SS**  trans89.4140.2176.7-55.2161.2000114.2
52A33Very low35Very low74 Ų74124.1 Ų124.161%0.61280%0.796SS**  cis-172.7155.6-33.100000109.3
53Q35.3Very low35.5Very low177 Ų177127 Ų12783%0.82780%0.802SS**  trans59.6110150.5-80.6-174.2-4800122.1
54D31.5Very low35.4Very low143 Ų143130.9 Ų130.977%0.76580%0.801SS**  105.4155.8120.8-116.3-40.4000120.8
55S36.3Very low35.4Very low104 Ų104134.9 Ų134.973%0.72780%0.803SS**  trans-125.6145.3-156.2-44.10000112.2
56S34.3Very low35.6Very low133 Ų133135 Ų13593%0.9380%0.804SS**  trans-135.6135.3160.9-77.90000108.7
57L35.6Very low35.6Very low174 Ų174133.3 Ų133.391%0.91180%0.802SS**  trans-131.6112.4-168.7-167.3158.2000107.9
58D32.8Very low35.6Very low167 Ų167134 Ų13489%0.89380%0.801SS**  trans-132140.1179.2-17635000109.2
59G32.6Very low35Very low56 Ų56134.8 Ų134.858%0.57780%0.804SS**  trans171.5123.4-169.900000111.9
60P43.1Very low35.1Very low126 Ų126130.6 Ų130.682%0.81879%0.794SS**PPolyproline II helixtrans-83.3153.5-169.732.7-36.1000113.8
61P44Very low35Very low130 Ų130130.8 Ų130.884%0.84480%0.8SS**PPolyproline II helixtrans-83147.8179.433.6-35.3000113.4
62G32.1Very low35.3Very low67 Ų67132.6 Ų132.669%0.69181%0.805SS**PPolyproline II helixtrans-93.7162.3162.600000112.3
63P41.2Very low35.3Very low129 Ų129132 Ų13284%0.83881%0.806SS**PPolyproline II helixtrans-82.5157.9-179.834.7-35.6000112.8
64Q35.6Very low35.2Very low195 Ų195133.8 Ų133.891%0.91181%0.812SS**  trans-137.1134.4161.1-72.3-164.2-36.700110.3
65D32Very low35.3Very low167 Ų167132.7 Ų132.789%0.89382%0.815SS**  trans-74.8150.4169.9-76-62.3000111.5
66G33.7Very low35.3Very low70 Ų70135.6 Ų135.672%0.72282%0.822SS**  trans-138.763.7-174.200000113.1T68G66-T68 PolarHBondContact O-N 3.41Å
67T34.5Very low35.8Very low133 Ų133134.5 Ų134.582%0.81681%0.814SS**  trans-70.6108.1176.2-59.60000110.9
68T31.9Very low35.8Very low129 Ų129133.7 Ų133.779%0.79181%0.805SS**  trans-128.9125.2164.5520000110.4G66G66-T68 PolarHBondContact O-N 3.41Å
69V36Very low36.6Very low131 Ų131131 Ų13179%0.79481%0.806SS**PPolyproline II helixtrans-87.9127.7179.9-176.70000109
70P37.3Very low37.2Very low115 Ų115131.9 Ų131.975%0.74781%0.808SS**PPolyproline II helixtrans-79.2132.1174.631.2-32.6000111.2
71L30.1Very low37.3Very low174 Ų174130.6 Ų130.691%0.91180%0.795SS**PPolyproline II helixtrans-70.3137.7174.9178.764.5000111.3
72E37.9Very low37.6Very low190 Ų190132.1 Ų132.189%0.88880%0.795SS**PPolyproline II helixtrans-69.7144.5177.6-62.5-170.3122.300112.8
73G34.5Very low38.5Very low62 Ų62136 Ų13664%0.63981%0.805SS**  trans-17092.3179.900000114.3
74F32.8Very low39Very low215 Ų215135.2 Ų135.294%0.94379%0.794SS**  trans56.692.3161-59.8-81.5000119.1
75S32.3Very low39.8Very low119 Ų119134.2 Ų134.283%0.83278%0.781SS**  trans-155.5113.4142.5-168.70000112
76L38.1Very low40.5Very low166 Ų166129.6 Ų129.687%0.86977%0.774SS**  trans-155.573.6166.2-162.969.4000113.3
77S42.9Very low41.3Very low110 Ų110134.1 Ų134.177%0.76978%0.776SS**SBendtrans-153.632.5167.254.80000115.2
78H36.8Very low42.1Very low156 Ų156134.1 Ų134.172%0.72277%0.765SS**  trans-15066.5161.9-134.5-92.6000114.3A80H78-A80 PolarHBondContact O-N 3.22Å
79A48.3Very low43.2Very low110 Ų110138.9 Ų138.991%0.90977%0.768SS**  trans-75.347.2176.700000113.4
80A47Very low44.2Very low76 Ų76141 Ų14163%0.62877%0.769SS**  trans-155.437.8-170.900000115H78H78-A80 PolarHBondContact O-N 3.22Å
81D43.9Very low45.6Very low99 Ų99139.6 Ų139.653%0.52975%0.752SS.*  trans-152.850.4172.4-143.9-9.3000115.9
82L51Low47.7Very low162 Ų162134.7 Ų134.785%0.84873%0.732SS**SBendtrans-108.69.8175.7-72.7177.5000114.4
83V51.2Low49.3Very low149 Ų149133.3 Ų133.390%0.90373%0.725SS**SBendtrans-103-16.7178.7177.90000112.6
84N51.4Low51.5Low112 Ų112133.7 Ų133.760%0.59972%0.722SS**SBendtrans-121.458.9-178.8-153-19.6000114.5
85R51.8Low53.8Low173 Ų173127.4 Ų127.465%0.65370%0.695SS**SBendtrans-1227170.4-153.2172.1-65.8-120.4-0.8113.9
86G47Very low56.1Low71 Ų71126 Ų12673%0.73268%0.678SS**SBendtrans-91.7-24.3-175.500000116.7
87Q50.1Low58.4Low164 Ų164120 Ų12077%0.76665%0.652SS**SBendtrans-121.164.1-168.4-63.9-174.7-85.100113
88K52.6Low60.4Low134 Ų134120.3 Ų120.358%0.58364%0.641SS**SBendtrans-146.123.5174.358.5-171.2171.7-163.40115.7
89W53.3Low62.9Low228 Ų228116.3 Ų116.386%0.86462%0.623SS**  trans-126.83.6172.6-68.8109.6000113.7K91W89-K91 PolarHBondContact O-N 3.42Å
90E57.4Low64.8Low176 Ų176113.5 Ų113.582%0.82260%0.599SS**  trans-76.551.5168.3-67.4-171.8179.200111.6
91K66.4Low66.8Low86 Ų86117 Ų11737%0.37460%0.6SS.*  trans-68.1133154.2-70.2-169.3163176.80107.2W89 E95 I96W89-K91 PolarHBondContact O-N 3.42Å; K91-E95 VanDerWaalsContact CA-OE2 3.25Å; K91-E95 WeakPolarHBondContact CA-OE2 3.26Å; K91-E95 HydrophobicContact CB-CB 4.5Å; K91-E95 HydrophobicContact CB-CG 4.39Å; K91-E95 WeakPolarHBondContact CE-OE1 3.3Å; K91-E95 WeakPolarHBondContact CG-OE1 3.3Å; K91-I96 HydrophobicContact CB-CD1 4.18Å; K91-I96 HydrophobicContact CB-CG1 3.7Å
92S74.8Confident69Low70 Ų70117 Ų11749%0.4960%0.597SS.*  trans-59.9147.5178177.50000110.1A94 E95 I96S92-A94 PolarHBondContact O-N 3.03Å; S92-A94 PolarHBondContact OG-N 3.3Å; S92-E95 PolarHBondContact N-OE2 3.3Å; S92-E95 VanDerWaalsContact N-OE2 3.16Å; S92-E95 CarbonylContact O-C 3.59Å; S92-E95 WeakPolarHBondContact O-CA 3.38Å; S92-E95 WeakPolarHBondContact O-CB 3.36Å; S92-E95 PolarHBondContact O-N 3.22Å; S92-I96 WeakPolarHBondContact O-CG1 3.42Å; S92-I96 PolarHBondContact O-N 3.43Å
93H71Confident70.8Confident162 Ų162113.9 Ų113.975%0.7558%0.578SS**Hα-helixtrans-57.2-25.6172.6-169.6-50.2000111.6A97H93-A97 VanDerWaalsContact O-CB 3.3Å; H93-A97 WeakPolarHBondContact O-CB 3.38Å; H93-A97 PolarHBondContact O-N 2.76Å; H93-A97 VanDerWaalsContact O-N 3.16Å
94A80.4Confident72.7Confident69 Ų69109 Ų10957%0.5755%0.554SS**Hα-helixtrans-68.7-43170.200000112.7S92 A97 E98S92-A94 PolarHBondContact O-N 3.03Å; S92-A94 PolarHBondContact OG-N 3.3Å; A94-A97 CarbonylContact O-C 3.59Å; A94-A97 PolarHBondContact O-N 3.4Å; A94-E98 WeakPolarHBondContact O-CB 3.3Å; A94-E98 PolarHBondContact O-N 2.6Å
95E81.3Confident74.7Confident83 Ų83109.5 Ų109.539%0.38855%0.552SS.*Hα-helixtrans-69.2-39178.9-175-168.2163.400111.8K91 S92 A97 E98 Q99K91-E95 VanDerWaalsContact CA-OE2 3.25Å; K91-E95 WeakPolarHBondContact CA-OE2 3.26Å; K91-E95 HydrophobicContact CB-CB 4.5Å; K91-E95 HydrophobicContact CB-CG 4.39Å; K91-E95 WeakPolarHBondContact CE-OE1 3.3Å; K91-E95 WeakPolarHBondContact CG-OE1 3.3Å; S92-E95 PolarHBondContact N-OE2 3.3Å; S92-E95 VanDerWaalsContact N-OE2 3.16Å; S92-E95 CarbonylContact O-C 3.59Å; S92-E95 WeakPolarHBondContact O-CA 3.38Å; S92-E95 WeakPolarHBondContact O-CB 3.36Å; S92-E95 PolarHBondContact O-N 3.22Å; E95-A97 VanDerWaalsContact C-N 3.32Å; E95-A97 PolarHBondContact O-N 3.05Å; E95-E98 PolarHBondContact O-N 3.07Å; E95-Q99 WeakPolarHBondContact O-CB 3.34Å; E95-Q99 PolarHBondContact O-N 2.9Å
96I81.6Confident76.6Confident91 Ų91106 Ų10647%0.46755%0.545SS..Hα-helixtrans-62.4-42171.8-62.5170.9000110K91 S92 E98 A100K91-I96 HydrophobicContact CB-CD1 4.18Å; K91-I96 HydrophobicContact CB-CG1 3.7Å; S92-I96 WeakPolarHBondContact O-CG1 3.42Å; S92-I96 PolarHBondContact O-N 3.43Å; I96-E98 VanDerWaalsContact C-N 3.31Å; I96-E98 PolarHBondContact O-N 3.07Å; I96-A100 VanDerWaalsContact O-CB 3.28Å; I96-A100 WeakPolarHBondContact O-CB 3.36Å; I96-A100 PolarHBondContact O-N 3.01Å
97A85.8Confident78.6Confident39 Ų39109.4 Ų109.432%0.32254%0.542SS..Hα-helixtrans-72.5-20.7176.200000113.8H93 A94 E95 K101H93-A97 VanDerWaalsContact O-CB 3.3Å; H93-A97 WeakPolarHBondContact O-CB 3.38Å; H93-A97 PolarHBondContact O-N 2.76Å; H93-A97 VanDerWaalsContact O-N 3.16Å; A94-A97 CarbonylContact O-C 3.59Å; A94-A97 PolarHBondContact O-N 3.4Å; E95-A97 VanDerWaalsContact C-N 3.32Å; E95-A97 PolarHBondContact O-N 3.05Å; A97-K101 WeakPolarHBondContact O-CD 3.35Å; A97-K101 WeakPolarHBondContact O-CG 3.44Å; A97-K101 PolarHBondContact O-N 3.15Å
98E85.9Confident80.6Confident116 Ų116105.4 Ų105.454%0.54253%0.529SS..Hα-helixtrans-81.3-45.4172.8-175166.7-147.900111.1A94 E95 I96 A100 K101 H102A94-E98 WeakPolarHBondContact O-CB 3.3Å; A94-E98 PolarHBondContact O-N 2.6Å; E95-E98 PolarHBondContact O-N 3.07Å; I96-E98 VanDerWaalsContact C-N 3.31Å; I96-E98 PolarHBondContact O-N 3.07Å; E98-A100 VanDerWaalsContact C-N 3.35Å; E98-A100 PolarHBondContact O-N 3.38Å; E98-K101 WeakPolarHBondContact O-CB 3.34Å; E98-K101 PolarHBondContact O-N 3.01Å; E98-K101 VanDerWaalsContact O-N 3.13Å; E98-H102 PolarHBondContact O-N 3.03Å
99Q87.9Confident82.5Confident73 Ų73104 Ų10434%0.34152%0.52SS..Hα-helixtrans-57.2-47.4170.9-179.3177.4-20.900111.1E95 K101 H102 E103E95-Q99 WeakPolarHBondContact O-CB 3.34Å; E95-Q99 PolarHBondContact O-N 2.9Å; Q99-K101 VanDerWaalsContact C-N 3.26Å; Q99-K101 PolarHBondContact O-N 3.16Å; Q99-H102 PolarHBondContact O-N 2.93Å; Q99-H102 VanDerWaalsContact O-N 3.15Å; Q99-E103 HydrophobicContact CG-CG 4.4Å; Q99-E103 WeakPolarHBondContact CG-OE1 3.44Å; Q99-E103 PolarHBondContact NE2-OE1 3.33Å; Q99-E103 WeakPolarHBondContact O-CG 3.31Å; Q99-E103 PolarHBondContact O-N 3.44Å
100A88.1Confident84.2Confident50 Ų5095 Ų9541%0.41349%0.488SS..Hα-helixtrans-62.6-29.4177.400000113.3I96 E98 A104I96-A100 VanDerWaalsContact O-CB 3.28Å; I96-A100 WeakPolarHBondContact O-CB 3.36Å; I96-A100 PolarHBondContact O-N 3.01Å; E98-A100 VanDerWaalsContact C-N 3.35Å; E98-A100 PolarHBondContact O-N 3.38Å; A100-A104 VanDerWaalsContact O-CB 3.28Å; A100-A104 WeakPolarHBondContact O-CB 3.47Å; A100-A104 PolarHBondContact O-N 3.06Å
101K90.1Very high85.6Confident149 Ų14989.1 Ų89.165%0.64847%0.47SS*.Hα-helixtrans-70.7-44.5172.2-77.1165.4-172.5171.60111.7A97 E98 Q99 E103 A104 E105A97-K101 WeakPolarHBondContact O-CD 3.35Å; A97-K101 WeakPolarHBondContact O-CG 3.44Å; A97-K101 PolarHBondContact O-N 3.15Å; E98-K101 WeakPolarHBondContact O-CB 3.34Å; E98-K101 PolarHBondContact O-N 3.01Å; E98-K101 VanDerWaalsContact O-N 3.13Å; Q99-K101 VanDerWaalsContact C-N 3.26Å; Q99-K101 PolarHBondContact O-N 3.16Å; K101-E103 VanDerWaalsContact C-N 3.35Å; K101-A104 PolarHBondContact O-N 3.49Å; K101-E105 VanDerWaalsContact O-CB 3.28Å; K101-E105 WeakPolarHBondContact O-CB 3.2Å; K101-E105 PolarHBondContact O-N 2.86Å
102H90.2Very high86.7Confident100 Ų10089 Ų8946%0.46347%0.471SS..Hα-helixtrans-66-37.4176.2-75.8-48.3000112.2E98 Q99 E105 I106E98-H102 PolarHBondContact O-N 3.03Å; Q99-H102 PolarHBondContact O-N 2.93Å; Q99-H102 VanDerWaalsContact O-N 3.15Å; H102-E105 IonicContact CE1-OE2 2.73Å; H102-E105 IonicContact ND1-OE2 3.66Å; H102-E105 PolarHBondContact ND1-OE2 3.3Å; H102-E105 VanDerWaalsContact ND1-OE2 3.12Å; H102-E105 PolarHBondContact O-N 3.36Å; H102-I106 WeakPolarHBondContact O-CB 3.36Å; H102-I106 WeakPolarHBondContact O-CD1 3.09Å; H102-I106 WeakPolarHBondContact O-CG1 3.49Å; H102-I106 PolarHBondContact O-N 3.32Å
103E88.9Confident87.4Confident97 Ų9787.6 Ų87.645%0.45346%0.458SS..Hα-helixtrans-63.2-45.8172.7-73.2170.9-178.100111Q99 K101 E105 I106 E107Q99-E103 HydrophobicContact CG-CG 4.4Å; Q99-E103 WeakPolarHBondContact CG-OE1 3.44Å; Q99-E103 PolarHBondContact NE2-OE1 3.33Å; Q99-E103 WeakPolarHBondContact O-CG 3.31Å; Q99-E103 PolarHBondContact O-N 3.44Å; K101-E103 VanDerWaalsContact C-N 3.35Å; E103-E105 PolarHBondContact O-N 2.97Å; E103-I106 PolarHBondContact O-N 3.32Å; E103-E107 WeakPolarHBondContact O-CG 3.42Å; E103-E107 PolarHBondContact O-N 3.38Å
104A90.3Very high88.1Confident47 Ų4785 Ų8539%0.38844%0.442SS..Hα-helixtrans-65.7-32.9174.900000113.8A100 K101 T108A100-A104 VanDerWaalsContact O-CB 3.28Å; A100-A104 WeakPolarHBondContact O-CB 3.47Å; A100-A104 PolarHBondContact O-N 3.06Å; K101-A104 PolarHBondContact O-N 3.49Å; A104-T108 VanDerWaalsContact O-CB 3.26Å; A104-T108 WeakPolarHBondContact O-CB 3.35Å; A104-T108 PolarHBondContact O-N 2.83Å; A104-T108 PolarHBondContact O-OG1 3.11Å
105E93.7Very high88.4Confident121 Ų12190.8 Ų90.857%0.56545%0.454SS*.Hα-helixtrans-67.1-43.7173.2-179.1177.1-150.800111K101 H102 E103 T108 R109K101-E105 VanDerWaalsContact O-CB 3.28Å; K101-E105 WeakPolarHBondContact O-CB 3.2Å; K101-E105 PolarHBondContact O-N 2.86Å; H102-E105 IonicContact CE1-OE2 2.73Å; H102-E105 IonicContact ND1-OE2 3.66Å; H102-E105 PolarHBondContact ND1-OE2 3.3Å; H102-E105 VanDerWaalsContact ND1-OE2 3.12Å; H102-E105 PolarHBondContact O-N 3.36Å; E103-E105 PolarHBondContact O-N 2.97Å; E105-T108 PolarHBondContact O-N 3.38Å; E105-R109 PolarHBondContact O-N 2.95Å
106I92.5Very high88.8Confident100 Ų10091.3 Ų91.351%0.51346%0.456SS..Hα-helixtrans-62.5-47.2173.5-71.2163.2000110.5H102 E103 T108 R109 I110H102-I106 WeakPolarHBondContact O-CB 3.36Å; H102-I106 WeakPolarHBondContact O-CD1 3.09Å; H102-I106 WeakPolarHBondContact O-CG1 3.49Å; H102-I106 PolarHBondContact O-N 3.32Å; E103-I106 PolarHBondContact O-N 3.32Å; I106-T108 VanDerWaalsContact C-N 3.33Å; I106-T108 PolarHBondContact O-N 3.04Å; I106-R109 PolarHBondContact O-N 2.79Å; I106-I110 HydrophobicContact CG2-CD1 3.66Å; I106-I110 HydrophobicContact CG2-CG1 4.42Å; I106-I110 WeakPolarHBondContact O-CB 3.37Å; I106-I110 WeakPolarHBondContact O-CG1 3.47Å; I106-I110 PolarHBondContact O-N 3.11Å
107E89.3Confident88.7Confident142 Ų14289.8 Ų89.866%0.66446%0.463SS*.Hα-helixtrans-61-41.9175.8-74.8-169.6159.300112E103 I110 A111E103-E107 WeakPolarHBondContact O-CG 3.42Å; E103-E107 PolarHBondContact O-N 3.38Å; E107-I110 PolarHBondContact O-N 3.34Å; E107-A111 WeakPolarHBondContact O-CB 3.47Å; E107-A111 PolarHBondContact O-N 3.31Å
108T91.9Very high88.3Confident80 Ų8095.9 Ų95.949%0.49148%0.482SS..Hα-helixtrans-62.6-47.6175.8-60.30000110.7A104 E105 I106 I110 A111 E112A104-T108 VanDerWaalsContact O-CB 3.26Å; A104-T108 WeakPolarHBondContact O-CB 3.35Å; A104-T108 PolarHBondContact O-N 2.83Å; A104-T108 PolarHBondContact O-OG1 3.11Å; E105-T108 PolarHBondContact O-N 3.38Å; I106-T108 VanDerWaalsContact C-N 3.33Å; I106-T108 PolarHBondContact O-N 3.04Å; T108-I110 VanDerWaalsContact C-N 3.33Å; T108-I110 PolarHBondContact O-N 3Å; T108-A111 CarbonylContact O-C 3.59Å; T108-A111 WeakPolarHBondContact O-CB 3.43Å; T108-A111 PolarHBondContact O-N 2.78Å; T108-A111 VanDerWaalsContact O-N 3.12Å; T108-E112 WeakPolarHBondContact O-CG 3.32Å; T108-E112 PolarHBondContact O-N 2.84Å
109R92.5Very high88.1Confident104 Ų10496 Ų9639%0.39248%0.478SS..Hα-helixtrans-68-32.3178.8-171.462.9-162.1141.111.1112.4E105 I106 E112 L113 E116E105-R109 PolarHBondContact O-N 2.95Å; I106-R109 PolarHBondContact O-N 2.79Å; R109-E112 WeakPolarHBondContact CD-OE2 3.44Å; R109-E112 IonicContact CZ-OE2 2.95Å; R109-E112 IonicContact NE-OE2 3.7Å; R109-E112 IonicContact NH1-OE2 3.74Å; R109-E112 PolarHBondContact NH1-OE2 3.19Å; R109-E112 PolarHBondContact O-N 2.82Å; R109-L113 HydrophobicContact CG-CD1 4.31Å; R109-L113 VanDerWaalsContact NH2-CD2 3.33Å; R109-L113 WeakPolarHBondContact O-CB 3.27Å; R109-L113 VanDerWaalsContact O-CG 3.25Å; R109-L113 WeakPolarHBondContact O-CG 3.41Å; R109-L113 PolarHBondContact O-N 2.84Å; R109-E116 IonicContact CZ-OE1 3.9Å; R109-E116 IonicContact CZ-OE2 3.54Å; R109-E116 IonicContact NH1-OE1 2.65Å; R109-E116 PolarHBondContact NH1-OE1 2.89Å; R109-E116 IonicContact NH1-OE2 3.28Å; R109-E116 IonicContact NH2-OE1 2.75Å; R109-E116 IonicContact NH2-OE2 2.8Å; R109-E116 PolarHBondContact NH2-OE2 2.88Å
110I88.1Confident87.5Confident39 Ų3995.6 Ų95.620%0.248%0.483CS..Hα-helixtrans-67.2-39.3171-70.2167.7000110.7I106 E107 T108 L113 R114I106-I110 HydrophobicContact CG2-CD1 3.66Å; I106-I110 HydrophobicContact CG2-CG1 4.42Å; I106-I110 WeakPolarHBondContact O-CB 3.37Å; I106-I110 WeakPolarHBondContact O-CG1 3.47Å; I106-I110 PolarHBondContact O-N 3.11Å; E107-I110 PolarHBondContact O-N 3.34Å; T108-I110 VanDerWaalsContact C-N 3.33Å; T108-I110 PolarHBondContact O-N 3Å; I110-L113 PolarHBondContact O-N 2.84Å; I110-R114 HydrophobicContact CG2-CG 4.49Å; I110-R114 WeakPolarHBondContact O-CB 3.28Å; I110-R114 WeakPolarHBondContact O-CD 3.32Å; I110-R114 WeakPolarHBondContact O-CG 3.32Å; I110-R114 PolarHBondContact O-N 2.9Å
111A86.9Confident86.5Confident53 Ų53100 Ų10044%0.43850%0.499SS..Hα-helixtrans-65.8-39.3174.300000112.1E107 T108 R114 K115E107-A111 WeakPolarHBondContact O-CB 3.47Å; E107-A111 PolarHBondContact O-N 3.31Å; T108-A111 CarbonylContact O-C 3.59Å; T108-A111 WeakPolarHBondContact O-CB 3.43Å; T108-A111 PolarHBondContact O-N 2.78Å; T108-A111 VanDerWaalsContact O-N 3.12Å; A111-R114 PolarHBondContact O-N 2.99Å; A111-K115 VanDerWaalsContact O-CB 3.3Å; A111-K115 WeakPolarHBondContact O-CB 3.46Å; A111-K115 PolarHBondContact O-N 3.14Å
112E90.2Very high86Confident84 Ų84101.2 Ų101.239%0.39350%0.504SS..Hα-helixtrans-61.2-51.3170.8-71.4179.616300111.5T108 R109 R114 K115 E116T108-E112 WeakPolarHBondContact O-CG 3.32Å; T108-E112 PolarHBondContact O-N 2.84Å; R109-E112 WeakPolarHBondContact CD-OE2 3.44Å; R109-E112 IonicContact CZ-OE2 2.95Å; R109-E112 IonicContact NE-OE2 3.7Å; R109-E112 IonicContact NH1-OE2 3.74Å; R109-E112 PolarHBondContact NH1-OE2 3.19Å; R109-E112 PolarHBondContact O-N 2.82Å; E112-R114 VanDerWaalsContact C-N 3.26Å; E112-R114 PolarHBondContact O-N 2.84Å; E112-K115 CarbonylContact O-C 3.56Å; E112-K115 WeakPolarHBondContact O-CA 3.47Å; E112-K115 WeakPolarHBondContact O-CB 3.49Å; E112-K115 PolarHBondContact O-N 2.72Å; E112-E116 WeakPolarHBondContact O-CB 3.37Å; E112-E116 VanDerWaalsContact O-CG 3.29Å; E112-E116 WeakPolarHBondContact O-CG 3.48Å; E112-E116 PolarHBondContact O-N 2.78Å
113L88.8Confident85.2Confident40 Ų40107.2 Ų107.221%0.20952%0.523CS..Hα-helixtrans-61.5-33.2178.1-70.1165.7000112.6R109 I110 G117 F118 W119R109-L113 HydrophobicContact CG-CD1 4.31Å; R109-L113 VanDerWaalsContact NH2-CD2 3.33Å; R109-L113 WeakPolarHBondContact O-CB 3.27Å; R109-L113 VanDerWaalsContact O-CG 3.25Å; R109-L113 WeakPolarHBondContact O-CG 3.41Å; R109-L113 PolarHBondContact O-N 2.84Å; I110-L113 PolarHBondContact O-N 2.84Å; L113-G117 CarbonylContact O-C 3.55Å; L113-G117 PolarHBondContact O-N 3.22Å; L113-G117 VanDerWaalsContact O-N 3.1Å; L113-F118 HydrophobicContact CD2-CB 3.94Å; L113-F118 PolarHBondContact O-N 3.28Å; L113-W119 HydrophobicContact CB-CB 3.76Å; L113-W119 HydrophobicContact CD1-CE3 4.24Å; L113-W119 PolarHBondContact O-N 2.96Å
114R86.1Confident84.6Confident109 Ų109108.9 Ų108.941%0.41153%0.534SS..Hα-helixtrans-68.8-33.7172.1-74.8166.4-179.2164.33.2112.6I110 A111 E112 W119 L121I110-R114 HydrophobicContact CG2-CG 4.49Å; I110-R114 WeakPolarHBondContact O-CB 3.28Å; I110-R114 WeakPolarHBondContact O-CD 3.32Å; I110-R114 WeakPolarHBondContact O-CG 3.32Å; I110-R114 PolarHBondContact O-N 2.9Å; A111-R114 PolarHBondContact O-N 2.99Å; E112-R114 VanDerWaalsContact C-N 3.26Å; E112-R114 PolarHBondContact O-N 2.84Å; R114-W119 HydrophobicContact CG-CB 3.94Å; R114-W119 HydrophobicContact CG-CG 4.06Å; R114-L121 HydrophobicContact CB-CD2 3.96Å; R114-L121 HydrophobicContact CB-CG 4.24Å; R114-L121 HydrophobicContact CG-CD2 4.05Å; R114-L121 HydrophobicContact CG-CG 4.36Å
115K86.6Confident83.9Confident190 Ų190112.1 Ų112.183%0.82655%0.551SS**Hα-helixtrans-79.2-36.2177.6179.8-173.6175.2-171.10112.6A111 E112 G117A111-K115 VanDerWaalsContact O-CB 3.3Å; A111-K115 WeakPolarHBondContact O-CB 3.46Å; A111-K115 PolarHBondContact O-N 3.14Å; E112-K115 CarbonylContact O-C 3.56Å; E112-K115 WeakPolarHBondContact O-CA 3.47Å; E112-K115 WeakPolarHBondContact O-CB 3.49Å; E112-K115 PolarHBondContact O-N 2.72Å; K115-G117 PolarHBondContact O-N 2.79Å
116E89.1Confident83.2Confident93 Ų93115.2 Ų115.244%0.43556%0.563SS.*Hα-helixtrans-73.1-15172.6-67.9167.1-168.500112R109 E112 F118R109-E116 IonicContact CZ-OE1 3.9Å; R109-E116 IonicContact CZ-OE2 3.54Å; R109-E116 IonicContact NH1-OE1 2.65Å; R109-E116 PolarHBondContact NH1-OE1 2.89Å; R109-E116 IonicContact NH1-OE2 3.28Å; R109-E116 IonicContact NH2-OE1 2.75Å; R109-E116 IonicContact NH2-OE2 2.8Å; R109-E116 PolarHBondContact NH2-OE2 2.88Å; E112-E116 WeakPolarHBondContact O-CB 3.37Å; E112-E116 VanDerWaalsContact O-CG 3.29Å; E112-E116 WeakPolarHBondContact O-CG 3.48Å; E112-E116 PolarHBondContact O-N 2.78Å; E116-F118 VanDerWaalsContact C-N 3.34Å; E116-F118 HydrophobicContact CB-CD2 3.59Å; E116-F118 HydrophobicContact CB-CE2 4Å
117G79.6Confident82.7Confident59 Ų59116 Ų11661%0.60857%0.572SS**THydrogen-bonded Turntrans86.4-4.8179.700000114.9L113 K115 W119L113-G117 CarbonylContact O-C 3.55Å; L113-G117 PolarHBondContact O-N 3.22Å; L113-G117 VanDerWaalsContact O-N 3.1Å; K115-G117 PolarHBondContact O-N 2.79Å; G117-W119 VanDerWaalsContact C-N 3.27Å; G117-W119 PolarHBondContact O-N 3.42Å
118F77.6Confident82.4Confident167 Ų167114.9 Ų114.973%0.73258%0.577SS**SBendtrans-73.7-11.4178-63.5-61.2000114.4L113 E116L113-F118 HydrophobicContact CD2-CB 3.94Å; L113-F118 PolarHBondContact O-N 3.28Å; E116-F118 VanDerWaalsContact C-N 3.34Å; E116-F118 HydrophobicContact CB-CD2 3.59Å; E116-F118 HydrophobicContact CB-CE2 4Å
119W81Confident81.9Confident120 Ų120119.3 Ų119.346%0.45559%0.592SS.*SBendtrans-124.4123.2173.6-167.3-65.3000111.2L113 R114 G117 L121L113-W119 HydrophobicContact CB-CB 3.76Å; L113-W119 HydrophobicContact CD1-CE3 4.24Å; L113-W119 PolarHBondContact O-N 2.96Å; R114-W119 HydrophobicContact CG-CB 3.94Å; R114-W119 HydrophobicContact CG-CG 4.06Å; G117-W119 VanDerWaalsContact C-N 3.27Å; G117-W119 PolarHBondContact O-N 3.42Å; W119-L121 PolarHBondContact O-N 3.35Å
120S76.2Confident81.6Confident63 Ų63120 Ų12044%0.44161%0.61SS.*  trans-68121.3-178.463.90000111.8K122S120-K122 WeakPolarHBondContact CB-O 3.28Å; S120-K122 PolarHBondContact O-N 2.8Å; S120-K122 VanDerWaalsContact O-N 3.12Å; S120-K122 PolarHBondContact OG-O 2.83Å
121L67.5Low81.4Confident143 Ų143124.2 Ų124.275%0.74964%0.64SS**SBendtrans-60.8-17174.6-79159.4000113.7R114 W119R114-L121 HydrophobicContact CB-CD2 3.96Å; R114-L121 HydrophobicContact CB-CG 4.24Å; R114-L121 HydrophobicContact CG-CD2 4.05Å; R114-L121 HydrophobicContact CG-CG 4.36Å; W119-L121 PolarHBondContact O-N 3.35Å
122K78.3Confident81.5Confident175 Ų175129.4 Ų129.476%0.76165%0.648SS**SBendtrans-111.4146.4175.5-62178.2-179.1178.60109.1S120 L124S120-K122 WeakPolarHBondContact CB-O 3.28Å; S120-K122 PolarHBondContact O-N 2.8Å; S120-K122 VanDerWaalsContact O-N 3.12Å; S120-K122 PolarHBondContact OG-O 2.83Å; K122-L124 PolarHBondContact O-N 3.41Å
123R74.8Confident81.6Confident226 Ų226130.5 Ų130.585%0.85366%0.662SS**PPolyproline II helixtrans-54133.2162.4-175.1178.4-176.1165.43.9107.5
124L75.2Confident81.8Confident132 Ų132133.6 Ų133.669%0.69167%0.674SS**PPolyproline II helixtrans-52.5140.5175.5-66174.8000109.4K122 K126K122-L124 PolarHBondContact O-N 3.41Å; L124-K126 PolarHBondContact O-N 3.42Å
125P75.3Confident82.2Confident114 Ų114129.7 Ų129.774%0.7467%0.668SS**PPolyproline II helixtrans-50.1137.5172.4-25.434.4000109.7V127P125-V127 PolarHBondContact O-N 3.3Å
126K79.4Confident82.6Confident187 Ų187128.2 Ų128.281%0.81366%0.663SS**PPolyproline II helixtrans-56.1120.9169.1-76.3-171.5175.2-172.60106.9L124L124-K126 PolarHBondContact O-N 3.42Å
127V83.4Confident83Confident116 Ų116132.9 Ų132.970%0.70368%0.677SS**PPolyproline II helixtrans-58.3128.5169.6178.70000106.5P125 E129P125-V127 PolarHBondContact O-N 3.3Å; V127-E129 PolarHBondContact O-N 2.82Å
128P81.4Confident83.7Confident119 Ų119132.2 Ų132.277%0.77366%0.66SS**  trans-67.3101.9171.527.6-31.9000107.5
129E82.3Confident84.6Confident173 Ų173129.9 Ų129.981%0.80865%0.647SS**PPolyproline II helixtrans-60.1133.9172.2-71173.3-162.800108.5V127V127-E129 PolarHBondContact O-N 2.82Å
130P85.8Confident85.4Confident118 Ų118127.6 Ų127.677%0.76664%0.643SS**PPolyproline II helixtrans-54.3138.5177.2-26.735.1000110.9R132P130-R132 PolarHBondContact O-N 2.74Å; P130-R132 VanDerWaalsContact O-N 3.16Å
131P84.9Confident86.4Confident128 Ų128128.1 Ų128.183%0.83165%0.646SS**PPolyproline II helixtrans-58.8123.2-17724.1-33.6000110.2
132R89Confident87.7Confident162 Ų162125 Ų12561%0.61163%0.628SS**PPolyproline II helixtrans-62.1133.5179.2-168.6177.970.778.9-19.6109.2P130 D138P130-R132 PolarHBondContact O-N 2.74Å; P130-R132 VanDerWaalsContact O-N 3.16Å; R132-D138 IonicContact CZ-OD1 3.98Å; R132-D138 IonicContact CZ-OD2 3.12Å; R132-D138 IonicContact NH1-OD2 3.15Å; R132-D138 PolarHBondContact NH1-OD2 3.16Å; R132-D138 VanDerWaalsContact NH1-OD2 3.15Å; R132-D138 IonicContact NH2-OD1 2.68Å; R132-D138 PolarHBondContact NH2-OD1 3.49Å; R132-D138 IonicContact NH2-OD2 2.69Å; R132-D138 PolarHBondContact NH2-OD2 2.94Å
133P91.1Very high88.6Confident107 Ų107121.8 Ų121.870%0.69562%0.615SS**PPolyproline II helixtrans-60.6140.6169.726.4-34.6000109.9G135P133-G135 PolarHBondContact O-N 3.21Å
134K92.4Very high89.8Confident105 Ų105116.6 Ų116.646%0.45760%0.602SS.*PPolyproline II helixtrans-60126.2177.6-68.9-172.9179-170.80110D138 Y139 E142K134-D138 WeakPolarHBondContact CA-OD2 3.45Å; K134-D138 HydrophobicContact CB-CB 4.35Å; K134-D138 HydrophobicContact CG-CB 4.46Å; K134-Y139 HydrophobicContact CB-CD2 4.18Å; K134-Y139 HydrophobicContact CB-CE1 4.49Å; K134-Y139 HydrophobicContact CB-CE2 3.47Å; K134-Y139 VanDerWaalsContact CB-CE2 3.47Å; K134-Y139 HydrophobicContact CD-CD1 4.32Å; K134-Y139 HydrophobicContact CD-CE1 3.73Å; K134-Y139 HydrophobicContact CD-CE2 4.23Å; K134-E142 WeakPolarHBondContact CE-OE1 3.37Å; K134-E142 IonicContact NZ-OE1 3.45Å; K134-E142 PolarHBondContact NZ-OE1 3.25Å; K134-E142 IonicContact NZ-OE2 3.22Å; K134-E142 PolarHBondContact NZ-OE2 3.29Å
135G94.8Very high90.8Very high27 Ų27117.1 Ų117.128%0.27860%0.601SS.*PPolyproline II helixtrans-94.4166.7166.800000110.5P133 W137 D138 Y139P133-G135 PolarHBondContact O-N 3.21Å; G135-W137 PolarHBondContact O-N 3.46Å; G135-W137 VanDerWaalsContact O-N 3.1Å; G135-D138 PolarHBondContact N-OD2 3.4Å; G135-D138 WeakPolarHBondContact O-CB 3.36Å; G135-D138 PolarHBondContact O-N 2.91Å; G135-Y139 WeakPolarHBondContact O-CD2 3.38Å; G135-Y139 PolarHBondContact O-N 3.45Å
136H96.1Very high91.9Very high158 Ų158119.5 Ų119.573%0.73160%0.595SS**Hα-helixtrans-53.5-34.5-178.8-174.764.7000113.9D138 Y139 L140H136-D138 VanDerWaalsContact C-N 3.35Å; H136-D138 PolarHBondContact O-N 2.98Å; H136-Y139 PolarHBondContact O-N 3.46Å; H136-L140 PolarHBondContact O-N 2.79Å
137W96.4Very high92.8Very high191 Ų191114 Ų11472%0.72358%0.575SS**Hα-helixtrans-65.7-29.8174-85.698.5000114.6G135 L140 C141G135-W137 PolarHBondContact O-N 3.46Å; G135-W137 VanDerWaalsContact O-N 3.1Å; W137-L140 HydrophobicContact CE3-CD2 3.98Å; W137-L140 HydrophobicContact CZ3-CD2 3.92Å; W137-C141 WeakPolarHBondContact O-CB 3.46Å; W137-C141 PolarHBondContact O-N 2.81Å; W137-C141 PolarHBondContact O-SG 3.35Å
138D95.9Very high93.5Very high46 Ų46112 Ų11225%0.24657%0.565CS.*Hα-helixtrans-71.4-44177.5-52.7-51.2000109.7R132 K134 G135 H136 L140 C141 E142R132-D138 IonicContact CZ-OD1 3.98Å; R132-D138 IonicContact CZ-OD2 3.12Å; R132-D138 IonicContact NH1-OD2 3.15Å; R132-D138 PolarHBondContact NH1-OD2 3.16Å; R132-D138 VanDerWaalsContact NH1-OD2 3.15Å; R132-D138 IonicContact NH2-OD1 2.68Å; R132-D138 PolarHBondContact NH2-OD1 3.49Å; R132-D138 IonicContact NH2-OD2 2.69Å; R132-D138 PolarHBondContact NH2-OD2 2.94Å; K134-D138 WeakPolarHBondContact CA-OD2 3.45Å; K134-D138 HydrophobicContact CB-CB 4.35Å; K134-D138 HydrophobicContact CG-CB 4.46Å; G135-D138 PolarHBondContact N-OD2 3.4Å; G135-D138 WeakPolarHBondContact O-CB 3.36Å; G135-D138 PolarHBondContact O-N 2.91Å; H136-D138 VanDerWaalsContact C-N 3.35Å; H136-D138 PolarHBondContact O-N 2.98Å; D138-L140 PolarHBondContact O-N 3.29Å; D138-C141 PolarHBondContact O-N 2.75Å; D138-E142 WeakPolarHBondContact O-CG 3.4Å; D138-E142 PolarHBondContact O-N 3.47Å
139Y95.8Very high94.3Very high118 Ų118109.1 Ų109.146%0.46355%0.552SS.*Hα-helixtrans-59.6-44.1172.9-65.9-76.3000112K134 G135 H136 C141 E142 E143K134-Y139 HydrophobicContact CB-CD2 4.18Å; K134-Y139 HydrophobicContact CB-CE1 4.49Å; K134-Y139 HydrophobicContact CB-CE2 3.47Å; K134-Y139 VanDerWaalsContact CB-CE2 3.47Å; K134-Y139 HydrophobicContact CD-CD1 4.32Å; K134-Y139 HydrophobicContact CD-CE1 3.73Å; K134-Y139 HydrophobicContact CD-CE2 4.23Å; G135-Y139 WeakPolarHBondContact O-CD2 3.38Å; G135-Y139 PolarHBondContact O-N 3.45Å; H136-Y139 PolarHBondContact O-N 3.46Å; Y139-C141 VanDerWaalsContact C-N 3.3Å; Y139-C141 PolarHBondContact O-N 2.88Å; Y139-E142 PolarHBondContact O-N 2.91Å; Y139-E142 VanDerWaalsContact O-N 3.16Å; Y139-E143 WeakPolarHBondContact O-CG 3.48Å; Y139-E143 PolarHBondContact O-N 3.05Å
140L97.4Very high95.1Very high72 Ų72104.1 Ų104.138%0.37753%0.531SS..Hα-helixtrans-58.4-42.3174.6178.761.1000112H136 W137 D138 M144H136-L140 PolarHBondContact O-N 2.79Å; W137-L140 HydrophobicContact CE3-CD2 3.98Å; W137-L140 HydrophobicContact CZ3-CD2 3.92Å; D138-L140 PolarHBondContact O-N 3.29Å; L140-M144 HydrophobicContact CD1-CG 4.22Å; L140-M144 HydrophobicContact CD1-SD 4.09Å; L140-M144 HydrophobicContact CG-SD 4.02Å; L140-M144 VanDerWaalsContact O-CB 3.3Å; L140-M144 WeakPolarHBondContact O-CB 3.32Å; L140-M144 WeakPolarHBondContact O-CG 3.42Å; L140-M144 PolarHBondContact O-N 3.36Å
141C96.7Very high95.7Very high74 Ų74103.9 Ų103.950%0.552%0.518SS..Hα-helixtrans-68.4-34.4176.1-73.70000113.2W137 D138 Y139 Q145W137-C141 WeakPolarHBondContact O-CB 3.46Å; W137-C141 PolarHBondContact O-N 2.81Å; W137-C141 PolarHBondContact O-SG 3.35Å; D138-C141 PolarHBondContact O-N 2.75Å; Y139-C141 VanDerWaalsContact C-N 3.3Å; Y139-C141 PolarHBondContact O-N 2.88Å; C141-Q145 VanDerWaalsContact O-CB 3.26Å; C141-Q145 WeakPolarHBondContact O-CB 3.33Å; C141-Q145 PolarHBondContact O-N 3.2Å
142E96Very high96.3Very high78 Ų7899.9 Ų99.936%0.36450%0.495SS..Hα-helixtrans-66.9-47.2174.9-74.1171.1-174.100111.3K134 D138 Y139 Q145 W146K134-E142 WeakPolarHBondContact CE-OE1 3.37Å; K134-E142 IonicContact NZ-OE1 3.45Å; K134-E142 PolarHBondContact NZ-OE1 3.25Å; K134-E142 IonicContact NZ-OE2 3.22Å; K134-E142 PolarHBondContact NZ-OE2 3.29Å; D138-E142 WeakPolarHBondContact O-CG 3.4Å; D138-E142 PolarHBondContact O-N 3.47Å; Y139-E142 PolarHBondContact O-N 2.91Å; Y139-E142 VanDerWaalsContact O-N 3.16Å; E142-Q145 PolarHBondContact O-N 3.42Å; E142-W146 PolarHBondContact O-N 2.88Å
143E97.3Very high96.8Very high107 Ų10797.9 Ų97.950%0.549%0.493SS..Hα-helixtrans-62.6-45.8174.5-66.5-55.7147.400111.6Y139 Q145 W146 L147Y139-E143 WeakPolarHBondContact O-CG 3.48Å; Y139-E143 PolarHBondContact O-N 3.05Å; E143-Q145 VanDerWaalsContact C-N 3.29Å; E143-Q145 PolarHBondContact O-N 2.99Å; E143-W146 PolarHBondContact O-N 3.03Å; E143-L147 WeakPolarHBondContact O-CB 3.41Å; E143-L147 PolarHBondContact O-N 2.85Å
144M98.2Very high97.1Very high117 Ų11795.6 Ų95.658%0.57647%0.473SS*.Hα-helixtrans-61.7-36.3175.4-74.9178.768.600112.3L140 S148L140-M144 HydrophobicContact CD1-CG 4.22Å; L140-M144 HydrophobicContact CD1-SD 4.09Å; L140-M144 HydrophobicContact CG-SD 4.02Å; L140-M144 VanDerWaalsContact O-CB 3.3Å; L140-M144 WeakPolarHBondContact O-CB 3.32Å; L140-M144 WeakPolarHBondContact O-CG 3.42Å; L140-M144 PolarHBondContact O-N 3.36Å; M144-S148 VanDerWaalsContact O-CB 3.25Å; M144-S148 WeakPolarHBondContact O-CB 3.42Å; M144-S148 PolarHBondContact O-N 3Å; M144-S148 PolarHBondContact O-OG 3.27Å
145Q98.1Very high97.4Very high142 Ų14297.3 Ų97.366%0.66448%0.477SS*.Hα-helixtrans-65.8-46.7173.7178.8168.671.400111C141 E142 E143 S148 A149C141-Q145 VanDerWaalsContact O-CB 3.26Å; C141-Q145 WeakPolarHBondContact O-CB 3.33Å; C141-Q145 PolarHBondContact O-N 3.2Å; E142-Q145 PolarHBondContact O-N 3.42Å; E143-Q145 VanDerWaalsContact C-N 3.29Å; E143-Q145 PolarHBondContact O-N 2.99Å; Q145-S148 PolarHBondContact O-N 3.12Å; Q145-S148 PolarHBondContact O-OG 3.13Å; Q145-A149 PolarHBondContact O-N 3.36Å
146W97.9Very high97.6Very high164 Ų164104.3 Ų104.362%0.62150%0.495SS*.Hα-helixtrans-59.9-52.1177.9-179.383000111.9E142 E143 S148 A149 D150E142-W146 PolarHBondContact O-N 2.88Å; E143-W146 PolarHBondContact O-N 3.03Å; W146-S148 VanDerWaalsContact C-N 3.3Å; W146-S148 PolarHBondContact O-N 3.37Å; W146-A149 WeakPolarHBondContact O-CB 3.34Å; W146-A149 PolarHBondContact O-N 2.94Å; W146-A149 VanDerWaalsContact O-N 3.1Å; W146-D150 PolarHBondContact O-N 3.21Å
147L98.3Very high97.7Very high73 Ų73103.4 Ų103.438%0.38249%0.485SS..Hα-helixtrans-56.1-41.1173.8-86147.7000112.3E143 A149 D150 F151E143-L147 WeakPolarHBondContact O-CB 3.41Å; E143-L147 PolarHBondContact O-N 2.85Å; L147-A149 VanDerWaalsContact C-N 3.32Å; L147-A149 PolarHBondContact O-N 2.85Å; L147-D150 PolarHBondContact O-N 3.03Å; L147-F151 HydrophobicContact CB-CE2 4.47Å; L147-F151 HydrophobicContact CD2-CE2 3.85Å; L147-F151 HydrophobicContact CD2-CZ 4.35Å; L147-F151 WeakPolarHBondContact O-CD2 3.35Å; L147-F151 PolarHBondContact O-N 3.02Å
148S98.4Very high97.8Very high72 Ų7298.9 Ų98.950%0.50347%0.47SS..Hα-helixtrans-65.2-35.7178.379.30000112.7M144 Q145 W146 A152M144-S148 VanDerWaalsContact O-CB 3.25Å; M144-S148 WeakPolarHBondContact O-CB 3.42Å; M144-S148 PolarHBondContact O-N 3Å; M144-S148 PolarHBondContact O-OG 3.27Å; Q145-S148 PolarHBondContact O-N 3.12Å; Q145-S148 PolarHBondContact O-OG 3.13Å; W146-S148 VanDerWaalsContact C-N 3.3Å; W146-S148 PolarHBondContact O-N 3.37Å; S148-A152 VanDerWaalsContact O-CB 3.29Å; S148-A152 WeakPolarHBondContact O-CB 3.37Å; S148-A152 PolarHBondContact O-N 2.87Å; S148-A152 VanDerWaalsContact O-N 3.16Å
149A97.9Very high97.9Very high59 Ų59103.5 Ų103.549%0.48848%0.484SS..Hα-helixtrans-71.7-42.3175.900000111.2Q145 W146 L147 A152 Q153Q145-A149 PolarHBondContact O-N 3.36Å; W146-A149 WeakPolarHBondContact O-CB 3.34Å; W146-A149 PolarHBondContact O-N 2.94Å; W146-A149 VanDerWaalsContact O-N 3.1Å; L147-A149 VanDerWaalsContact C-N 3.32Å; L147-A149 PolarHBondContact O-N 2.85Å; A149-A152 PolarHBondContact O-N 3.09Å; A149-Q153 WeakPolarHBondContact O-CB 3.19Å; A149-Q153 PolarHBondContact O-N 2.81Å
150D98.3Very high98Very high68 Ų6899.2 Ų99.236%0.36448%0.476SS..Hα-helixtrans-63.1-52.2176.9-171.967.6000111.5W146 L147 A152 Q153 E154W146-D150 PolarHBondContact O-N 3.21Å; L147-D150 PolarHBondContact O-N 3.03Å; D150-A152 PolarHBondContact O-N 3.37Å; D150-A152 VanDerWaalsContact O-N 3.12Å; D150-Q153 CarbonylContact O-C 3.55Å; D150-Q153 WeakPolarHBondContact O-CA 3.39Å; D150-Q153 WeakPolarHBondContact O-CB 3.38Å; D150-Q153 PolarHBondContact O-N 3.5Å; D150-E154 WeakPolarHBondContact O-CB 3.49Å; D150-E154 PolarHBondContact O-N 2.79Å
151F98.5Very high98.1Very high113 Ų11399.6 Ų99.650%0.49648%0.481SS..Hα-helixtrans-58.5-30.1174.8-73.7-55.6000113.4L147 R155L147-F151 HydrophobicContact CB-CE2 4.47Å; L147-F151 HydrophobicContact CD2-CE2 3.85Å; L147-F151 HydrophobicContact CD2-CZ 4.35Å; L147-F151 WeakPolarHBondContact O-CD2 3.35Å; L147-F151 PolarHBondContact O-N 3.02Å; F151-R155 VanDerWaalsContact O-CB 3.27Å; F151-R155 WeakPolarHBondContact O-CB 3.43Å; F151-R155 PolarHBondContact O-N 3.37Å; F151-R155 VanDerWaalsContact O-N 3.1Å; F151-R155 PolarHBondContact O-NH1 3.34Å
152A98.4Very high98.2Very high44 Ų4498.5 Ų98.536%0.36448%0.478SS..Hα-helixtrans-72.3-40174.300000112.2S148 A149 D150 R156S148-A152 VanDerWaalsContact O-CB 3.29Å; S148-A152 WeakPolarHBondContact O-CB 3.37Å; S148-A152 PolarHBondContact O-N 2.87Å; S148-A152 VanDerWaalsContact O-N 3.16Å; A149-A152 PolarHBondContact O-N 3.09Å; D150-A152 PolarHBondContact O-N 3.37Å; D150-A152 VanDerWaalsContact O-N 3.12Å; A152-R156 WeakPolarHBondContact O-CB 3.49Å; A152-R156 PolarHBondContact O-N 3.24Å; A152-R156 VanDerWaalsContact O-N 3.14Å
153Q98.1Very high98.3Very high121 Ų121101.7 Ų101.757%0.56549%0.486SS*.Hα-helixtrans-68-40.5173.1178.1157.8-49.300111.6A149 D150 R156 W157A149-Q153 WeakPolarHBondContact O-CB 3.19Å; A149-Q153 PolarHBondContact O-N 2.81Å; D150-Q153 CarbonylContact O-C 3.55Å; D150-Q153 WeakPolarHBondContact O-CA 3.39Å; D150-Q153 WeakPolarHBondContact O-CB 3.38Å; D150-Q153 PolarHBondContact O-N 3.5Å; Q153-R156 CarbonylContact O-C 3.57Å; Q153-R156 WeakPolarHBondContact O-CA 3.37Å; Q153-R156 WeakPolarHBondContact O-CB 3.33Å; Q153-R156 PolarHBondContact O-N 2.99Å; Q153-W157 VanDerWaalsContact O-CD1 3.3Å; Q153-W157 PolarHBondContact O-N 2.92Å
154E98.4Very high98.4Very high59 Ų59103.9 Ų103.928%0.27649%0.494SS..Hα-helixtrans-63-50.3178.8-152-148.3-147.600111.4D150 R156 W157 K158D150-E154 WeakPolarHBondContact O-CB 3.49Å; D150-E154 PolarHBondContact O-N 2.79Å; E154-R156 PolarHBondContact O-N 2.82Å; E154-R156 VanDerWaalsContact O-N 3.17Å; E154-W157 HydrophobicContact CG-CZ2 3.98Å; E154-W157 PolarHBondContact O-N 3.37Å; E154-K158 HydrophobicContact CG-CD 4.11Å; E154-K158 HydrophobicContact CG-CG 4.5Å; E154-K158 WeakPolarHBondContact O-CB 3.32Å; E154-K158 WeakPolarHBondContact O-CG 3.33Å; E154-K158 PolarHBondContact O-N 3.04Å; E154-K158 VanDerWaalsContact OE1-CE 3.23Å; E154-K158 WeakPolarHBondContact OE1-CE 3.47Å; E154-K158 IonicContact OE1-NZ 2.66Å; E154-K158 PolarHBondContact OE1-NZ 2.97Å; E154-K158 WeakPolarHBondContact OE2-CE 3.44Å; E154-K158 IonicContact OE2-NZ 3.29Å; E154-K158 PolarHBondContact OE2-NZ 3.38Å
155R98.6Very high98.4Very high140 Ų140102.4 Ų102.453%0.52849%0.492SS..Hα-helixtrans-62.6-20.9172.6-164.2-173.1-61.797.4-0.1112.7F151 R159F151-R155 VanDerWaalsContact O-CB 3.27Å; F151-R155 WeakPolarHBondContact O-CB 3.43Å; F151-R155 PolarHBondContact O-N 3.37Å; F151-R155 VanDerWaalsContact O-N 3.1Å; F151-R155 PolarHBondContact O-NH1 3.34Å; R155-R159 WeakPolarHBondContact O-CB 3.43Å; R155-R159 WeakPolarHBondContact O-CG 3.47Å; R155-R159 PolarHBondContact O-NE 2.91Å
156R98.5Very high98.4Very high175 Ų17599.7 Ų99.766%0.6649%0.485SS*.Hα-helixtrans-80.8-50.1173.5-174.4-176.9-71.6153.4-2111.1A152 Q153 E154 G160A152-R156 WeakPolarHBondContact O-CB 3.49Å; A152-R156 PolarHBondContact O-N 3.24Å; A152-R156 VanDerWaalsContact O-N 3.14Å; Q153-R156 CarbonylContact O-C 3.57Å; Q153-R156 WeakPolarHBondContact O-CA 3.37Å; Q153-R156 WeakPolarHBondContact O-CB 3.33Å; Q153-R156 PolarHBondContact O-N 2.99Å; E154-R156 PolarHBondContact O-N 2.82Å; E154-R156 VanDerWaalsContact O-N 3.17Å; R156-G160 PolarHBondContact O-N 3.19Å
157W98.3Very high98.5Very high139 Ų139100 Ų10053%0.52749%0.486SS..Hα-helixtrans-71.7-40.8-177.176.4-113.3000112.2Q153 E154 R159 G160 V161Q153-W157 VanDerWaalsContact O-CD1 3.3Å; Q153-W157 PolarHBondContact O-N 2.92Å; E154-W157 HydrophobicContact CG-CZ2 3.98Å; E154-W157 PolarHBondContact O-N 3.37Å; W157-R159 PolarHBondContact O-N 3.45Å; W157-G160 CarbonylContact O-C 3.57Å; W157-G160 WeakPolarHBondContact O-CA 3.33Å; W157-G160 PolarHBondContact O-N 3.44Å; W157-V161 HydrophobicContact CE3-CG2 4.02Å; W157-V161 HydrophobicContact CZ3-CG2 4.38Å; W157-V161 PolarHBondContact O-N 3.2Å
158K98.7Very high98.5Very high95 Ų95101.7 Ų101.741%0.41349%0.493SS..Hα-helixtrans-58.8-44.5175.6-72.5-180176.61710112.1E154 G160 V161 A162E154-K158 HydrophobicContact CG-CD 4.11Å; E154-K158 HydrophobicContact CG-CG 4.5Å; E154-K158 WeakPolarHBondContact O-CB 3.32Å; E154-K158 WeakPolarHBondContact O-CG 3.33Å; E154-K158 PolarHBondContact O-N 3.04Å; E154-K158 VanDerWaalsContact OE1-CE 3.23Å; E154-K158 WeakPolarHBondContact OE1-CE 3.47Å; E154-K158 IonicContact OE1-NZ 2.66Å; E154-K158 PolarHBondContact OE1-NZ 2.97Å; E154-K158 WeakPolarHBondContact OE2-CE 3.44Å; E154-K158 IonicContact OE2-NZ 3.29Å; E154-K158 PolarHBondContact OE2-NZ 3.38Å; K158-G160 VanDerWaalsContact C-N 3.31Å; K158-G160 PolarHBondContact O-N 3.07Å; K158-V161 PolarHBondContact O-N 3.09Å; K158-A162 PolarHBondContact O-N 3.34Å
159R98.6Very high98.5Very high143 Ų143101.7 Ų101.754%0.5449%0.49SS..Hα-helixtrans-66.1-30.4172.8-72.9-172.2-65168-1.4113.1R155 W157 R163R155-R159 WeakPolarHBondContact O-CB 3.43Å; R155-R159 WeakPolarHBondContact O-CG 3.47Å; R155-R159 PolarHBondContact O-NE 2.91Å; W157-R159 PolarHBondContact O-N 3.45Å; R159-R163 PolarHBondContact O-N 3.27Å; R159-R163 VanDerWaalsContact O-N 3.16Å
160G98.5Very high98.5Very high28 Ų28104.1 Ų104.129%0.28949%0.493SS..Hα-helixtrans-65.7-44.7172.100000112.7R156 W157 K158 R163 K164R156-G160 PolarHBondContact O-N 3.19Å; W157-G160 CarbonylContact O-C 3.57Å; W157-G160 WeakPolarHBondContact O-CA 3.33Å; W157-G160 PolarHBondContact O-N 3.44Å; K158-G160 VanDerWaalsContact C-N 3.31Å; K158-G160 PolarHBondContact O-N 3.07Å; G160-R163 PolarHBondContact O-N 3.35Å; G160-K164 PolarHBondContact O-N 2.93Å; G160-K164 VanDerWaalsContact O-N 3.13Å
161V98.7Very high98.5Very high80 Ų80105.7 Ų105.749%0.48549%0.494SS..Hα-helixtrans-63.1-47.2175173.90000110.8W157 K158 R163 K164 V165W157-V161 HydrophobicContact CE3-CG2 4.02Å; W157-V161 HydrophobicContact CZ3-CG2 4.38Å; W157-V161 PolarHBondContact O-N 3.2Å; K158-V161 PolarHBondContact O-N 3.09Å; V161-R163 VanDerWaalsContact C-N 3.35Å; V161-R163 PolarHBondContact O-N 2.8Å; V161-K164 WeakPolarHBondContact O-CA 3.34Å; V161-K164 WeakPolarHBondContact O-CB 3.38Å; V161-K164 PolarHBondContact O-N 3.22Å; V161-V165 HydrophobicContact CG1-CG2 4.47Å; V161-V165 PolarHBondContact O-N 3.33Å
162A98.8Very high98.5Very high52 Ų52104.6 Ų104.643%0.4349%0.491SS..Hα-helixtrans-55.2-46.6176.400000112.4K158 K164 V165 V166K158-A162 PolarHBondContact O-N 3.34Å; A162-K164 PolarHBondContact O-N 2.93Å; A162-V165 PolarHBondContact O-N 2.94Å; A162-V165 VanDerWaalsContact O-N 3.16Å; A162-V166 WeakPolarHBondContact O-CG2 3.4Å; A162-V166 PolarHBondContact O-N 3.43Å
163R98.5Very high98.5Very high144 Ų144107.8 Ų107.854%0.54350%0.498SS..Hα-helixtrans-67.5-15.7173.9-72.4-169.6-59.7-91.6-2.2114.7R159 G160 V161 R167R159-R163 PolarHBondContact O-N 3.27Å; R159-R163 VanDerWaalsContact O-N 3.16Å; G160-R163 PolarHBondContact O-N 3.35Å; V161-R163 VanDerWaalsContact C-N 3.35Å; V161-R163 PolarHBondContact O-N 2.8Å; R163-R167 WeakPolarHBondContact O-CG 3.42Å; R163-R167 PolarHBondContact O-NE 3.02Å
164K98.6Very high98.5Very high153 Ų153105.4 Ų105.467%0.66549%0.486SS*.Hα-helixtrans-81.4-41.9169.4-166.5-179.2179.2-174.10110.6G160 V161 A162 R167 M168G160-K164 PolarHBondContact O-N 2.93Å; G160-K164 VanDerWaalsContact O-N 3.13Å; V161-K164 WeakPolarHBondContact O-CA 3.34Å; V161-K164 WeakPolarHBondContact O-CB 3.38Å; V161-K164 PolarHBondContact O-N 3.22Å; A162-K164 PolarHBondContact O-N 2.93Å; K164-R167 PolarHBondContact O-N 2.99Å; K164-M168 WeakPolarHBondContact O-CB 3.4Å; K164-M168 PolarHBondContact O-N 2.99Å
165V98.7Very high98.4Very high86 Ų86106.7 Ų106.752%0.52149%0.492SS..Hα-helixtrans-62.8-48.3175.5178.10000111.2V161 A162 R167 M168 V169V161-V165 HydrophobicContact CG1-CG2 4.47Å; V161-V165 PolarHBondContact O-N 3.33Å; A162-V165 PolarHBondContact O-N 2.94Å; A162-V165 VanDerWaalsContact O-N 3.16Å; V165-R167 VanDerWaalsContact C-N 3.34Å; V165-R167 PolarHBondContact O-N 3.3Å; V165-M168 WeakPolarHBondContact O-CA 3.35Å; V165-M168 WeakPolarHBondContact O-CB 3.43Å; V165-M168 PolarHBondContact O-N 3.36Å; V165-V169 WeakPolarHBondContact O-CG2 3.27Å; V165-V169 PolarHBondContact O-N 2.92Å
166V98.8Very high98.4Very high85 Ų85103 Ų10352%0.51548%0.481SS..Hα-helixtrans-55.6-47.3177.3170.80000111.6A162 M168 V169 I170A162-V166 WeakPolarHBondContact O-CG2 3.4Å; A162-V166 PolarHBondContact O-N 3.43Å; V166-M168 VanDerWaalsContact C-N 3.32Å; V166-M168 PolarHBondContact O-N 3.43Å; V166-V169 PolarHBondContact O-N 3.05Å; V166-I170 HydrophobicContact CG1-CD1 3.82Å; V166-I170 WeakPolarHBondContact O-CG1 3.42Å; V166-I170 PolarHBondContact O-N 3.05Å
167R98.5Very high98.3Very high171 Ų171102.6 Ų102.665%0.64548%0.48SS*.Hα-helixtrans-67.7-29.4176.7-72.2-176.1-66.7168.12.7113.4R163 K164 V165 R171R163-R167 WeakPolarHBondContact O-CG 3.42Å; R163-R167 PolarHBondContact O-NE 3.02Å; K164-R167 PolarHBondContact O-N 2.99Å; V165-R167 VanDerWaalsContact C-N 3.34Å; V165-R167 PolarHBondContact O-N 3.3Å; R167-R171 WeakPolarHBondContact O-CB 3.4Å; R167-R171 PolarHBondContact O-N 3Å
168M98.5Very high98.2Very high108 Ų10899.9 Ų99.953%0.53247%0.473SS..Hα-helixtrans-67-40.4173.4-173.665.317700111.6K164 V165 V166 R171 H172K164-M168 WeakPolarHBondContact O-CB 3.4Å; K164-M168 PolarHBondContact O-N 2.99Å; V165-M168 WeakPolarHBondContact O-CA 3.35Å; V165-M168 WeakPolarHBondContact O-CB 3.43Å; V165-M168 PolarHBondContact O-N 3.36Å; V166-M168 VanDerWaalsContact C-N 3.32Å; V166-M168 PolarHBondContact O-N 3.43Å; M168-R171 VanDerWaalsContact CE-NH2 3.32Å; M168-H172 WeakPolarHBondContact O-CB 3.49Å; M168-H172 PolarHBondContact O-N 3.31Å
169V98.6Very high98.1Very high72 Ų72101.2 Ų101.244%0.43648%0.479SS..Hα-helixtrans-67.3-49.3175.8173.40000110.9V165 V166 R171 H172 H173V165-V169 WeakPolarHBondContact O-CG2 3.27Å; V165-V169 PolarHBondContact O-N 2.92Å; V166-V169 PolarHBondContact O-N 3.05Å; V169-R171 VanDerWaalsContact C-N 3.33Å; V169-R171 PolarHBondContact O-N 3.32Å; V169-H172 WeakPolarHBondContact O-CB 3.44Å; V169-H172 PolarHBondContact O-N 2.66Å; V169-H173 PolarHBondContact O-CD2 3.19Å; V169-H173 PolarHBondContact O-N 2.69Å
170I98.3Very high98Very high110 Ų11099.5 Ų99.556%0.56448%0.477SS*.Hα-helixtrans-55.3-49.1176.2-66.8165.3000110.6V166 H172 H173 E174V166-I170 HydrophobicContact CG1-CD1 3.82Å; V166-I170 WeakPolarHBondContact O-CG1 3.42Å; V166-I170 PolarHBondContact O-N 3.05Å; I170-H172 VanDerWaalsContact C-N 3.31Å; I170-H172 PolarHBondContact O-N 3.17Å; I170-H173 PolarHBondContact O-N 2.8Å; I170-E174 WeakPolarHBondContact O-CB 3.35Å; I170-E174 PolarHBondContact O-N 3.25Å
171R98.3Very high97.9Very high101 Ų101102.7 Ų102.738%0.38148%0.484SS..Hα-helixtrans-60.1-37.8176.1-175.3-157.964.989.926.2112.4R167 M168 V169 E174 E175R167-R171 WeakPolarHBondContact O-CB 3.4Å; R167-R171 PolarHBondContact O-N 3Å; M168-R171 VanDerWaalsContact CE-NH2 3.32Å; V169-R171 VanDerWaalsContact C-N 3.33Å; V169-R171 PolarHBondContact O-N 3.32Å; R171-E174 PolarHBondContact O-N 3.1Å; R171-E175 WeakPolarHBondContact CD-OE1 3.44Å; R171-E175 HydrophobicContact CG-CG 4.41Å; R171-E175 VanDerWaalsContact CG-OE1 3.3Å; R171-E175 WeakPolarHBondContact CG-OE1 3.42Å; R171-E175 IonicContact CZ-OE1 2.71Å; R171-E175 IonicContact CZ-OE2 2.95Å; R171-E175 IonicContact NE-OE1 3.73Å; R171-E175 IonicContact NH1-OE1 3.68Å; R171-E175 PolarHBondContact NH1-OE1 2.91Å; R171-E175 IonicContact NH1-OE2 2.75Å; R171-E175 PolarHBondContact NH1-OE2 3.24Å; R171-E175 IonicContact NH2-OE2 3.61Å; R171-E175 PolarHBondContact NH2-OE2 3.2Å; R171-E175 WeakPolarHBondContact O-CB 3.46Å; R171-E175 VanDerWaalsContact O-CG 3.31Å; R171-E175 WeakPolarHBondContact O-CG 3.36Å; R171-E175 PolarHBondContact O-N 3.24Å
172H98.1Very high97.8Very high91 Ų91104.5 Ų104.542%0.42148%0.482SS..Hα-helixtrans-64.2-46.8177.9172.8-95.4000112.4M168 V169 I170 E174 E175 Q176M168-H172 WeakPolarHBondContact O-CB 3.49Å; M168-H172 PolarHBondContact O-N 3.31Å; V169-H172 WeakPolarHBondContact O-CB 3.44Å; V169-H172 PolarHBondContact O-N 2.66Å; I170-H172 VanDerWaalsContact C-N 3.31Å; I170-H172 PolarHBondContact O-N 3.17Å; H172-E174 VanDerWaalsContact C-N 3.33Å; H172-E174 PolarHBondContact O-N 3.21Å; H172-E175 PolarHBondContact O-N 3.42Å; H172-Q176 WeakPolarHBondContact O-CB 3.46Å; H172-Q176 WeakPolarHBondContact O-CG 3.49Å; H172-Q176 PolarHBondContact O-N 2.99Å
173H98.4Very high97.7Very high111 Ų111104.5 Ų104.551%0.51448%0.483SS..Hα-helixtrans-66.7-36176.7-69.4-75.3000112V169 I170 Q176 R177V169-H173 PolarHBondContact O-CD2 3.19Å; V169-H173 PolarHBondContact O-N 2.69Å; I170-H173 PolarHBondContact O-N 2.8Å; H173-Q176 PolarHBondContact O-N 2.89Å; H173-R177 WeakPolarHBondContact O-CG 3.37Å; H173-R177 PolarHBondContact O-N 2.86Å
174E97.7Very high97.6Very high70 Ų70105.7 Ų105.733%0.32749%0.487SS..Hα-helixtrans-63.1-47.2173.2-176.954.3-152.500112.4I170 R171 H172 Q176 R177 Q178I170-E174 WeakPolarHBondContact O-CB 3.35Å; I170-E174 PolarHBondContact O-N 3.25Å; R171-E174 PolarHBondContact O-N 3.1Å; H172-E174 VanDerWaalsContact C-N 3.33Å; H172-E174 PolarHBondContact O-N 3.21Å; E174-Q176 VanDerWaalsContact C-N 3.3Å; E174-Q176 PolarHBondContact O-N 3.01Å; E174-R177 PolarHBondContact O-N 3.34Å; E174-R177 IonicContact OE2-CZ 3.55Å; E174-R177 IonicContact OE2-NE 3.57Å; E174-R177 IonicContact OE2-NH2 2.7Å; E174-R177 PolarHBondContact OE2-NH2 3.16Å; E174-Q178 WeakPolarHBondContact O-CG 3.48Å; E174-Q178 PolarHBondContact O-N 2.87Å; E174-Q178 PolarHBondContact OE1-NE2 3.12Å
175E97.5Very high97.5Very high86 Ų86104.9 Ų104.940%0.40248%0.48SS..Hα-helixtrans-63.8-34.1176.6-76.8170.8-173.300112.6R171 H172 K179R171-E175 WeakPolarHBondContact CD-OE1 3.44Å; R171-E175 HydrophobicContact CG-CG 4.41Å; R171-E175 VanDerWaalsContact CG-OE1 3.3Å; R171-E175 WeakPolarHBondContact CG-OE1 3.42Å; R171-E175 IonicContact CZ-OE1 2.71Å; R171-E175 IonicContact CZ-OE2 2.95Å; R171-E175 IonicContact NE-OE1 3.73Å; R171-E175 IonicContact NH1-OE1 3.68Å; R171-E175 PolarHBondContact NH1-OE1 2.91Å; R171-E175 IonicContact NH1-OE2 2.75Å; R171-E175 PolarHBondContact NH1-OE2 3.24Å; R171-E175 IonicContact NH2-OE2 3.61Å; R171-E175 PolarHBondContact NH2-OE2 3.2Å; R171-E175 WeakPolarHBondContact O-CB 3.46Å; R171-E175 VanDerWaalsContact O-CG 3.31Å; R171-E175 WeakPolarHBondContact O-CG 3.36Å; R171-E175 PolarHBondContact O-N 3.24Å; H172-E175 PolarHBondContact O-N 3.42Å; E175-K179 WeakPolarHBondContact O-CB 3.34Å; E175-K179 PolarHBondContact O-N 3.12Å
176Q97.4Very high97.5Very high63 Ų63106 Ų10629%0.29448%0.479SS..Hα-helixtrans-65.8-51.3173.4-83.6-64.7124.100112.1H172 H173 E174 Q178 K179 E180H172-Q176 WeakPolarHBondContact O-CB 3.46Å; H172-Q176 WeakPolarHBondContact O-CG 3.49Å; H172-Q176 PolarHBondContact O-N 2.99Å; H173-Q176 PolarHBondContact O-N 2.89Å; E174-Q176 VanDerWaalsContact C-N 3.3Å; E174-Q176 PolarHBondContact O-N 3.01Å; Q176-Q178 VanDerWaalsContact C-N 3.31Å; Q176-Q178 PolarHBondContact O-N 3.27Å; Q176-K179 WeakPolarHBondContact O-CA 3.43Å; Q176-K179 WeakPolarHBondContact O-CB 3.15Å; Q176-K179 PolarHBondContact O-N 2.91Å; Q176-E180 PolarHBondContact NE2-OE1 2.83Å; Q176-E180 VanDerWaalsContact O-CD 3.27Å; Q176-E180 WeakPolarHBondContact O-CG 3.45Å; Q176-E180 PolarHBondContact O-N 3.23Å
177R96.4Very high97.4Very high166 Ų166107.6 Ų107.663%0.62648%0.481SS*.Hα-helixtrans-55.3-46.2175.1-68.6-167.4-58.3178.92.3111.7H173 E174 K179 E180 E181H173-R177 WeakPolarHBondContact O-CG 3.37Å; H173-R177 PolarHBondContact O-N 2.86Å; E174-R177 PolarHBondContact O-N 3.34Å; E174-R177 IonicContact OE2-CZ 3.55Å; E174-R177 IonicContact OE2-NE 3.57Å; E174-R177 IonicContact OE2-NH2 2.7Å; E174-R177 PolarHBondContact OE2-NH2 3.16Å; R177-K179 VanDerWaalsContact C-N 3.3Å; R177-K179 PolarHBondContact O-N 2.82Å; R177-E180 PolarHBondContact O-N 3.03Å; R177-E181 WeakPolarHBondContact O-CB 3.46Å; R177-E181 PolarHBondContact O-N 3.32Å
178Q97.4Very high97.3Very high82 Ų82103.4 Ų103.438%0.38347%0.469SS..Hα-helixtrans-65.2-30.9176.8-69.7-176.622.100113.3E174 Q176 R182E174-Q178 WeakPolarHBondContact O-CG 3.48Å; E174-Q178 PolarHBondContact O-N 2.87Å; E174-Q178 PolarHBondContact OE1-NE2 3.12Å; Q176-Q178 VanDerWaalsContact C-N 3.31Å; Q176-Q178 PolarHBondContact O-N 3.27Å; Q178-R182 WeakPolarHBondContact O-CB 3.22Å; Q178-R182 PolarHBondContact O-N 2.76Å; Q178-R182 PolarHBondContact O-NH1 3.31Å
179K97.1Very high97.3Very high124 Ų12499.8 Ų99.854%0.53946%0.456SS..Hα-helixtrans-72.3-41.5176.2-179.4-176.8174.4-171.50111.6E175 Q176 R177 R182 A183E175-K179 WeakPolarHBondContact O-CB 3.34Å; E175-K179 PolarHBondContact O-N 3.12Å; Q176-K179 WeakPolarHBondContact O-CA 3.43Å; Q176-K179 WeakPolarHBondContact O-CB 3.15Å; Q176-K179 PolarHBondContact O-N 2.91Å; R177-K179 VanDerWaalsContact C-N 3.3Å; R177-K179 PolarHBondContact O-N 2.82Å; K179-R182 PolarHBondContact O-N 2.7Å; K179-A183 WeakPolarHBondContact O-CB 3.37Å; K179-A183 PolarHBondContact O-N 3.43Å
180E96.3Very high97.2Very high107 Ų107102.4 Ų102.450%0.546%0.462SS..Hα-helixtrans-66.5-44.8175.4-70.7144.9-150.700111.3Q176 R177 R182 A183 R184Q176-E180 PolarHBondContact NE2-OE1 2.83Å; Q176-E180 VanDerWaalsContact O-CD 3.27Å; Q176-E180 WeakPolarHBondContact O-CG 3.45Å; Q176-E180 PolarHBondContact O-N 3.23Å; R177-E180 PolarHBondContact O-N 3.03Å; E180-R182 VanDerWaalsContact C-N 3.33Å; E180-R182 PolarHBondContact O-N 3Å; E180-A183 PolarHBondContact O-N 3.05Å; E180-R184 PolarHBondContact O-N 3.03Å
181E95.7Very high97.2Very high94 Ų94102.1 Ų102.144%0.43946%0.461SS..Hα-helixtrans-65.4-35.3176.5-159.2-121128.500112.3R177 R185R177-E181 WeakPolarHBondContact O-CB 3.46Å; R177-E181 PolarHBondContact O-N 3.32Å; E181-R185 WeakPolarHBondContact O-CB 3.17Å; E181-R185 PolarHBondContact O-N 2.83Å; E181-R185 PolarHBondContact O-NH1 2.9Å; E181-R185 IonicContact OE1-CZ 3.12Å; E181-R185 IonicContact OE1-NH1 2.69Å; E181-R185 PolarHBondContact OE1-NH1 3.39Å; E181-R185 IonicContact OE1-NH2 2.66Å; E181-R185 PolarHBondContact OE1-NH2 2.87Å
182R96.7Very high97.2Very high118 Ų118104.6 Ų104.645%0.44547%0.47SS..Hα-helixtrans-66-48170.5-176-178.2-59.295.14.5111.5Q178 K179 E180 R184 R185 E186Q178-R182 WeakPolarHBondContact O-CB 3.22Å; Q178-R182 PolarHBondContact O-N 2.76Å; Q178-R182 PolarHBondContact O-NH1 3.31Å; K179-R182 PolarHBondContact O-N 2.7Å; E180-R182 VanDerWaalsContact C-N 3.33Å; E180-R182 PolarHBondContact O-N 3Å; R182-R184 PolarHBondContact O-N 3.47Å; R182-R185 WeakPolarHBondContact O-CB 3.38Å; R182-R185 PolarHBondContact O-N 3.23Å; R182-R185 VanDerWaalsContact O-N 3.12Å; R182-E186 WeakPolarHBondContact CD-OE1 3.5Å; R182-E186 HydrophobicContact CG-CG 4.45Å; R182-E186 WeakPolarHBondContact CG-OE1 3.47Å; R182-E186 WeakPolarHBondContact O-CG 3.47Å; R182-E186 PolarHBondContact O-N 2.96Å
183A97Very high97.3Very high53 Ų53107.3 Ų107.344%0.43848%0.476SS..Hα-helixtrans-58.7-44.7177.800000111.9K179 E180 R185 E186 E187K179-A183 WeakPolarHBondContact O-CB 3.37Å; K179-A183 PolarHBondContact O-N 3.43Å; E180-A183 PolarHBondContact O-N 3.05Å; A183-R185 VanDerWaalsContact C-N 3.29Å; A183-R185 PolarHBondContact O-N 3.36Å; A183-E186 PolarHBondContact O-N 3.41Å; A183-E186 VanDerWaalsContact O-N 3.16Å; A183-E187 PolarHBondContact O-N 3.33Å
184R96.4Very high97.2Very high169 Ų169106 Ų10664%0.63847%0.472SS*.Hα-helixtrans-59.1-39.2175.2-166.5174.680.7155.4-0.7112.2E180 R182 Q188E180-R184 PolarHBondContact O-N 3.03Å; R182-R184 PolarHBondContact O-N 3.47Å; R184-Q188 WeakPolarHBondContact O-CG 3.19Å; R184-Q188 PolarHBondContact O-N 2.92Å
185R96.8Very high97.3Very high136 Ų136105.4 Ų105.451%0.51348%0.48SS..Hα-helixtrans-69.8-39.4175.9178.5-172.5-77.291.7-7.5112.1E181 R182 A183 A189E181-R185 WeakPolarHBondContact O-CB 3.17Å; E181-R185 PolarHBondContact O-N 2.83Å; E181-R185 PolarHBondContact O-NH1 2.9Å; E181-R185 IonicContact OE1-CZ 3.12Å; E181-R185 IonicContact OE1-NH1 2.69Å; E181-R185 PolarHBondContact OE1-NH1 3.39Å; E181-R185 IonicContact OE1-NH2 2.66Å; E181-R185 PolarHBondContact OE1-NH2 2.87Å; R182-R185 WeakPolarHBondContact O-CB 3.38Å; R182-R185 PolarHBondContact O-N 3.23Å; R182-R185 VanDerWaalsContact O-N 3.12Å; A183-R185 VanDerWaalsContact C-N 3.29Å; A183-R185 PolarHBondContact O-N 3.36Å; R185-A189 WeakPolarHBondContact O-CB 3.24Å; R185-A189 PolarHBondContact O-N 2.96Å
186E96.9Very high97.3Very high108 Ų108104.3 Ų104.351%0.50548%0.481SS..Hα-helixtrans-69.4-37.9177.9-75.3174.3-167.200112.7R182 A183 A189 K190R182-E186 WeakPolarHBondContact CD-OE1 3.5Å; R182-E186 HydrophobicContact CG-CG 4.45Å; R182-E186 WeakPolarHBondContact CG-OE1 3.47Å; R182-E186 WeakPolarHBondContact O-CG 3.47Å; R182-E186 PolarHBondContact O-N 2.96Å; A183-E186 PolarHBondContact O-N 3.41Å; A183-E186 VanDerWaalsContact O-N 3.16Å; E186-A189 CarbonylContact O-C 3.54Å; E186-A189 WeakPolarHBondContact O-CB 3.37Å; E186-A189 PolarHBondContact O-N 2.9Å; E186-K190 PolarHBondContact O-N 3.15Å
187E96.8Very high97.4Very high120 Ų120104.6 Ų104.656%0.56149%0.488SS*.Hα-helixtrans-61.5-50.4172.1-175.7-175.5-160.800111.1A183 A189 K190 L191A183-E187 PolarHBondContact O-N 3.33Å; E187-A189 PolarHBondContact O-N 2.86Å; E187-K190 WeakPolarHBondContact O-CA 3.47Å; E187-K190 WeakPolarHBondContact O-CB 3.41Å; E187-K190 PolarHBondContact O-N 2.67Å; E187-L191 PolarHBondContact O-N 3.2Å
188Q97Very high97.5Very high82 Ų82102.4 Ų102.438%0.38349%0.486SS..Hα-helixtrans-59.9-33.4174.5-66.9-177.916.700112.2R184 R192R184-Q188 WeakPolarHBondContact O-CG 3.19Å; R184-Q188 PolarHBondContact O-N 2.92Å; Q188-R192 WeakPolarHBondContact O-CB 3.32Å; Q188-R192 WeakPolarHBondContact O-CG 3.22Å; Q188-R192 PolarHBondContact O-N 2.93Å; Q188-R192 PolarHBondContact O-NE 3.45Å
189A97.8Very high97.6Very high32 Ų32100.2 Ų100.226%0.26448%0.482SS..Hα-helixtrans-69.9-34.2174.100000112.5R185 E186 E187 R193R185-A189 WeakPolarHBondContact O-CB 3.24Å; R185-A189 PolarHBondContact O-N 2.96Å; E186-A189 CarbonylContact O-C 3.54Å; E186-A189 WeakPolarHBondContact O-CB 3.37Å; E186-A189 PolarHBondContact O-N 2.9Å; E187-A189 PolarHBondContact O-N 2.86Å; A189-R193 WeakPolarHBondContact O-CB 3.31Å; A189-R193 WeakPolarHBondContact O-CG 3.39Å; A189-R193 PolarHBondContact O-N 3.49Å; A189-R193 PolarHBondContact O-NE 3.41Å
190K98.1Very high97.6Very high128 Ų128100.3 Ų100.356%0.55748%0.483SS*.Hα-helixtrans-65.1-46.2171.6-179.7179.5177.7-178.70110.9E186 E187 R193 I194E186-K190 PolarHBondContact O-N 3.15Å; E187-K190 WeakPolarHBondContact O-CA 3.47Å; E187-K190 WeakPolarHBondContact O-CB 3.41Å; E187-K190 PolarHBondContact O-N 2.67Å; K190-R193 WeakPolarHBondContact O-CB 3.36Å; K190-R193 PolarHBondContact O-N 3.38Å; K190-I194 HydrophobicContact CG-CD1 4.12Å; K190-I194 WeakPolarHBondContact O-CG1 3.3Å; K190-I194 PolarHBondContact O-N 2.88Å
191L98.3Very high97.7Very high103 Ų10399.4 Ų99.454%0.53948%0.481SS..Hα-helixtrans-60.9-44.5174.3-67.1172.9000112E187 R193 I194 A195E187-L191 PolarHBondContact O-N 3.2Å; L191-R193 VanDerWaalsContact C-N 3.33Å; L191-R193 PolarHBondContact O-N 3.36Å; L191-I194 PolarHBondContact O-N 3.22Å; L191-A195 WeakPolarHBondContact O-CB 3.27Å; L191-A195 PolarHBondContact O-N 2.92Å
192R98.3Very high97.9Very high153 Ų15398.9 Ų98.958%0.57748%0.484SS*.Hα-helixtrans-62.2-36.5174-77.2-175.5-86.3-986.1112.6Q188 S196Q188-R192 WeakPolarHBondContact O-CB 3.32Å; Q188-R192 WeakPolarHBondContact O-CG 3.22Å; Q188-R192 PolarHBondContact O-N 2.93Å; Q188-R192 PolarHBondContact O-NE 3.45Å; R192-S196 WeakPolarHBondContact O-CB 3.35Å; R192-S196 PolarHBondContact O-N 3.02Å; R192-S196 VanDerWaalsContact O-N 3.07Å
193R98.4Very high97.9Very high148 Ų148100.6 Ų100.656%0.55849%0.491SS*.Hα-helixtrans-64.1-50.5172.5-84.1175.9-95.1136.4-7111.8A189 K190 L191 A195 S196 T197A189-R193 WeakPolarHBondContact O-CB 3.31Å; A189-R193 WeakPolarHBondContact O-CG 3.39Å; A189-R193 PolarHBondContact O-N 3.49Å; A189-R193 PolarHBondContact O-NE 3.41Å; K190-R193 WeakPolarHBondContact O-CB 3.36Å; K190-R193 PolarHBondContact O-N 3.38Å; L191-R193 VanDerWaalsContact C-N 3.33Å; L191-R193 PolarHBondContact O-N 3.36Å; R193-A195 PolarHBondContact O-N 3.4Å; R193-S196 WeakPolarHBondContact O-CB 3.45Å; R193-S196 PolarHBondContact O-N 2.92Å; R193-S196 VanDerWaalsContact O-N 3.09Å; R193-T197 PolarHBondContact O-N 3.02Å; R193-T197 PolarHBondContact O-OG1 2.95Å
194I98.4Very high98Very high83 Ų83102.7 Ų102.743%0.42649%0.491SS..Hα-helixtrans-56.9-49.1178.5-67.1162.5000110.9K190 L191 S196 T197 M198K190-I194 HydrophobicContact CG-CD1 4.12Å; K190-I194 WeakPolarHBondContact O-CG1 3.3Å; K190-I194 PolarHBondContact O-N 2.88Å; L191-I194 PolarHBondContact O-N 3.22Å; I194-S196 VanDerWaalsContact C-N 3.28Å; I194-S196 PolarHBondContact O-N 2.98Å; I194-T197 PolarHBondContact O-N 2.92Å; I194-M198 HydrophobicContact CG2-SD 4.1Å; I194-M198 WeakPolarHBondContact O-CG 3.44Å; I194-M198 PolarHBondContact O-N 3.39Å
195A98.6Very high98.1Very high59 Ų59100.4 Ų100.449%0.48849%0.486SS..Hα-helixtrans-61.3-35.5177.300000112.9L191 R193 A199L191-A195 WeakPolarHBondContact O-CB 3.27Å; L191-A195 PolarHBondContact O-N 2.92Å; R193-A195 PolarHBondContact O-N 3.4Å; A195-A199 VanDerWaalsContact O-CB 3.32Å; A195-A199 WeakPolarHBondContact O-CB 3.44Å; A195-A199 PolarHBondContact O-N 3.37Å
196S98.6Very high98.2Very high62 Ų62101.6 Ų101.643%0.43449%0.491SS..Hα-helixtrans-68.2-40.7175.2-170.30000112.4R192 R193 I194 A199 K200R192-S196 WeakPolarHBondContact O-CB 3.35Å; R192-S196 PolarHBondContact O-N 3.02Å; R192-S196 VanDerWaalsContact O-N 3.07Å; R193-S196 WeakPolarHBondContact O-CB 3.45Å; R193-S196 PolarHBondContact O-N 2.92Å; R193-S196 VanDerWaalsContact O-N 3.09Å; I194-S196 VanDerWaalsContact C-N 3.28Å; I194-S196 PolarHBondContact O-N 2.98Å; S196-A199 PolarHBondContact O-N 2.81Å; S196-K200 WeakPolarHBondContact O-CG 3.38Å; S196-K200 PolarHBondContact O-N 2.84Å
197T98.6Very high98.3Very high70 Ų7098.6 Ų98.643%0.42948%0.482SS..Hα-helixtrans-62.2-54173.5-580000110.7R193 I194 A199 K200 D201R193-T197 PolarHBondContact O-N 3.02Å; R193-T197 PolarHBondContact O-OG1 2.95Å; I194-T197 PolarHBondContact O-N 2.92Å; T197-A199 PolarHBondContact O-N 2.92Å; T197-A199 VanDerWaalsContact O-N 3.09Å; T197-K200 CarbonylContact O-C 3.59Å; T197-K200 WeakPolarHBondContact O-CA 3.49Å; T197-K200 VanDerWaalsContact O-CB 3.27Å; T197-K200 WeakPolarHBondContact O-CB 3.42Å; T197-K200 PolarHBondContact O-N 3.07Å; T197-D201 PolarHBondContact O-N 2.96Å
198M98.5Very high98.3Very high119 Ų11996.3 Ų96.359%0.58647%0.474SS*.Hα-helixtrans-54.4-36.6176.2-66.1177.274.300112.6I194 D201 V202I194-M198 HydrophobicContact CG2-SD 4.1Å; I194-M198 WeakPolarHBondContact O-CG 3.44Å; I194-M198 PolarHBondContact O-N 3.39Å; M198-D201 WeakPolarHBondContact CA-OD2 3.36Å; M198-D201 PolarHBondContact O-N 2.64Å; M198-V202 WeakPolarHBondContact O-CG2 3.47Å; M198-V202 PolarHBondContact O-N 3.48Å
199A98.7Very high98.4Very high37 Ų3794.9 Ų94.931%0.30647%0.47SS..Hα-helixtrans-70.2-29.5174.700000113.6A195 S196 T197 R203A195-A199 VanDerWaalsContact O-CB 3.32Å; A195-A199 WeakPolarHBondContact O-CB 3.44Å; A195-A199 PolarHBondContact O-N 3.37Å; S196-A199 PolarHBondContact O-N 2.81Å; T197-A199 PolarHBondContact O-N 2.92Å; T197-A199 VanDerWaalsContact O-N 3.09Å; A199-R203 VanDerWaalsContact C-NH2 3.26Å; A199-R203 WeakPolarHBondContact O-CG 3.49Å; A199-R203 PolarHBondContact O-N 3.34Å; A199-R203 PolarHBondContact O-NE 2.97Å; A199-R203 VanDerWaalsContact O-NE 3.13Å; A199-R203 PolarHBondContact O-NH2 2.96Å
200K98.6Very high98.4Very high126 Ų12698.7 Ų98.755%0.54848%0.483SS..Hα-helixtrans-67.7-47.7167.8-67.2173.9-180-177.40110S196 T197 V202 R203 Q204S196-K200 WeakPolarHBondContact O-CG 3.38Å; S196-K200 PolarHBondContact O-N 2.84Å; T197-K200 CarbonylContact O-C 3.59Å; T197-K200 WeakPolarHBondContact O-CA 3.49Å; T197-K200 VanDerWaalsContact O-CB 3.27Å; T197-K200 WeakPolarHBondContact O-CB 3.42Å; T197-K200 PolarHBondContact O-N 3.07Å; K200-V202 VanDerWaalsContact C-N 3.34Å; K200-V202 PolarHBondContact O-N 2.74Å; K200-R203 VanDerWaalsContact N-NH2 3.19Å; K200-R203 CarbonylContact O-C 3.55Å; K200-R203 WeakPolarHBondContact O-CA 3.15Å; K200-R203 WeakPolarHBondContact O-CB 3.18Å; K200-R203 PolarHBondContact O-N 3.5Å; K200-Q204 PolarHBondContact O-N 3.04Å
201D98.3Very high98.3Very high87 Ų8798.1 Ų98.147%0.46548%0.48SS..Hα-helixtrans-61.2-42.7-176.1-49.5-28.7000111.4T197 M198 R203 Q204 F205T197-D201 PolarHBondContact O-N 2.96Å; M198-D201 WeakPolarHBondContact CA-OD2 3.36Å; M198-D201 PolarHBondContact O-N 2.64Å; D201-R203 PolarHBondContact O-N 3.42Å; D201-Q204 PolarHBondContact O-N 3.03Å; D201-F205 WeakPolarHBondContact O-CB 3.33Å; D201-F205 PolarHBondContact O-N 2.73Å
202V98.7Very high98.3Very high84 Ų8496.9 Ų96.951%0.50948%0.476SS..Hα-helixtrans-62.6-41.6173.6170.10000111.7M198 K200 W206M198-V202 WeakPolarHBondContact O-CG2 3.47Å; M198-V202 PolarHBondContact O-N 3.48Å; K200-V202 VanDerWaalsContact C-N 3.34Å; K200-V202 PolarHBondContact O-N 2.74Å; V202-W206 PolarHBondContact O-N 2.87Å; V202-W206 VanDerWaalsContact O-N 3.12Å
203R98.1Very high98.3Very high153 Ų15393.9 Ų93.958%0.57748%0.475SS*.Hα-helixtrans-64.6-40174.1-75.1-179.6-66.6-106-3.6111.7A199 K200 D201 W206 S207A199-R203 VanDerWaalsContact C-NH2 3.26Å; A199-R203 WeakPolarHBondContact O-CG 3.49Å; A199-R203 PolarHBondContact O-N 3.34Å; A199-R203 PolarHBondContact O-NE 2.97Å; A199-R203 VanDerWaalsContact O-NE 3.13Å; A199-R203 PolarHBondContact O-NH2 2.96Å; K200-R203 VanDerWaalsContact N-NH2 3.19Å; K200-R203 CarbonylContact O-C 3.55Å; K200-R203 WeakPolarHBondContact O-CA 3.15Å; K200-R203 WeakPolarHBondContact O-CB 3.18Å; K200-R203 PolarHBondContact O-N 3.5Å; D201-R203 PolarHBondContact O-N 3.42Å; R203-W206 PolarHBondContact O-N 3.27Å; R203-S207 WeakPolarHBondContact O-CB 3.44Å; R203-S207 PolarHBondContact O-N 2.66Å
204Q98.4Very high98.2Very high98 Ų9892 Ų9246%0.45847%0.472SS..Hα-helixtrans-68.1-39.8179.1-168.256.647.800111.8K200 D201 S207 N208K200-Q204 PolarHBondContact O-N 3.04Å; D201-Q204 PolarHBondContact O-N 3.03Å; Q204-S207 PolarHBondContact O-N 3.04Å; Q204-N208 PolarHBondContact NE2-OD1 3.14Å; Q204-N208 WeakPolarHBondContact O-CB 3.16Å; Q204-N208 PolarHBondContact O-N 3.22Å
205F98.6Very high98.1Very high121 Ų12194.6 Ų94.653%0.53148%0.481SS..Hα-helixtrans-56.8-50.5171.2172.5-95.7000111.2D201 S207 N208 V209D201-F205 WeakPolarHBondContact O-CB 3.33Å; D201-F205 PolarHBondContact O-N 2.73Å; F205-S207 PolarHBondContact O-N 3.21Å; F205-N208 PolarHBondContact O-N 3.39Å; F205-V209 HydrophobicContact CD1-CG2 4.32Å; F205-V209 HydrophobicContact CE1-CG2 3.86Å; F205-V209 HydrophobicContact CE2-CG2 4.14Å; F205-V209 HydrophobicContact CZ-CG2 3.76Å; F205-V209 WeakPolarHBondContact O-CG2 3.41Å; F205-V209 PolarHBondContact O-N 3.36Å
206W98.6Very high98.1Very high161 Ų16198.3 Ų98.361%0.6149%0.486SS*.Hα-helixtrans-66.1-36.5178.9-72.9116.4000113V202 R203 V209 E210V202-W206 PolarHBondContact O-N 2.87Å; V202-W206 VanDerWaalsContact O-N 3.12Å; R203-W206 PolarHBondContact O-N 3.27Å; W206-V209 HydrophobicContact CE3-CB 4.33Å; W206-V209 HydrophobicContact CE3-CG1 4.29Å; W206-V209 HydrophobicContact CZ3-CG1 4.38Å; W206-V209 PolarHBondContact O-N 3.29Å; W206-E210 PolarHBondContact O-N 3.1Å
207S98.4Very high98Very high44 Ų44100.8 Ų100.831%0.30849%0.491SS..Hα-helixtrans-61.9-42.7171.1-177.50000111.9R203 Q204 F205 E210 K211R203-S207 WeakPolarHBondContact O-CB 3.44Å; R203-S207 PolarHBondContact O-N 2.66Å; Q204-S207 PolarHBondContact O-N 3.04Å; F205-S207 PolarHBondContact O-N 3.21Å; S207-E210 WeakPolarHBondContact O-CB 3.32Å; S207-E210 PolarHBondContact O-N 3.06Å; S207-K211 WeakPolarHBondContact O-CG 3.08Å; S207-K211 PolarHBondContact O-N 2.94Å
208N98.1Very high97.9Very high73 Ų73101.8 Ų101.839%0.3949%0.491SS..Hα-helixtrans-67.7-37.1177.2-70.4-9.5000111.9Q204 F205 E210 K211 V212Q204-N208 PolarHBondContact NE2-OD1 3.14Å; Q204-N208 WeakPolarHBondContact O-CB 3.16Å; Q204-N208 PolarHBondContact O-N 3.22Å; F205-N208 PolarHBondContact O-N 3.39Å; N208-E210 VanDerWaalsContact C-N 3.34Å; N208-K211 PolarHBondContact O-N 2.69Å; N208-V212 WeakPolarHBondContact O-CG2 3.39Å; N208-V212 PolarHBondContact O-N 2.87Å
209V97.9Very high97.8Very high52 Ų5298.7 Ų98.732%0.31548%0.481SS..Hα-helixtrans-62.2-41.9170170.20000110.9F205 W206 V212 V213F205-V209 HydrophobicContact CD1-CG2 4.32Å; F205-V209 HydrophobicContact CE1-CG2 3.86Å; F205-V209 HydrophobicContact CE2-CG2 4.14Å; F205-V209 HydrophobicContact CZ-CG2 3.76Å; F205-V209 WeakPolarHBondContact O-CG2 3.41Å; F205-V209 PolarHBondContact O-N 3.36Å; W206-V209 HydrophobicContact CE3-CB 4.33Å; W206-V209 HydrophobicContact CE3-CG1 4.29Å; W206-V209 HydrophobicContact CZ3-CG1 4.38Å; W206-V209 PolarHBondContact O-N 3.29Å; V209-V212 PolarHBondContact O-N 3.39Å; V209-V213 WeakPolarHBondContact O-CG2 3.49Å; V209-V213 PolarHBondContact O-N 3.2Å
210E97.3Very high97.6Very high112 Ų112104.9 Ų104.952%0.52350%0.496SS..Hα-helixtrans-61.5-49175.3-161.6-166.7157.200111.4W206 S207 N208 V212 V213 Q214W206-E210 PolarHBondContact O-N 3.1Å; S207-E210 WeakPolarHBondContact O-CB 3.32Å; S207-E210 PolarHBondContact O-N 3.06Å; N208-E210 VanDerWaalsContact C-N 3.34Å; E210-V212 VanDerWaalsContact C-N 3.26Å; E210-V212 PolarHBondContact O-N 3.14Å; E210-V213 CarbonylContact O-C 3.54Å; E210-V213 WeakPolarHBondContact O-CA 3.35Å; E210-V213 PolarHBondContact O-N 3.08Å; E210-Q214 HydrophobicContact CG-CG 4.36Å; E210-Q214 WeakPolarHBondContact O-CG 3.35Å; E210-Q214 PolarHBondContact O-N 3.39Å; E210-Q214 PolarHBondContact OE1-NE2 3.43Å
211K97.7Very high97.5Very high115 Ų115103.4 Ų103.450%0.549%0.494SS..Hα-helixtrans-52.7-42.5174.3-69.6172.9-173.9178.40111.8S207 N208 Q214 F215S207-K211 WeakPolarHBondContact O-CG 3.08Å; S207-K211 PolarHBondContact O-N 2.94Å; N208-K211 PolarHBondContact O-N 2.69Å; K211-Q214 PolarHBondContact O-N 3.17Å; K211-F215 WeakPolarHBondContact O-CB 3.34Å; K211-F215 PolarHBondContact O-N 3.32Å
212V97.8Very high97.4Very high77 Ų77103.9 Ų103.947%0.46749%0.493SS..Hα-helixtrans-67.6-35.7176.8170.50000112.5N208 V209 E210 K216N208-V212 WeakPolarHBondContact O-CG2 3.39Å; N208-V212 PolarHBondContact O-N 2.87Å; V209-V212 PolarHBondContact O-N 3.39Å; E210-V212 VanDerWaalsContact C-N 3.26Å; E210-V212 PolarHBondContact O-N 3.14Å; V212-K216 HydrophobicContact CG1-CD 4.4Å; V212-K216 WeakPolarHBondContact O-CB 3.39Å; V212-K216 WeakPolarHBondContact O-CG 3.12Å; V212-K216 PolarHBondContact O-N 3.47Å
213V97.8Very high97.2Very high91 Ų91104.5 Ų104.555%0.55249%0.49SS*.Hα-helixtrans-70.2-44.9174.4171.70000111V209 E210 K216 Q217V209-V213 WeakPolarHBondContact O-CG2 3.49Å; V209-V213 PolarHBondContact O-N 3.2Å; E210-V213 CarbonylContact O-C 3.54Å; E210-V213 WeakPolarHBondContact O-CA 3.35Å; E210-V213 PolarHBondContact O-N 3.08Å; V213-K216 PolarHBondContact O-N 2.98Å; V213-Q217 WeakPolarHBondContact O-CB 3.35Å; V213-Q217 PolarHBondContact O-N 3.34Å
214Q96.6Very high97.1Very high107 Ų107104.5 Ų104.550%0.550%0.495SS..Hα-helixtrans-57.3-48.6173.6-68.9177.9900110.6E210 K211 K216 Q217 Q218E210-Q214 HydrophobicContact CG-CG 4.36Å; E210-Q214 WeakPolarHBondContact O-CG 3.35Å; E210-Q214 PolarHBondContact O-N 3.39Å; E210-Q214 PolarHBondContact OE1-NE2 3.43Å; K211-Q214 PolarHBondContact O-N 3.17Å; Q214-K216 PolarHBondContact O-N 3.16Å; Q214-Q217 PolarHBondContact O-N 2.96Å; Q214-Q217 VanDerWaalsContact O-N 3.16Å; Q214-Q218 WeakPolarHBondContact O-CB 3.2Å; Q214-Q218 PolarHBondContact O-N 3.06Å
215F97.3Very high97.1Very high139 Ų139108.4 Ų108.461%0.6151%0.505SS*.Hα-helixtrans-59.8-44.3176.2-179.5-98.1000112.6K211 Q217 Q218 S219K211-F215 WeakPolarHBondContact O-CB 3.34Å; K211-F215 PolarHBondContact O-N 3.32Å; F215-Q217 VanDerWaalsContact C-N 3.3Å; F215-Q217 PolarHBondContact O-N 3.02Å; F215-Q218 PolarHBondContact O-N 3.43Å; F215-S219 WeakPolarHBondContact O-CB 3.28Å; F215-S219 PolarHBondContact O-N 3.17Å
216K96.8Very high97Very high137 Ų137109.2 Ų109.260%0.59651%0.509SS*.Hα-helixtrans-64.2-33.6175.9-79.4176.1176.8172.50112.9V212 V213 Q214 R220V212-K216 HydrophobicContact CG1-CD 4.4Å; V212-K216 WeakPolarHBondContact O-CB 3.39Å; V212-K216 WeakPolarHBondContact O-CG 3.12Å; V212-K216 PolarHBondContact O-N 3.47Å; V213-K216 PolarHBondContact O-N 2.98Å; Q214-K216 PolarHBondContact O-N 3.16Å; K216-R220 WeakPolarHBondContact O-CG 3.4Å; K216-R220 PolarHBondContact O-N 3.11Å
217Q96.7Very high96.9Very high113 Ų113106.9 Ų106.953%0.52850%0.503SS..Hα-helixtrans-73.7-42.6175.4178.156.323.400111.7V213 Q214 F215 R220 L221V213-Q217 WeakPolarHBondContact O-CB 3.35Å; V213-Q217 PolarHBondContact O-N 3.34Å; Q214-Q217 PolarHBondContact O-N 2.96Å; Q214-Q217 VanDerWaalsContact O-N 3.16Å; F215-Q217 VanDerWaalsContact C-N 3.3Å; F215-Q217 PolarHBondContact O-N 3.02Å; Q217-R220 PolarHBondContact O-N 3.37Å; Q217-L221 PolarHBondContact O-N 3.4Å
218Q96.2Very high96.8Very high92 Ų92107.8 Ų107.843%0.4351%0.513SS..Hα-helixtrans-63.1-48176.1-178.763.69.700111.3Q214 F215 R220 L221 E222Q214-Q218 WeakPolarHBondContact O-CB 3.2Å; Q214-Q218 PolarHBondContact O-N 3.06Å; F215-Q218 PolarHBondContact O-N 3.43Å; Q218-R220 VanDerWaalsContact C-N 3.29Å; Q218-R220 PolarHBondContact O-N 2.81Å; Q218-L221 CarbonylContact O-C 3.55Å; Q218-L221 WeakPolarHBondContact O-CA 3.47Å; Q218-L221 VanDerWaalsContact O-CB 3.28Å; Q218-L221 WeakPolarHBondContact O-CB 3.47Å; Q218-L221 PolarHBondContact O-N 3.18Å; Q218-E222 HydrophobicContact CG-CG 4.42Å; Q218-E222 WeakPolarHBondContact CG-OE1 3.3Å; Q218-E222 PolarHBondContact NE2-OE1 2.95Å; Q218-E222 PolarHBondContact O-N 2.92Å
219S97.1Very high96.7Very high54 Ų54109.3 Ų109.338%0.37852%0.521SS..Hα-helixtrans-55.9-40.2176.4178.40000112.5F215 L221 E222 E223F215-S219 WeakPolarHBondContact O-CB 3.28Å; F215-S219 PolarHBondContact O-N 3.17Å; S219-L221 VanDerWaalsContact C-N 3.3Å; S219-L221 PolarHBondContact O-N 3.03Å; S219-E222 PolarHBondContact O-N 2.65Å; S219-E223 WeakPolarHBondContact O-CB 3.19Å; S219-E223 PolarHBondContact O-N 3.2Å
220R95.4Very high96.6Very high167 Ų167110.5 Ų110.563%0.6353%0.525SS*.Hα-helixtrans-67.7-25.5173.2-77.7173.5164.6-170.4-3.3114.1K216 Q217 Q218 K224K216-R220 WeakPolarHBondContact O-CG 3.4Å; K216-R220 PolarHBondContact O-N 3.11Å; Q217-R220 PolarHBondContact O-N 3.37Å; Q218-R220 VanDerWaalsContact C-N 3.29Å; Q218-R220 PolarHBondContact O-N 2.81Å; R220-K224 WeakPolarHBondContact O-CG 3.38Å
221L95.9Very high96.5Very high94 Ų94111 Ų11149%0.49253%0.53SS..Hα-helixtrans-81.8-42.6177.4-146.5168.1000109.7Q217 Q218 S219 K224 R225Q217-L221 PolarHBondContact O-N 3.4Å; Q218-L221 CarbonylContact O-C 3.55Å; Q218-L221 WeakPolarHBondContact O-CA 3.47Å; Q218-L221 VanDerWaalsContact O-CB 3.28Å; Q218-L221 WeakPolarHBondContact O-CB 3.47Å; Q218-L221 PolarHBondContact O-N 3.18Å; S219-L221 VanDerWaalsContact C-N 3.3Å; S219-L221 PolarHBondContact O-N 3.03Å; L221-K224 PolarHBondContact O-N 3.35Å; L221-R225 PolarHBondContact O-N 2.86Å
222E95.1Very high96.4Very high98 Ų98110.8 Ų110.846%0.45853%0.531SS..Hα-helixtrans-66.2-37.4173.7-71.9173.8-179.700112.8Q218 S219 K224 R225 K226Q218-E222 HydrophobicContact CG-CG 4.42Å; Q218-E222 WeakPolarHBondContact CG-OE1 3.3Å; Q218-E222 PolarHBondContact NE2-OE1 2.95Å; Q218-E222 PolarHBondContact O-N 2.92Å; S219-E222 PolarHBondContact O-N 2.65Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 2.9Å; E222-R225 CarbonylContact O-C 3.56Å; E222-R225 PolarHBondContact O-N 3.08Å; E222-K226 WeakPolarHBondContact O-CB 3.38Å; E222-K226 PolarHBondContact O-N 3.24Å
223E96.4Very high96.3Very high96 Ų96111.9 Ų111.945%0.44953%0.534SS..Hα-helixtrans-58.8-43.7172.3-170.2-160.5178.500111S219 K226 K227S219-E223 WeakPolarHBondContact O-CB 3.19Å; S219-E223 PolarHBondContact O-N 3.2Å; E223-K226 PolarHBondContact O-N 3.4Å; E223-K227 WeakPolarHBondContact O-CG 3.41Å; E223-K227 PolarHBondContact O-N 3.45Å; E223-K227 WeakPolarHBondContact OE1-CE 3.49Å; E223-K227 IonicContact OE1-NZ 2.6Å; E223-K227 PolarHBondContact OE1-NZ 3.16Å
224K96.1Very high96.2Very high154 Ų154112.5 Ų112.567%0.6753%0.534SS*.Hα-helixtrans-66.8-41.8175.2-69.8172.6-177.3179.50111.7R220 L221 E222 K227 A228R220-K224 WeakPolarHBondContact O-CG 3.38Å; L221-K224 PolarHBondContact O-N 3.35Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 2.9Å; K224-K227 PolarHBondContact O-N 2.88Å; K224-A228 PolarHBondContact O-N 3.35Å
225R96.8Very high96.1Very high180 Ų180113.4 Ų113.468%0.67954%0.537SS*.Hα-helixtrans-62.9-42.7176.2-170.7176.9-177.6169.90.5111.3L221 E222 A228 L229L221-R225 PolarHBondContact O-N 2.86Å; E222-R225 CarbonylContact O-C 3.56Å; E222-R225 PolarHBondContact O-N 3.08Å; R225-A228 PolarHBondContact O-N 3.23Å; R225-L229 HydrophobicContact CG-CD1 4.42Å; R225-L229 WeakPolarHBondContact O-CG 3.3Å; R225-L229 PolarHBondContact O-N 2.83Å
226K96.9Very high96.1Very high137 Ų137110.6 Ų110.660%0.59653%0.527SS*.Hα-helixtrans-63-47175.4-175175.3177.9179.20111.1E222 E223 A228 L229 D230E222-K226 WeakPolarHBondContact O-CB 3.38Å; E222-K226 PolarHBondContact O-N 3.24Å; E223-K226 PolarHBondContact O-N 3.4Å; K226-A228 VanDerWaalsContact C-N 3.26Å; K226-A228 PolarHBondContact O-N 2.97Å; K226-L229 CarbonylContact O-C 3.58Å; K226-L229 WeakPolarHBondContact O-CA 3.41Å; K226-L229 WeakPolarHBondContact O-CB 3.42Å; K226-L229 PolarHBondContact O-N 3.31Å; K226-D230 PolarHBondContact O-N 3.43Å
227K96.3Very high96.1Very high113 Ų113107 Ų10749%0.49152%0.517SS..Hα-helixtrans-59.7-35175.9-72.9172.4-174174.60112.9E223 K224 L231E223-K227 WeakPolarHBondContact O-CG 3.41Å; E223-K227 PolarHBondContact O-N 3.45Å; E223-K227 WeakPolarHBondContact OE1-CE 3.49Å; E223-K227 IonicContact OE1-NZ 2.6Å; E223-K227 PolarHBondContact OE1-NZ 3.16Å; K224-K227 PolarHBondContact O-N 2.88Å; K227-L231 VanDerWaalsContact O-CG 3.31Å; K227-L231 WeakPolarHBondContact O-CG 3.28Å; K227-L231 PolarHBondContact O-N 3.03Å; K227-L231 VanDerWaalsContact O-N 3.11Å
228A96.4Very high95.9Very high63 Ų63102.2 Ų102.252%0.52150%0.497SS..Hα-helixtrans-69.8-32.2173.500000113.1K224 R225 K226 H232K224-A228 PolarHBondContact O-N 3.35Å; R225-A228 PolarHBondContact O-N 3.23Å; K226-A228 VanDerWaalsContact C-N 3.26Å; K226-A228 PolarHBondContact O-N 2.97Å; A228-H232 PolarHBondContact O-N 2.86Å
229L95.4Very high95.8Very high105 Ų105100.5 Ų100.555%0.5549%0.489SS..Hα-helixtrans-75.7-40.2173.6-68.4168000112.3R225 K226 H232 L233R225-L229 HydrophobicContact CG-CD1 4.42Å; R225-L229 WeakPolarHBondContact O-CG 3.3Å; R225-L229 PolarHBondContact O-N 2.83Å; K226-L229 CarbonylContact O-C 3.58Å; K226-L229 WeakPolarHBondContact O-CA 3.41Å; K226-L229 WeakPolarHBondContact O-CB 3.42Å; K226-L229 PolarHBondContact O-N 3.31Å; L229-H232 WeakPolarHBondContact O-CB 3.43Å; L229-H232 PolarHBondContact O-N 3.13Å; L229-H232 VanDerWaalsContact O-N 3.11Å; L229-L233 PolarHBondContact O-N 2.98Å
230D96.3Very high95.5Very high76 Ų76101.8 Ų101.841%0.40650%0.495SS..Hα-helixtrans-56-51.6172.7-98.36.5000110.1K226 H232 L233 D234K226-D230 PolarHBondContact O-N 3.43Å; D230-H232 PolarHBondContact O-N 2.94Å; D230-H232 VanDerWaalsContact O-N 3.14Å; D230-L233 CarbonylContact O-C 3.56Å; D230-L233 WeakPolarHBondContact O-CA 3.36Å; D230-L233 WeakPolarHBondContact O-CB 3.43Å; D230-L233 PolarHBondContact O-N 3.16Å; D230-D234 PolarHBondContact O-N 2.89Å
231L95.9Very high95.4Very high122 Ų12299.3 Ų99.364%0.63949%0.491SS*.Hα-helixtrans-59.4-27.8177.2-74168.5000113.3K227 F235K227-L231 VanDerWaalsContact O-CG 3.31Å; K227-L231 WeakPolarHBondContact O-CG 3.28Å; K227-L231 PolarHBondContact O-N 3.03Å; K227-L231 VanDerWaalsContact O-N 3.11Å; L231-F235 WeakPolarHBondContact O-CB 3.4Å; L231-F235 PolarHBondContact O-N 3.26Å
232H94.6Very high95.2Very high112 Ų112100.7 Ų100.752%0.51949%0.493SS..Hα-helixtrans-78.6-37.3174.1-172.547.8000112A228 L229 D230 F235 I236A228-H232 PolarHBondContact O-N 2.86Å; L229-H232 WeakPolarHBondContact O-CB 3.43Å; L229-H232 PolarHBondContact O-N 3.13Å; L229-H232 VanDerWaalsContact O-N 3.11Å; D230-H232 PolarHBondContact O-N 2.94Å; D230-H232 VanDerWaalsContact O-N 3.14Å; H232-F235 PolarHBondContact O-N 3.43Å; H232-I236 WeakPolarHBondContact O-CG1 3.46Å; H232-I236 PolarHBondContact O-N 3.35Å; H232-I236 VanDerWaalsContact O-N 3.07Å
233L96.4Very high94.9Very high99 Ų99103 Ų10352%0.51850%0.498SS..Hα-helixtrans-65-49173.2-177.361.7000111.1L229 D230 F235 I236 V237L229-L233 PolarHBondContact O-N 2.98Å; D230-L233 CarbonylContact O-C 3.56Å; D230-L233 WeakPolarHBondContact O-CA 3.36Å; D230-L233 WeakPolarHBondContact O-CB 3.43Å; D230-L233 PolarHBondContact O-N 3.16Å; L233-F235 PolarHBondContact O-N 3.09Å; L233-I236 PolarHBondContact O-N 3.21Å; L233-V237 HydrophobicContact CD1-CG2 4.14Å; L233-V237 HydrophobicContact CG-CG2 4.3Å; L233-V237 WeakPolarHBondContact O-CG2 3.48Å; L233-V237 PolarHBondContact O-N 3.04Å
234D95.6Very high94.7Very high105 Ų105101.8 Ų101.856%0.56150%0.5SS*.Hα-helixtrans-53.6-42.4173.2-74.5-17.3000111.5D230 G238D230-D234 PolarHBondContact O-N 2.89Å; D234-G238 WeakPolarHBondContact O-CA 3.36Å; D234-G238 PolarHBondContact O-N 3Å
235F95.6Very high94.4Very high126 Ų12698.8 Ų98.855%0.55349%0.491SS*.Hα-helixtrans-62.6-45.3175.8178.1-92.2000111.9L231 H232 L233 Q239L231-F235 WeakPolarHBondContact O-CB 3.4Å; L231-F235 PolarHBondContact O-N 3.26Å; H232-F235 PolarHBondContact O-N 3.43Å; L233-F235 PolarHBondContact O-N 3.09Å; F235-Q239 HydrophobicContact CE1-CG 4.18Å; F235-Q239 VanDerWaalsContact CE2-NE2 3.32Å; F235-Q239 HydrophobicContact CZ-CG 4.36Å; F235-Q239 VanDerWaalsContact CZ-NE2 3.31Å; F235-Q239 WeakPolarHBondContact O-CG 3.17Å; F235-Q239 PolarHBondContact O-N 3.27Å; F235-Q239 VanDerWaalsContact O-N 3.09Å
236I95.8Very high93.9Very high80 Ų8095.7 Ų95.741%0.4149%0.488SS..Hα-helixtrans-65.9-50.5179-68.5165000110.7H232 L233 G238 Q239 T240H232-I236 WeakPolarHBondContact O-CG1 3.46Å; H232-I236 PolarHBondContact O-N 3.35Å; H232-I236 VanDerWaalsContact O-N 3.07Å; L233-I236 PolarHBondContact O-N 3.21Å; I236-G238 VanDerWaalsContact C-N 3.33Å; I236-G238 PolarHBondContact O-N 2.87Å; I236-Q239 WeakPolarHBondContact O-CB 3.44Å; I236-Q239 PolarHBondContact O-N 3.03Å; I236-T240 PolarHBondContact O-N 3.29Å
237V96.5Very high93.4Very high61 Ų6195.2 Ų95.237%0.3749%0.491SS..Hα-helixtrans-57.3-49178.1173.80000109.6L233 Q239 T240 E241L233-V237 HydrophobicContact CD1-CG2 4.14Å; L233-V237 HydrophobicContact CG-CG2 4.3Å; L233-V237 WeakPolarHBondContact O-CG2 3.48Å; L233-V237 PolarHBondContact O-N 3.04Å; V237-Q239 PolarHBondContact O-N 2.98Å; V237-Q239 VanDerWaalsContact O-N 3.16Å; V237-T240 WeakPolarHBondContact CA-OG1 3.37Å; V237-T240 CarbonylContact O-C 3.54Å; V237-T240 WeakPolarHBondContact O-CA 3.33Å; V237-T240 PolarHBondContact O-N 2.93Å; V237-T240 PolarHBondContact O-OG1 2.88Å; V237-E241 HydrophobicContact CG1-CG 4.27Å; V237-E241 WeakPolarHBondContact O-CG 3.34Å; V237-E241 PolarHBondContact O-N 3.34Å
238G94Very high92.8Very high12 Ų1291.9 Ų91.912%0.12448%0.482CS..Hα-helixtrans-67.2-9.6176.400000115.4D234 I236 K242D234-G238 WeakPolarHBondContact O-CA 3.36Å; D234-G238 PolarHBondContact O-N 3Å; I236-G238 VanDerWaalsContact C-N 3.33Å; I236-G238 PolarHBondContact O-N 2.87Å; G238-K242 VanDerWaalsContact O-CD 3.3Å; G238-K242 WeakPolarHBondContact O-CD 3.42Å; G238-K242 VanDerWaalsContact O-CE 3.3Å; G238-K242 WeakPolarHBondContact O-CE 3.35Å; G238-K242 VanDerWaalsContact O-CG 3.3Å; G238-K242 WeakPolarHBondContact O-CG 3.48Å; G238-K242 PolarHBondContact O-NZ 3.03Å
239Q93.3Very high92Very high57 Ų5795 Ų9527%0.26649%0.486SS..Hα-helixtrans-82.6-45.3160.5-61.7-49.6-33.500110.7F235 I236 V237 E241 K242 Y243F235-Q239 HydrophobicContact CE1-CG 4.18Å; F235-Q239 VanDerWaalsContact CE2-NE2 3.32Å; F235-Q239 HydrophobicContact CZ-CG 4.36Å; F235-Q239 VanDerWaalsContact CZ-NE2 3.31Å; F235-Q239 WeakPolarHBondContact O-CG 3.17Å; F235-Q239 PolarHBondContact O-N 3.27Å; F235-Q239 VanDerWaalsContact O-N 3.09Å; I236-Q239 WeakPolarHBondContact O-CB 3.44Å; I236-Q239 PolarHBondContact O-N 3.03Å; V237-Q239 PolarHBondContact O-N 2.98Å; V237-Q239 VanDerWaalsContact O-N 3.16Å; Q239-E241 VanDerWaalsContact C-N 3.3Å; Q239-E241 PolarHBondContact O-N 3.11Å; Q239-K242 PolarHBondContact O-N 2.98Å; Q239-K242 VanDerWaalsContact O-N 3.15Å; Q239-Y243 HydrophobicContact CB-CD2 4.42Å; Q239-Y243 HydrophobicContact CB-CE2 4.07Å; Q239-Y243 WeakPolarHBondContact O-CD2 3.48Å; Q239-Y243 PolarHBondContact O-N 3.42Å
240T91.3Very high91Very high81 Ų8194.1 Ų94.150%0.49749%0.489SS..Hα-helixtrans-62.4-35179.862.40000113I236 V237 Y243 S244I236-T240 PolarHBondContact O-N 3.29Å; V237-T240 WeakPolarHBondContact CA-OG1 3.37Å; V237-T240 CarbonylContact O-C 3.54Å; V237-T240 WeakPolarHBondContact O-CA 3.33Å; V237-T240 PolarHBondContact O-N 2.93Å; V237-T240 PolarHBondContact O-OG1 2.88Å; T240-Y243 PolarHBondContact O-N 3.44Å; T240-S244 WeakPolarHBondContact O-CB 3.46Å; T240-S244 PolarHBondContact O-N 2.71Å
241E93.4Very high89.9Confident115 Ų11597.8 Ų97.854%0.53751%0.507SS..Hα-helixtrans-60.5-48.9171.2-70.5178.1152.900111.4V237 Q239 Y243 S244 D245V237-E241 HydrophobicContact CG1-CG 4.27Å; V237-E241 WeakPolarHBondContact O-CG 3.34Å; V237-E241 PolarHBondContact O-N 3.34Å; Q239-E241 VanDerWaalsContact C-N 3.3Å; Q239-E241 PolarHBondContact O-N 3.11Å; E241-Y243 VanDerWaalsContact C-N 3.3Å; E241-Y243 PolarHBondContact O-N 2.8Å; E241-S244 CarbonylContact O-C 3.58Å; E241-S244 WeakPolarHBondContact O-CA 3.28Å; E241-S244 WeakPolarHBondContact O-CB 3.42Å; E241-S244 PolarHBondContact O-N 3.41Å; E241-D245 PolarHBondContact O-N 3Å
242K91Very high88.5Confident122 Ų12298.2 Ų98.253%0.5351%0.51SS..Hα-helixtrans-62.3-36.2178-66172.6-169.8115.40112.6G238 Q239 L246G238-K242 VanDerWaalsContact O-CD 3.3Å; G238-K242 WeakPolarHBondContact O-CD 3.42Å; G238-K242 VanDerWaalsContact O-CE 3.3Å; G238-K242 WeakPolarHBondContact O-CE 3.35Å; G238-K242 VanDerWaalsContact O-CG 3.3Å; G238-K242 WeakPolarHBondContact O-CG 3.48Å; G238-K242 PolarHBondContact O-NZ 3.03Å; Q239-K242 PolarHBondContact O-N 2.98Å; Q239-K242 VanDerWaalsContact O-N 3.15Å; K242-L246 WeakPolarHBondContact O-CB 3.44Å; K242-L246 PolarHBondContact O-N 3.27Å
243Y90.1Very high86.6Confident148 Ų148100.1 Ų100.158%0.5852%0.52SS*.Hα-helixtrans-69.4-37.9172.6-66-54.6000111.7Q239 T240 E241 L246 L247Q239-Y243 HydrophobicContact CB-CD2 4.42Å; Q239-Y243 HydrophobicContact CB-CE2 4.07Å; Q239-Y243 WeakPolarHBondContact O-CD2 3.48Å; Q239-Y243 PolarHBondContact O-N 3.42Å; T240-Y243 PolarHBondContact O-N 3.44Å; E241-Y243 VanDerWaalsContact C-N 3.3Å; E241-Y243 PolarHBondContact O-N 2.8Å; Y243-L246 PolarHBondContact O-N 2.91Å; Y243-L247 WeakPolarHBondContact O-CB 3.35Å; Y243-L247 WeakPolarHBondContact O-CD1 3.27Å; Y243-L247 WeakPolarHBondContact O-CG 3.45Å; Y243-L247 PolarHBondContact O-N 2.76Å
244S92.1Very high84.1Confident70 Ų70100.6 Ų100.649%0.4953%0.529SS..Hα-helixtrans-64.8-43.6174.5-169.60000112.5T240 E241 L247 S248T240-S244 WeakPolarHBondContact O-CB 3.46Å; T240-S244 PolarHBondContact O-N 2.71Å; E241-S244 CarbonylContact O-C 3.58Å; E241-S244 WeakPolarHBondContact O-CA 3.28Å; E241-S244 WeakPolarHBondContact O-CB 3.42Å; E241-S244 PolarHBondContact O-N 3.41Å; S244-L247 PolarHBondContact O-N 2.75Å; S244-S248 WeakPolarHBondContact O-CB 3.34Å; S244-S248 PolarHBondContact O-N 2.93Å; S244-S248 PolarHBondContact O-OG 3.05Å
245D88.6Confident81.8Confident90 Ų90102.2 Ų102.248%0.48155%0.545SS..Hα-helixtrans-61.8-43.4174.2-79-14.8000111.4E241 S248 Q249E241-D245 PolarHBondContact O-N 3Å; D245-S248 WeakPolarHBondContact CA-OG 3.44Å; D245-S248 PolarHBondContact O-N 3.42Å; D245-S248 PolarHBondContact O-OG 3.26Å; D245-Q249 VanDerWaalsContact O-CB 3.28Å; D245-Q249 WeakPolarHBondContact O-CB 3.21Å; D245-Q249 VanDerWaalsContact O-CG 3.26Å; D245-Q249 WeakPolarHBondContact O-CG 3.34Å; D245-Q249 PolarHBondContact O-N 3.38Å
246L86.3Confident78.9Confident115 Ų115100.4 Ų100.460%0.60255%0.553SS**Hα-helixtrans-66.9-40.7177.5-174.861.9000112K242 Y243 S250K242-L246 WeakPolarHBondContact O-CB 3.44Å; K242-L246 PolarHBondContact O-N 3.27Å; Y243-L246 PolarHBondContact O-N 2.91Å; L246-S250 VanDerWaalsContact O-CB 3.27Å; L246-S250 WeakPolarHBondContact O-CB 3.43Å; L246-S250 PolarHBondContact O-N 2.95Å
247L85.9Confident76.2Confident127 Ų127101.7 Ų101.767%0.66557%0.569SS**Hα-helixtrans-65.9-43.2175.6-74.7167.5000111.9Y243 S244 S250 L251Y243-L247 WeakPolarHBondContact O-CB 3.35Å; Y243-L247 WeakPolarHBondContact O-CD1 3.27Å; Y243-L247 WeakPolarHBondContact O-CG 3.45Å; Y243-L247 PolarHBondContact O-N 2.76Å; S244-L247 PolarHBondContact O-N 2.75Å; L247-S250 WeakPolarHBondContact O-CB 3.25Å; L247-S250 PolarHBondContact O-N 3.42Å; L247-L251 PolarHBondContact O-N 3.47Å
248S83.8Confident73.6Confident44 Ų44104.6 Ų104.631%0.30859%0.592SS.*Hα-helixtrans-74.8-33.2179.960.20000112.7S244 D245 L251 N252S244-S248 WeakPolarHBondContact O-CB 3.34Å; S244-S248 PolarHBondContact O-N 2.93Å; S244-S248 PolarHBondContact O-OG 3.05Å; D245-S248 WeakPolarHBondContact CA-OG 3.44Å; D245-S248 PolarHBondContact O-N 3.42Å; D245-S248 PolarHBondContact O-OG 3.26Å; S248-L251 PolarHBondContact O-N 3.08Å; S248-N252 VanDerWaalsContact O-CB 3.32Å; S248-N252 WeakPolarHBondContact O-CB 3.39Å; S248-N252 PolarHBondContact O-N 2.88Å; S248-N252 PolarHBondContact O-ND2 3.39Å
249Q80Confident70.9Confident127 Ų127113.6 Ų113.659%0.59363%0.628SS**Hα-helixtrans-63.3-41.6166.6-75.8179.643.100111.5D245 L251 N252 Q253D245-Q249 VanDerWaalsContact O-CB 3.28Å; D245-Q249 WeakPolarHBondContact O-CB 3.21Å; D245-Q249 VanDerWaalsContact O-CG 3.26Å; D245-Q249 WeakPolarHBondContact O-CG 3.34Å; D245-Q249 PolarHBondContact O-N 3.38Å; Q249-L251 VanDerWaalsContact C-N 3.26Å; Q249-L251 PolarHBondContact O-N 2.86Å; Q249-N252 PolarHBondContact O-N 3.34Å; Q249-Q253 PolarHBondContact O-N 3.06Å
250S74.3Confident68.5Low87 Ų87115.9 Ų115.961%0.60866%0.657SS**Hα-helixtrans-62.4-32.2174.5-170.30000112.7L246 L247L246-S250 VanDerWaalsContact O-CB 3.27Å; L246-S250 WeakPolarHBondContact O-CB 3.43Å; L246-S250 PolarHBondContact O-N 2.95Å; L247-S250 WeakPolarHBondContact O-CB 3.25Å; L247-S250 PolarHBondContact O-N 3.42Å
251L73.4Confident65.9Low153 Ų153115.9 Ų115.980%0.80167%0.672SS**Hα-helixtrans-80.2-29.2177.5-150.875.8000113.6L247 S248 Q249L247-L251 PolarHBondContact O-N 3.47Å; S248-L251 PolarHBondContact O-N 3.08Å; Q249-L251 VanDerWaalsContact C-N 3.26Å; Q249-L251 PolarHBondContact O-N 2.86Å
252N66.4Low63.5Low132 Ų132116.1 Ų116.171%0.70669%0.687SS**SBendtrans-91.92.5-176.8-73.6-48.6000114.4S248 Q249S248-N252 VanDerWaalsContact O-CB 3.32Å; S248-N252 WeakPolarHBondContact O-CB 3.39Å; S248-N252 PolarHBondContact O-N 2.88Å; S248-N252 PolarHBondContact O-ND2 3.39Å; Q249-N252 PolarHBondContact O-N 3.34Å
253Q54.8Low61.3Low152 Ų152115.1 Ų115.171%0.7170%0.695SS**  trans-72.1127174.5-80.6-171.68.200111.9Q249Q249-Q253 PolarHBondContact O-N 3.06Å
254P44.3Very low59.6Low109 Ų109113.6 Ų113.671%0.70870%0.703SS**  trans-67.4146.4168.129.2-33.6000110.6A256P254-A256 PolarHBondContact O-N 3.29Å
255P46.7Very low56.8Low138 Ų138115 Ų11590%0.89671%0.713SS**  trans-75.6111.5-160.727.7-35.7000114.2
256A36Very low54.7Low88 Ų88119.2 Ų119.273%0.72773%0.734SS**  trans-136.172.5174.300000113.7P254P254-A256 PolarHBondContact O-N 3.29Å
257S38.7Very low52.1Low108 Ų108117 Ų11776%0.75574%0.739SS**  trans56.7108.6152.4600000121.7
258S41.8Very low49.9Very low121 Ų121116.4 Ų116.485%0.84675%0.745SS**  trans72.415315080.70000117.9
259K35.9Very low48.4Very low201 Ų201119.6 Ų119.687%0.87477%0.768SS**  cis-144.615116.8-169.3170.9180175.80111.8
260A43.8Very low46.5Very low106 Ų106119.3 Ų119.388%0.87678%0.78SS**  trans-75.9150.9-173.100000114.8
261G36.7Very low44.9Very low80 Ų80120 Ų12083%0.82579%0.79SS**  trans-161.985.6178.400000112.2
262S42.8Very low43.2Very low121 Ų121117.7 Ų117.785%0.84679%0.793SS**  trans-49.7146.6-175.2-169.20000117
263S44.5Very low41.7Very low101 Ų101116.9 Ų116.971%0.70680%0.798SS**  trans-63.2171.6155.6-370000111.5
264P55.8Low41.2Very low115 Ų115114.8 Ų114.875%0.74780%0.8SS**  -157.2165.180.744.2-24.4000119.3
265C33.2Very low41.5Very low101 Ų101115.3 Ų115.368%0.68280%0.804SS**  trans45.1125.7143.968.50000126.5
266L43.2Very low42Very low178 Ų178114.2 Ų114.293%0.93280%0.797SS**  68.8147.9123.8-61.9172.2000123.6
267G31.5Very low42.9Very low69 Ų69115.4 Ų115.471%0.71180%0.797SS**  trans123.190.2168.600000113
268S40.4Very low43.5Very low113 Ų113116.4 Ų116.479%0.7980%0.801SS**  6394.268.9-62.10000116.4
269S51.4Low43.4Very low111 Ų111117.6 Ų117.678%0.77680%0.803SS**  trans41.4127.213660.80000122
270S41.3Very low43.6Very low122 Ų122113.7 Ų113.785%0.85380%0.801SS**  trans-166.7123.1139-86.40000115.7
271A41.1Very low43.6Very low100 Ų100119.3 Ų119.383%0.82680%0.799SS**  trans62.7158.8134.400000123.9
272A36.2Very low43.8Very low105 Ų105122.9 Ų122.987%0.86880%0.799SS**  trans69.8134.817300000117.1
273S36.3Very low43.6Very low116 Ų116123.8 Ų123.881%0.81179%0.794SS**  cis-153149.4-8-176.40000110.8
274S43.5Very low43.7Very low107 Ų107126.3 Ų126.375%0.74880%0.799SS**  trans-69.7161167-46.90000111.8
275P50.9Low43.4Very low121 Ų121130.3 Ų130.379%0.78681%0.808SS**  -129.7155.1110.236.9-30.6000113.5
276P58.2Low44.4Very low114 Ų114133.6 Ų133.674%0.7482%0.819SS**PPolyproline II helixtrans-86.8159.1179.635.6-35.6000113.3
277P54.2Low44.6Very low113 Ų113128.1 Ų128.173%0.73481%0.806SS**PPolyproline II helixtrans-75154.6167.233.3-35000111.7
278P50.3Low45.5Very low130 Ų130131.9 Ų131.984%0.84481%0.809SS**PPolyproline II helixtrans-75.5140.9172.831.9-33.8000111.4
279V40.7Very low45.7Very low145 Ų145135 Ų13588%0.87981%0.809SS**PPolyproline II helixtrans-97.3132.1165.9-73.70000110.2
280S40.7Very low45.7Very low119 Ų119136.4 Ų136.483%0.83280%0.804SS**  trans-122.9114.5164.551.50000108.3
281R42.9Very low45.9Very low224 Ų224135.3 Ų135.385%0.84579%0.794SS**  trans-76.4-178172.4-85.2-179.7149.8124.5-5.5111.4
282L40.3Very low46Very low156 Ų156137.6 Ų137.682%0.81779%0.787SS**  trans92.3107.1-169.8-56.4177.9000110.5
283D38.5Very low46.5Very low140 Ų140141.9 Ų141.975%0.74979%0.789SS**  cis-139.5165-1.8-97.2-89.8000110.8
284D47.3Very low47Very low153 Ų153142.5 Ų142.582%0.81878%0.779SS**  trans-84.2115.6172.8-65.8-112000109.5
285E49.3Very low47.5Very low199 Ų199146 Ų14693%0.9378%0.784SS**  trans-123.9130.2156.6-160.7170.3177.700107.8
286D53.6Low47.4Very low171 Ų171148.4 Ų148.491%0.91479%0.785SS**  trans-107.7143.7-160.2-169.811.9000111.3
287G48.4Very low47.1Very low63 Ų63151.3 Ų151.365%0.64979%0.788SS**  trans120.683.1179.100000115.4F289G287-F289 PolarHBondContact O-N 3.33Å
288D49.3Very low47Very low147 Ų147152.3 Ų152.379%0.78679%0.787SS**  trans-61.397.7156.7-105-59.2000109.1Q290D288-Q290 PolarHBondContact OD1-NE2 3.16Å
289F45Very low47.2Very low180 Ų180150.8 Ų150.879%0.78977%0.772SS**  trans-99.989.2156.7-171.4-95.4000108.4G287 P291G287-F289 PolarHBondContact O-N 3.33Å; F289-P291 HydrophobicContact CE1-CG 4.47Å; F289-P291 WeakPolarHBondContact O-CD 3.5Å
290Q51.5Low47.9Very low140 Ų140150.8 Ų150.865%0.65476%0.763SS**  trans-77.8117.8168.4-64.9-179.84.900107.7D288 Q292D288-Q290 PolarHBondContact OD1-NE2 3.16Å; Q290-Q292 PolarHBondContact O-N 3.06Å
291P46Very low48.6Very low99 Ų99152.2 Ų152.264%0.64376%0.756SS**  trans-66.9107.5163.4-8.926.3000106.2F289 E293F289-P291 HydrophobicContact CE1-CG 4.47Å; F289-P291 WeakPolarHBondContact O-CD 3.5Å; P291-E293 PolarHBondContact O-N 3.49Å
292Q42.6Very low49.5Very low148 Ų148145.3 Ų145.369%0.69274%0.739SS**  trans-61.9124159.2-112.4157.1-10800106.1Q290 E294Q290-Q292 PolarHBondContact O-N 3.06Å; Q292-E294 PolarHBondContact NE2-OE1 2.86Å; Q292-E294 PolarHBondContact O-N 2.92Å
293E47.9Very low50.2Low195 Ų195143 Ų14391%0.91173%0.726SS**  trans-73.656.3168-66.3178.3157.700108.7P291 E295P291-E293 PolarHBondContact O-N 3.49Å; E293-E295 PolarHBondContact O-N 3.16Å
294E46Very low51.4Low128 Ų128142.1 Ų142.160%0.59872%0.717SS**  trans-76.3101.2154.2-83.4168.7-127.400105.3Q292 E296Q292-E294 PolarHBondContact NE2-OE1 2.86Å; Q292-E294 PolarHBondContact O-N 2.92Å; E294-E296 PolarHBondContact O-N 3.48Å
295E52.8Low52.2Low182 Ų182138.2 Ų138.285%0.8570%0.699SS**  trans-64.877.7159.4-67.4176.8144.700106.8E293 E297E293-E295 PolarHBondContact O-N 3.16Å; E295-E297 PolarHBondContact O-N 3.14Å
296E50Low52.9Low171 Ų171135.5 Ų135.580%0.79969%0.686SS**  trans-60.484.8151.2-70.9-175.5163.200105.8E294 D298E294-E296 PolarHBondContact O-N 3.48Å; E296-D298 VanDerWaalsContact C-N 3.27Å; E296-D298 PolarHBondContact O-N 2.84Å
297E51Low53.4Low174 Ų174131.2 Ų131.281%0.81366%0.661SS**  trans-57.3100.2156.2-69.6-172.3126.700105.6E295 D299E295-E297 PolarHBondContact O-N 3.14Å; E297-D299 PolarHBondContact O-N 3.27Å
298D52Low54Low134 Ų134133.5 Ų133.572%0.71766%0.655SS**  trans-52.9101.3174.4-170.48.1000107.7E296 E300E296-D298 VanDerWaalsContact C-N 3.27Å; E296-D298 PolarHBondContact O-N 2.84Å; D298-E300 VanDerWaalsContact C-N 3.33Å; D298-E300 PolarHBondContact O-N 3.17Å
299D55.8Low54.5Low98 Ų98134.3 Ų134.352%0.52465%0.654SS.*  trans-80.984.1-16763-3.3000109.3E297 E301 T302E297-D299 PolarHBondContact O-N 3.27Å; D299-E301 PolarHBondContact O-N 3.05Å; D299-T302 VanDerWaalsContact CG-OG1 3.28Å; D299-T302 WeakPolarHBondContact O-CB 3.29Å; D299-T302 PolarHBondContact O-N 3.1Å; D299-T302 PolarHBondContact O-OG1 2.9Å; D299-T302 PolarHBondContact OD1-OG1 2.62Å; D299-T302 PolarHBondContact OD2-OG1 2.87Å
300E54.7Low55.2Low146 Ų146133.4 Ų133.468%0.68265%0.652SS**THydrogen-bonded Turntrans-53.3-18.8179.9-69.3-171.7-17000112.9D298 T302 I303 E304D298-E300 VanDerWaalsContact C-N 3.33Å; D298-E300 PolarHBondContact O-N 3.17Å; E300-T302 PolarHBondContact O-N 3.23Å; E300-I303 PolarHBondContact O-N 2.88Å; E300-E304 PolarHBondContact O-N 2.86Å
301E55.1Low55.6Low148 Ų148128.9 Ų128.969%0.69264%0.643SS**Hα-helixtrans-51.7-38.1164.7-74.3-161.4156.100112.9D299 I303 E304 V305D299-E301 PolarHBondContact O-N 3.05Å; E301-I303 VanDerWaalsContact C-N 3.31Å; E301-I303 PolarHBondContact O-N 3.2Å; E301-E304 PolarHBondContact O-N 3.41Å; E301-V305 WeakPolarHBondContact O-CB 3.27Å; E301-V305 WeakPolarHBondContact O-CG2 3.46Å; E301-V305 PolarHBondContact O-N 3.2Å
302T61.5Low56.4Low79 Ų79127.6 Ų127.649%0.48563%0.63SS.*Hα-helixtrans-59.3-40.9178-680000111.6D299 E300 E306D299-T302 VanDerWaalsContact CG-OG1 3.28Å; D299-T302 WeakPolarHBondContact O-CB 3.29Å; D299-T302 PolarHBondContact O-N 3.1Å; D299-T302 PolarHBondContact O-OG1 2.9Å; D299-T302 PolarHBondContact OD1-OG1 2.62Å; D299-T302 PolarHBondContact OD2-OG1 2.87Å; E300-T302 PolarHBondContact O-N 3.23Å; T302-E306 PolarHBondContact O-N 3.36Å; T302-E306 VanDerWaalsContact O-N 3.16Å
303I56.3Low58.1Low109 Ų109122.3 Ų122.356%0.55961%0.607SS**Hα-helixtrans-76.5-42.9179.6-40.7177.4000110.3E300 E301 V305 E306 E307E300-I303 PolarHBondContact O-N 2.88Å; E301-I303 VanDerWaalsContact C-N 3.31Å; E301-I303 PolarHBondContact O-N 3.2Å; I303-V305 VanDerWaalsContact C-N 3.31Å; I303-V305 PolarHBondContact O-N 3Å; I303-E306 PolarHBondContact O-N 3.42Å; I303-E307 PolarHBondContact O-N 3Å
304E62.4Low59.6Low120 Ų120115.6 Ų115.656%0.56159%0.585SS**Hα-helixtrans-64.7-36.1178.7-146.9-170.6-173.800111.6E300 E301 Q308E300-E304 PolarHBondContact O-N 2.86Å; E301-E304 PolarHBondContact O-N 3.41Å; E304-Q308 WeakPolarHBondContact O-CB 3.42Å; E304-Q308 WeakPolarHBondContact O-CG 3.5Å; E304-Q308 PolarHBondContact O-N 3.17Å; E304-Q308 VanDerWaalsContact O-N 3.09Å; E304-Q308 PolarHBondContact O-NE2 2.83Å
305V64.4Low61.4Low72 Ų72114.9 Ų114.944%0.43658%0.582SS.*Hα-helixtrans-70.5-35.5174.51680000111.9E301 I303 Q309E301-V305 WeakPolarHBondContact O-CB 3.27Å; E301-V305 WeakPolarHBondContact O-CG2 3.46Å; E301-V305 PolarHBondContact O-N 3.2Å; I303-V305 VanDerWaalsContact C-N 3.31Å; I303-V305 PolarHBondContact O-N 3Å; V305-Q309 WeakPolarHBondContact O-CB 3.47Å; V305-Q309 PolarHBondContact O-N 2.92Å
306E64.6Low63Low141 Ų141108.8 Ų108.866%0.65956%0.557SS**Hα-helixtrans-68.4-44.4176-168.6162.7-136.400111.4T302 I303 Q308 Q309 E310T302-E306 PolarHBondContact O-N 3.36Å; T302-E306 VanDerWaalsContact O-N 3.16Å; I303-E306 PolarHBondContact O-N 3.42Å; E306-Q308 PolarHBondContact O-N 3.23Å; E306-Q309 PolarHBondContact O-N 3.48Å; E306-E310 PolarHBondContact O-N 2.85Å
307E64.3Low64.7Low82 Ų82105 Ų10538%0.38354%0.539SS..Hα-helixtrans-61.7-41.3175.2-169.1-178.4-110.500112.1I303 Q309 G311 N312I303-E307 PolarHBondContact O-N 3Å; E307-Q309 PolarHBondContact O-N 3.2Å; E307-G311 PolarHBondContact O-N 3.2Å; E307-N312 HydrophobicContact CG-CB 4.47Å; E307-N312 PolarHBondContact O-N 3.4Å
308Q61.1Low66.6Low110 Ų110105.4 Ų105.451%0.51453%0.533SS..Hα-helixtrans-65.3-24.2173.5-72.7169.640.700113.3E304 E306 D313E304-Q308 WeakPolarHBondContact O-CB 3.42Å; E304-Q308 WeakPolarHBondContact O-CG 3.5Å; E304-Q308 PolarHBondContact O-N 3.17Å; E304-Q308 VanDerWaalsContact O-N 3.09Å; E304-Q308 PolarHBondContact O-NE2 2.83Å; E306-Q308 PolarHBondContact O-N 3.23Å; Q308-D313 HydrophobicContact CG-CB 4.47Å
309Q58.9Low68.4Low164 Ų164104.5 Ų104.577%0.76652%0.52SS*.Hα-helixtrans-96.6-25.3-177.1-160.1153.2129.600113.4V305 E306 E307V305-Q309 WeakPolarHBondContact O-CB 3.47Å; V305-Q309 PolarHBondContact O-N 2.92Å; E306-Q309 PolarHBondContact O-N 3.48Å; E307-Q309 PolarHBondContact O-N 3.2Å
310E60.5Low70Confident162 Ų162104.9 Ų104.976%0.75752%0.518SS*.Hα-helixtrans-75.4-14.2166.1-165.4163.9-128.500112.1E306E306-E310 PolarHBondContact O-N 2.85Å
311G59.7Low71.6Confident44 Ų44102.1 Ų102.145%0.45451%0.507SS..THydrogen-bonded Turntrans80.224.1176.100000113.5E307E307-G311 PolarHBondContact O-N 3.2Å
312N61.9Low73.5Confident72 Ų72101.5 Ų101.539%0.38550%0.504SS..  trans-109.124.4-177.1-160.221.2000111.6E307E307-N312 HydrophobicContact CG-CB 4.47Å; E307-N312 PolarHBondContact O-N 3.4Å
313D79.9Confident74.9Confident37 Ų37103.6 Ų103.620%0.19851%0.512CS..  trans-60.1153.4-170.370.4-91000113.3Q308 E315 T316 Q317Q308-D313 HydrophobicContact CG-CB 4.47Å; D313-E315 PolarHBondContact O-N 3.2Å; D313-E315 VanDerWaalsContact OD2-CA 3.3Å; D313-E315 WeakPolarHBondContact OD2-CA 3.23Å; D313-E315 WeakPolarHBondContact OD2-CB 3.32Å; D313-E315 PolarHBondContact OD2-N 3.29Å; D313-T316 PolarHBondContact O-N 3.43Å; D313-T316 WeakPolarHBondContact OD1-CB 3.4Å; D313-T316 PolarHBondContact OD1-OG1 3.49Å; D313-T316 PolarHBondContact OD2-N 3.21Å; D313-T316 PolarHBondContact OD2-OG1 3.37Å; D313-Q317 PolarHBondContact O-N 3.32Å
314A78.6Confident76.4Confident54 Ų54103.1 Ų103.145%0.44651%0.51SS..THydrogen-bonded Turntrans-61.3-10.2-178.300000115.4R318A314-R318 WeakPolarHBondContact O-CD 3.28Å; A314-R318 WeakPolarHBondContact O-CG 3.26Å; A314-R318 PolarHBondContact O-NE 3.12Å; A314-R318 VanDerWaalsContact O-NE 3.17Å
315E83.6Confident77.7Confident114 Ų114104.2 Ų104.253%0.53351%0.509SS..THydrogen-bonded Turntrans-89.3-42.3169.8-154.7-165.8-166.100111.1D313 R318 R319D313-E315 PolarHBondContact O-N 3.2Å; D313-E315 VanDerWaalsContact OD2-CA 3.3Å; D313-E315 WeakPolarHBondContact OD2-CA 3.23Å; D313-E315 WeakPolarHBondContact OD2-CB 3.32Å; D313-E315 PolarHBondContact OD2-N 3.29Å; E315-R318 WeakPolarHBondContact O-CB 3.43Å; E315-R318 PolarHBondContact O-N 2.73Å; E315-R319 VanDerWaalsContact CD-NH1 3.29Å; E315-R319 WeakPolarHBondContact O-CG 3.45Å; E315-R319 PolarHBondContact O-N 3.25Å; E315-R319 IonicContact OE1-CZ 3.12Å; E315-R319 IonicContact OE1-NH2 3Å; E315-R319 PolarHBondContact OE1-NH2 3.13Å; E315-R319 IonicContact OE2-CZ 2.63Å; E315-R319 IonicContact OE2-NH1 2.76Å; E315-R319 PolarHBondContact OE2-NH1 3Å; E315-R319 IonicContact OE2-NH2 3.87Å; E315-R319 PolarHBondContact OE2-NH2 3.35Å
316T86.4Confident78.8Confident54 Ų54106.4 Ų106.433%0.33151%0.514SS..Hα-helixtrans-62.6-44.2173.1-65.90000112D313 R318 R319 E320D313-T316 PolarHBondContact O-N 3.43Å; D313-T316 WeakPolarHBondContact OD1-CB 3.4Å; D313-T316 PolarHBondContact OD1-OG1 3.49Å; D313-T316 PolarHBondContact OD2-N 3.21Å; D313-T316 PolarHBondContact OD2-OG1 3.37Å; T316-R318 VanDerWaalsContact C-N 3.28Å; T316-R318 PolarHBondContact O-N 3.16Å; T316-R319 WeakPolarHBondContact O-CB 3.38Å; T316-R319 PolarHBondContact O-N 3.18Å; T316-R319 VanDerWaalsContact O-N 3.11Å; T316-E320 PolarHBondContact O-N 2.94Å
317Q85.5Confident79.9Confident90 Ų90104.2 Ų104.242%0.42150%0.504SS..Hα-helixtrans-61.9-35.5174.5-169.3-178.5100.300112.1D313 E320 I321D313-Q317 PolarHBondContact O-N 3.32Å; Q317-E320 PolarHBondContact O-N 3.45Å; Q317-I321 HydrophobicContact CG-CD1 4.22Å; Q317-I321 WeakPolarHBondContact O-CD1 3.18Å; Q317-I321 VanDerWaalsContact O-CG1 3.28Å; Q317-I321 WeakPolarHBondContact O-CG1 3.43Å; Q317-I321 PolarHBondContact O-N 2.82Å
318R90.7Very high81Confident183 Ų183103.6 Ų103.669%0.69152%0.52SS*.Hα-helixtrans-66.3-41.3173.1-73.5168.2-168.3-92.5-2.4112A314 E315 T316 I321 E322A314-R318 WeakPolarHBondContact O-CD 3.28Å; A314-R318 WeakPolarHBondContact O-CG 3.26Å; A314-R318 PolarHBondContact O-NE 3.12Å; A314-R318 VanDerWaalsContact O-NE 3.17Å; E315-R318 WeakPolarHBondContact O-CB 3.43Å; E315-R318 PolarHBondContact O-N 2.73Å; T316-R318 VanDerWaalsContact C-N 3.28Å; T316-R318 PolarHBondContact O-N 3.16Å; R318-I321 PolarHBondContact O-N 2.99Å; R318-E322 WeakPolarHBondContact O-CB 3.38Å; R318-E322 PolarHBondContact O-N 2.89Å
319R90.1Very high82.3Confident116 Ų116104.7 Ų104.744%0.43853%0.525SS..Hα-helixtrans-63.4-40.1174.8-70170.9179.2117.42.7111.9E315 T316 E322 L323E315-R319 VanDerWaalsContact CD-NH1 3.29Å; E315-R319 WeakPolarHBondContact O-CG 3.45Å; E315-R319 PolarHBondContact O-N 3.25Å; E315-R319 IonicContact OE1-CZ 3.12Å; E315-R319 IonicContact OE1-NH2 3Å; E315-R319 PolarHBondContact OE1-NH2 3.13Å; E315-R319 IonicContact OE2-CZ 2.63Å; E315-R319 IonicContact OE2-NH1 2.76Å; E315-R319 PolarHBondContact OE2-NH1 3Å; E315-R319 IonicContact OE2-NH2 3.87Å; E315-R319 PolarHBondContact OE2-NH2 3.35Å; T316-R319 WeakPolarHBondContact O-CB 3.38Å; T316-R319 PolarHBondContact O-N 3.18Å; T316-R319 VanDerWaalsContact O-N 3.11Å; R319-E322 PolarHBondContact O-N 3.32Å; R319-L323 WeakPolarHBondContact O-CB 3.48Å; R319-L323 WeakPolarHBondContact O-CG 3.15Å; R319-L323 PolarHBondContact O-N 3.45Å
320E89.9Confident83.7Confident106 Ų10699.8 Ų99.850%0.49550%0.503SS..Hα-helixtrans-62.2-48.6175.1-173.4-175.4-172.600111T316 Q317 E322 L323 L324T316-E320 PolarHBondContact O-N 2.94Å; Q317-E320 PolarHBondContact O-N 3.45Å; E320-E322 VanDerWaalsContact C-N 3.29Å; E320-E322 PolarHBondContact O-N 2.73Å; E320-L323 PolarHBondContact O-N 2.76Å; E320-L324 HydrophobicContact CG-CD1 4.04Å; E320-L324 HydrophobicContact CG-CG 4.46Å; E320-L324 WeakPolarHBondContact O-CB 3.32Å; E320-L324 WeakPolarHBondContact O-CG 3.34Å; E320-L324 PolarHBondContact O-N 2.63Å
321I89.3Confident84.9Confident88 Ų8895.5 Ų95.545%0.45149%0.49SS..Hα-helixtrans-60.7-39176.7-68.1164.7000111.4Q317 R318 R325Q317-I321 HydrophobicContact CG-CD1 4.22Å; Q317-I321 WeakPolarHBondContact O-CD1 3.18Å; Q317-I321 VanDerWaalsContact O-CG1 3.28Å; Q317-I321 WeakPolarHBondContact O-CG1 3.43Å; Q317-I321 PolarHBondContact O-N 2.82Å; R318-I321 PolarHBondContact O-N 2.99Å; I321-R325 WeakPolarHBondContact O-CB 3.47Å; I321-R325 WeakPolarHBondContact O-CG 3.44Å; I321-R325 PolarHBondContact O-N 3.18Å
322E93.1Very high86Confident134 Ų13498.6 Ų98.663%0.62650%0.495SS*.Hα-helixtrans-70.6-37.5177-170.5157.7-120.400112.6R318 R319 E320 R325 H326R318-E322 WeakPolarHBondContact O-CB 3.38Å; R318-E322 PolarHBondContact O-N 2.89Å; R319-E322 PolarHBondContact O-N 3.32Å; E320-E322 VanDerWaalsContact C-N 3.29Å; E320-E322 PolarHBondContact O-N 2.73Å; E322-R325 PolarHBondContact O-N 2.71Å; E322-H326 WeakPolarHBondContact O-CB 3.39Å; E322-H326 PolarHBondContact O-N 3.45Å
323L91.6Very high87.2Confident124 Ų124101.9 Ų101.965%0.64951%0.508SS*.Hα-helixtrans-63.1-48.2171.6-82.3162.3000112R319 E320 R325 H326 E327R319-L323 WeakPolarHBondContact O-CB 3.48Å; R319-L323 WeakPolarHBondContact O-CG 3.15Å; R319-L323 PolarHBondContact O-N 3.45Å; E320-L323 PolarHBondContact O-N 2.76Å; L323-R325 VanDerWaalsContact C-N 3.3Å; L323-R325 PolarHBondContact O-N 2.85Å; L323-H326 PolarHBondContact O-N 2.84Å; L323-E327 WeakPolarHBondContact O-CB 3.25Å; L323-E327 PolarHBondContact O-N 3.12Å
324L88.3Confident87.5Confident99 Ų99103.5 Ų103.552%0.51852%0.515SS..Hα-helixtrans-63.5-36.1178.2-71.4171.2000112E320 G328E320-L324 HydrophobicContact CG-CD1 4.04Å; E320-L324 HydrophobicContact CG-CG 4.46Å; E320-L324 WeakPolarHBondContact O-CB 3.32Å; E320-L324 WeakPolarHBondContact O-CG 3.34Å; E320-L324 PolarHBondContact O-N 2.63Å; L324-G328 PolarHBondContact O-N 2.82Å
325R89.1Confident87.7Confident143 Ų143103.4 Ų103.454%0.5451%0.507SS..Hα-helixtrans-65.3-47.8171.2-82.1-168.359.3-131.1-20.6112I321 E322 L323 E327 G328 E329I321-R325 WeakPolarHBondContact O-CB 3.47Å; I321-R325 WeakPolarHBondContact O-CG 3.44Å; I321-R325 PolarHBondContact O-N 3.18Å; E322-R325 PolarHBondContact O-N 2.71Å; L323-R325 VanDerWaalsContact C-N 3.3Å; L323-R325 PolarHBondContact O-N 2.85Å; R325-E327 VanDerWaalsContact C-N 3.3Å; R325-E327 PolarHBondContact O-N 3.36Å; R325-G328 CarbonylContact O-C 3.52Å; R325-G328 PolarHBondContact O-N 3.29Å; R325-E329 IonicContact CZ-OE1 3.21Å; R325-E329 IonicContact NE-OE1 3.16Å; R325-E329 IonicContact NH2-OE1 2.63Å; R325-E329 PolarHBondContact NH2-OE1 3.45Å; R325-E329 WeakPolarHBondContact O-CG 3.21Å; R325-E329 PolarHBondContact O-N 2.87Å
326H88.4Confident87.6Confident117 Ų117101.7 Ų101.754%0.54250%0.501SS..Hα-helixtrans-61.8-38.5177.5-172.3-54.7000111.5E322 L323 E329 L330E322-H326 WeakPolarHBondContact O-CB 3.39Å; E322-H326 PolarHBondContact O-N 3.45Å; L323-H326 PolarHBondContact O-N 2.84Å; H326-E329 CarbonylContact O-C 3.52Å; H326-E329 PolarHBondContact O-N 2.89Å; H326-L330 WeakPolarHBondContact O-CG 3.29Å; H326-L330 PolarHBondContact O-N 3.38Å
327E87.2Confident87.5Confident95 Ų95108.2 Ų108.244%0.44452%0.519SS..Hα-helixtrans-64.8-40.9174.6-173.5174.3-174.400111.8L323 R325 E329 L330 L335L323-E327 WeakPolarHBondContact O-CB 3.25Å; L323-E327 PolarHBondContact O-N 3.12Å; R325-E327 VanDerWaalsContact C-N 3.3Å; R325-E327 PolarHBondContact O-N 3.36Å; E327-E329 PolarHBondContact O-N 3.15Å; E327-L330 WeakPolarHBondContact O-CB 3.39Å; E327-L330 PolarHBondContact O-N 3.02Å; E327-L335 HydrophobicContact CG-CD1 4.19Å; E327-L335 VanDerWaalsContact OE1-CD1 3.32Å; E327-L335 WeakPolarHBondContact OE1-CD1 3.42Å
328G87.9Confident87.3Confident69 Ų69108 Ų10871%0.71153%0.527SS*.Hα-helixtrans-67-17.5172.400000114.8L324 R325L324-G328 PolarHBondContact O-N 2.82Å; R325-G328 CarbonylContact O-C 3.52Å; R325-G328 PolarHBondContact O-N 3.29Å
329E88.7Confident86.9Confident133 Ų133102.8 Ų102.862%0.62151%0.513SS*.THydrogen-bonded Turntrans-95.7-2.4175.1-69.3170.4-150.500112.5R325 H326 E327R325-E329 IonicContact CZ-OE1 3.21Å; R325-E329 IonicContact NE-OE1 3.16Å; R325-E329 IonicContact NH2-OE1 2.63Å; R325-E329 PolarHBondContact NH2-OE1 3.45Å; R325-E329 WeakPolarHBondContact O-CG 3.21Å; R325-E329 PolarHBondContact O-N 2.87Å; H326-E329 CarbonylContact O-C 3.52Å; H326-E329 PolarHBondContact O-N 2.89Å; E327-E329 PolarHBondContact O-N 3.15Å
330L86.4Confident86.5Confident61 Ų61100.2 Ų100.232%0.31951%0.511SS..SBendtrans-78.6145.8175.9-73.7179.9000113H326 E327 E334H326-L330 WeakPolarHBondContact O-CG 3.29Å; H326-L330 PolarHBondContact O-N 3.38Å; E327-L330 WeakPolarHBondContact O-CB 3.39Å; E327-L330 PolarHBondContact O-N 3.02Å; L330-E334 HydrophobicContact CD1-CG 4.09Å; L330-E334 HydrophobicContact CD2-CG 4.12Å
331P86.4Confident85.6Confident72 Ų72100.2 Ų100.247%0.46852%0.52SS..  trans-68.4148.4170.729.7-33.6000111.3E333 E334 L335P331-E333 PolarHBondContact O-N 3.45Å; P331-E333 VanDerWaalsContact O-N 3.13Å; P331-E334 HydrophobicContact CG-CB 4.03Å; P331-E334 VanDerWaalsContact O-CB 3.32Å; P331-E334 WeakPolarHBondContact O-CB 3.44Å; P331-E334 PolarHBondContact O-N 3.37Å; P331-L335 PolarHBondContact O-N 2.85Å
332L83.3Confident84.7Confident109 Ų109103.9 Ų103.957%0.57154%0.535SS*.Hα-helixtrans-59.6-30.9-172.6-175.959.8000112.9E334 L335 L336L332-E334 VanDerWaalsContact C-N 3.3Å; L332-E334 PolarHBondContact O-N 2.84Å; L332-L335 PolarHBondContact O-N 3.03Å; L332-L336 HydrophobicContact CD1-CG 4.41Å; L332-L336 HydrophobicContact CG-CD1 4.04Å; L332-L336 HydrophobicContact CG-CG 4.39Å; L332-L336 WeakPolarHBondContact O-CB 3.45Å; L332-L336 VanDerWaalsContact O-CG 3.27Å; L332-L336 WeakPolarHBondContact O-CG 3.19Å; L332-L336 PolarHBondContact O-N 3.37Å
333E86.2Confident83.3Confident141 Ų141103.7 Ų103.766%0.65954%0.538SS*.Hα-helixtrans-65.3-30.4176.2-6470.5-156.800112.9P331 R337P331-E333 PolarHBondContact O-N 3.45Å; P331-E333 VanDerWaalsContact O-N 3.13Å; E333-R337 WeakPolarHBondContact O-CB 3.3Å; E333-R337 PolarHBondContact O-N 3.1Å
334E87Confident81.9Confident71 Ų71102.2 Ų102.233%0.33253%0.531SS..Hα-helixtrans-75.8-43.2175.8-167.484.3-9500110.4L330 P331 L332 R337 S338L330-E334 HydrophobicContact CD1-CG 4.09Å; L330-E334 HydrophobicContact CD2-CG 4.12Å; P331-E334 HydrophobicContact CG-CB 4.03Å; P331-E334 VanDerWaalsContact O-CB 3.32Å; P331-E334 WeakPolarHBondContact O-CB 3.44Å; P331-E334 PolarHBondContact O-N 3.37Å; L332-E334 VanDerWaalsContact C-N 3.3Å; L332-E334 PolarHBondContact O-N 2.84Å; E334-R337 WeakPolarHBondContact O-CA 3.38Å; E334-R337 WeakPolarHBondContact O-CB 3.25Å; E334-R337 PolarHBondContact O-N 2.74Å; E334-R337 IonicContact OE1-CZ 3.64Å; E334-R337 IonicContact OE1-NE 3.85Å; E334-R337 PolarHBondContact OE1-NE 3.43Å; E334-R337 IonicContact OE1-NH2 2.87Å; E334-R337 PolarHBondContact OE1-NH2 3.27Å; E334-S338 PolarHBondContact O-N 2.94Å; E334-S338 VanDerWaalsContact O-N 3.08Å
335L82.6Confident80.3Confident53 Ų53100.2 Ų100.228%0.27753%0.534SS..Hα-helixtrans-66.4-39.1177.2-174.262.1000112.2E327 P331 L332 R337 S338 L339E327-L335 HydrophobicContact CG-CD1 4.19Å; E327-L335 VanDerWaalsContact OE1-CD1 3.32Å; E327-L335 WeakPolarHBondContact OE1-CD1 3.42Å; P331-L335 PolarHBondContact O-N 2.85Å; L332-L335 PolarHBondContact O-N 3.03Å; L335-R337 PolarHBondContact O-N 2.97Å; L335-S338 PolarHBondContact O-N 3.32Å; L335-S338 PolarHBondContact O-OG 2.89Å; L335-L339 WeakPolarHBondContact O-CG 3.37Å; L335-L339 PolarHBondContact O-N 2.86Å
336L80.9Confident78.2Confident78 Ų7896 Ų9641%0.40853%0.534SS..Hα-helixtrans-65.7-21.3171.3-74171.3000112.9L332 L344L332-L336 HydrophobicContact CD1-CG 4.41Å; L332-L336 HydrophobicContact CG-CD1 4.04Å; L332-L336 HydrophobicContact CG-CG 4.39Å; L332-L336 WeakPolarHBondContact O-CB 3.45Å; L332-L336 VanDerWaalsContact O-CG 3.27Å; L332-L336 WeakPolarHBondContact O-CG 3.19Å; L332-L336 PolarHBondContact O-N 3.37Å; L336-L344 HydrophobicContact CB-CD2 4.36Å; L336-L344 HydrophobicContact CD2-CD1 4.39Å; L336-L344 HydrophobicContact CD2-CD2 4.46Å; L336-L344 HydrophobicContact CD2-CG 4.49Å; L336-L344 VanDerWaalsContact O-CD2 3.27Å; L336-L344 WeakPolarHBondContact O-CD2 3.45Å
337R85.8Confident76.2Confident191 Ų19196.5 Ų96.572%0.72155%0.548SS*.Hα-helixtrans-88.2-24.6178.9-171.2175.179.6116.8-4.6113.4E333 E334 L335E333-R337 WeakPolarHBondContact O-CB 3.3Å; E333-R337 PolarHBondContact O-N 3.1Å; E334-R337 WeakPolarHBondContact O-CA 3.38Å; E334-R337 WeakPolarHBondContact O-CB 3.25Å; E334-R337 PolarHBondContact O-N 2.74Å; E334-R337 IonicContact OE1-CZ 3.64Å; E334-R337 IonicContact OE1-NE 3.85Å; E334-R337 PolarHBondContact OE1-NE 3.43Å; E334-R337 IonicContact OE1-NH2 2.87Å; E334-R337 PolarHBondContact OE1-NH2 3.27Å; L335-R337 PolarHBondContact O-N 2.97Å
338S81.3Confident74.3Confident85 Ų85101.4 Ų101.459%0.59457%0.568SS**Hα-helixtrans-81.7-27.4174.864.80000113E334 L335E334-S338 PolarHBondContact O-N 2.94Å; E334-S338 VanDerWaalsContact O-N 3.08Å; L335-S338 PolarHBondContact O-N 3.32Å; L335-S338 PolarHBondContact O-OG 2.89Å
339L81.8Confident71.9Confident73 Ų73103.7 Ų103.738%0.38257%0.573SS.*SBendtrans-66.3142.3179.8-75.9167.2000113.1L335 L344L335-L339 WeakPolarHBondContact O-CG 3.37Å; L335-L339 PolarHBondContact O-N 2.86Å; L339-L344 HydrophobicContact CB-CD1 3.88Å; L339-L344 HydrophobicContact CD1-CD1 4.49Å
340P80.8Confident70.1Confident63 Ų63103.2 Ų103.241%0.40958%0.582SS.*  trans-55.4134178.4-28.435.1000113.5Q342 L343P340-Q342 PolarHBondContact O-N 2.99Å; P340-L343 PolarHBondContact O-N 3.36Å
341P71.5Confident67.5Low105 Ų105106.2 Ų106.268%0.68261%0.608SS**Hα-helixtrans-57.4-20.9-178-29.135.9000115.6L343 G345P341-L343 PolarHBondContact O-N 3.4Å; P341-G345 PolarHBondContact O-N 3.3Å
342Q71.1Confident65Low165 Ų165111.8 Ų111.877%0.77163%0.628SS**Hα-helixtrans-68.4-19.7174.2-60.495.65.900113.6P340P340-Q342 PolarHBondContact O-N 2.99Å
343L62.4Low62.6Low131 Ų131113.2 Ų113.269%0.68664%0.641SS**Hα-helixtrans-89-29.5177.6-61.4-179.5000112.7P340 P341P340-L343 PolarHBondContact O-N 3.36Å; P341-L343 PolarHBondContact O-N 3.4Å
344L62.6Low60.1Low93 Ų93112.3 Ų112.349%0.48765%0.647SS.*Hα-helixtrans-82.5-22.7171.5-84.971.1000112.6L336 L339 G346L336-L344 HydrophobicContact CB-CD2 4.36Å; L336-L344 HydrophobicContact CD2-CD1 4.39Å; L336-L344 HydrophobicContact CD2-CD2 4.46Å; L336-L344 HydrophobicContact CD2-CG 4.49Å; L336-L344 VanDerWaalsContact O-CD2 3.27Å; L336-L344 WeakPolarHBondContact O-CD2 3.45Å; L339-L344 HydrophobicContact CB-CD1 3.88Å; L339-L344 HydrophobicContact CD1-CD1 4.49Å; L344-G346 VanDerWaalsContact C-N 3.31Å; L344-G346 PolarHBondContact O-N 3.13Å
345G55Low57.5Low57 Ų57114.4 Ų114.459%0.58867%0.67SS**  trans-80.244.8-169.500000117.2P341P341-G345 PolarHBondContact O-N 3.3Å
346G45.8Very low55Low53 Ų53120 Ų12055%0.54669%0.694SS.*  trans-68.3139.2166.500000111.3L344 F348L344-G346 VanDerWaalsContact C-N 3.31Å; L344-G346 PolarHBondContact O-N 3.13Å; G346-F348 PolarHBondContact O-N 3.39Å
347P45.5Very low52.8Low128 Ų128122.1 Ų122.183%0.83171%0.706SS**SBendtrans-79.873.5-164.332.5-37.7000114.3
348F47.2Very low50.4Low199 Ų199119 Ų11987%0.87371%0.713SS**  trans-128.895.4167-78.8-80000111.8G346G346-F348 PolarHBondContact O-N 3.39Å
349S37Very low48.4Very low116 Ų116122.1 Ų122.181%0.81172%0.724SS**  trans-155.5146.5156.9-87.40000111.3
350P52.6Low46.2Very low124 Ų124125.3 Ų125.381%0.80575%0.746SS**  trans-87.9134-167.333.6-34.7000113.1
351S30.3Very low44Very low123 Ų123130 Ų13086%0.8676%0.762SS**  trans-105.9127.4173.8-70.10000111.1
352Q34.1Very low42.3Very low190 Ų190131.6 Ų131.689%0.88877%0.765SS**PPolyproline II helixtrans-77151.1-174.5-61.6168.116.900112.3P354Q352-P354 WeakPolarHBondContact O-CD 3.21Å
353T33Very low40.4Very low138 Ų138126.7 Ų126.785%0.84776%0.759SS**PPolyproline II helixtrans-82.2127.1178.150.60000112.9
354P34.9Very low39.6Very low123 Ų123126.1 Ų126.180%0.79976%0.763SS**PPolyproline II helixtrans-93.4134.5160.333.8-29000111.8Q352Q352-P354 WeakPolarHBondContact O-CD 3.21Å
355S31.1Very low38.3Very low114 Ų114130.6 Ų130.680%0.79778%0.782SS**PPolyproline II helixtrans-55.7149.7176.853.10000116.6
356H31.4Very low37.3Very low170 Ų170135 Ų13579%0.78779%0.787SS**  -163.4142.7113.8-165.4-80000112.8
357D33.1Very low36.4Very low123 Ų123138.6 Ų138.666%0.65879%0.794SS**  trans-51.1149.2-178.8-65.6-87.7000118.4
358S36.7Very low35.5Very low126 Ų126139.3 Ų139.388%0.88179%0.789SS**  -156.6122.5124.3-74.60000111
359D37.6Very low34.8Very low151 Ų151137.7 Ų137.781%0.80778%0.784SS**  trans-74.3143.1178.6-122.9-35.6000112.6
360T35.6Very low34.4Very low139 Ų139140.6 Ų140.685%0.85379%0.785SS**  -179.9128.1128.5-71.20000111.2
361Q36.4Very low33.5Very low161 Ų161141.5 Ų141.575%0.75278%0.778SS**  trans-69.4142.3176.5166.1-169.2-1500114
362D33.9Very low33.9Very low139 Ų139141.2 Ų141.274%0.74377%0.774SS**  172.3155.2101.5-151.735.7000114.6
363G32.2Very low33.8Very low62 Ų62137 Ų13764%0.63977%0.766SS**  trans78.5130.6156.300000118.9
364P46.3Very low33.8Very low120 Ų120138.7 Ų138.778%0.77976%0.764SS**  trans-123164.9-173.245-34.8000116.5
365E34.2Very low33.6Very low186 Ų186138.5 Ų138.587%0.86976%0.756SS**  trans64147.5157-66.1-166-162.500120.7
366E33.3Very low33.6Very low149 Ų149140 Ų14070%0.69675%0.754SS**  cis-168.8159.4-32.2-113.5-89.2172.300107.8
367N27.1Very low33.7Very low129 Ų129138.6 Ų138.669%0.6975%0.748SS**  trans45.2120.3156.4-127.5-73.6000122.7
368I27.7Very low33.5Very low143 Ų143139.8 Ų139.873%0.73376%0.759SS**  -170.4138.5125.9-106165.6000112.6
369E31.2Very low33.3Very low165 Ų165141.1 Ų141.177%0.77175%0.751SS**  trans83.6146.9152.4-94.9161.5-144.300125.5
370E29.5Very low33.7Very low177 Ų177138.9 Ų138.983%0.82775%0.745SS**  trans80.499.9157.4-60-79.487.200122.7
371E34.2Very low33.6Very low143 Ų143138.5 Ų138.567%0.66875%0.745SS**  trans-42.2161.8139.7-96.3-75.4138.600113.8S373E371-S373 PolarHBondContact OE2-N 3.45Å; E371-S373 PolarHBondContact OE2-OG 3.35Å
372P38.7Very low33.3Very low118 Ų118136.5 Ų136.577%0.76675%0.749SS**  -158.7118.174.838-13.6000120.3
373S32.7Very low33.1Very low102 Ų102135.5 Ų135.571%0.71375%0.753SS**  trans53.9-164.6141.4-610000117.9E371E371-S373 PolarHBondContact OE2-N 3.45Å; E371-S373 PolarHBondContact OE2-OG 3.35Å
374Q31.7Very low33Very low172 Ų172137 Ų13780%0.80476%0.759SS**  cis-145.1-176.21.1-43.2175.8-127.800108.4
375D30.7Very low32.4Very low119 Ų119137.9 Ų137.964%0.63676%0.762SS**  cis-166.7173-4.6-139-55.7000110.9
376L32Very low32.4Very low147 Ų147135.3 Ų135.377%0.7776%0.759SS**  trans59.9162.9164.4-58.6171.5000121.7
377E32.1Very low32.9Very low140 Ų140136.9 Ų136.965%0.65477%0.766SS**  cis-175.1129-44.4-174.7-164.9140.900110.2H379E377-H379 IonicContact OE1-CD2 2.76Å; E377-H379 PolarHBondContact OE1-CD2 2.94Å; E377-H379 IonicContact OE1-NE2 3.08Å
378V29.7Very low33.1Very low147 Ų147136.5 Ų136.589%0.89177%0.773SS**  trans-149139.4154.9-173.60000111.3
379H32.8Very low33.6Very low154 Ų154136.1 Ų136.171%0.71377%0.772SS**PPolyproline II helixtrans-90.6162.8-177.7-97.3-91.3000115.6E377E377-H379 IonicContact OE1-CD2 2.76Å; E377-H379 PolarHBondContact OE1-CD2 2.94Å; E377-H379 IonicContact OE1-NE2 3.08Å
380P45.6Very low34.3Very low105 Ų105137.9 Ų137.968%0.68278%0.777SS**PPolyproline II helixtrans-96.8159.3-176.838.1-35.4000115.1
381P33Very low34.5Very low131 Ų131137.1 Ų137.185%0.85177%0.774SS**PPolyproline II helixtrans-78.4159.1164.334.2-34.2000112
382S30.1Very low34.5Very low118 Ų118141.8 Ų141.883%0.82579%0.785SS**  trans-134.4-179.6-178.2-170.80000111.6
383S31.4Very low34.5Very low119 Ų119147.4 Ų147.483%0.83279%0.791SS**  trans75.7147.9-16980.10000115.1
384A28.6Very low34.9Very low92 Ų92148.8 Ų148.876%0.7679%0.786SS**  cis-128153.52.900000112.5
385V35.4Very low35.6Very low139 Ų139145.7 Ų145.784%0.84278%0.781SS**  trans-92.9114.3177.61760000110.3
386T34Very low36.2Very low133 Ų133145.4 Ų145.482%0.81678%0.779SS**  trans-102.6132159.9-56.90000108.6C388T386-C388 PolarHBondContact O-N 3.05Å; T386-C388 VanDerWaalsContact O-N 3.08Å
387Q42.3Very low37Very low181 Ų181146.9 Ų146.985%0.84678%0.782SS**  trans-72103.5-173.9-66.7175.9-600111.1N389Q387-N389 PolarHBondContact O-N 3Å
388C32.5Very low37.7Very low122 Ų122147.2 Ų147.282%0.82479%0.788SS**  trans-67.5116.3167.2-173.50000109.2T386T386-C388 PolarHBondContact O-N 3.05Å; T386-C388 VanDerWaalsContact O-N 3.08Å
389N37.4Very low38.7Very low134 Ų134148.3 Ų148.372%0.71779%0.789SS**  trans-70.1134.8-174.2-165.43.4000110.8Q387 Q391Q387-N389 PolarHBondContact O-N 3Å; N389-Q391 PolarHBondContact O-N 2.63Å
390K45.3Very low39.6Very low202 Ų202149.7 Ų149.788%0.87880%0.796SS**  trans-80.663.8-177-73.1-175.5177.4177.30112R392K390-R392 PolarHBondContact O-N 2.75Å
391Q34Very low39.8Very low162 Ų162153.3 Ų153.376%0.75780%0.804SS**  trans-72.9108.2163-80-178.8-45.900109.3N389 W393N389-Q391 PolarHBondContact O-N 2.63Å; Q391-W393 PolarHBondContact O-N 2.73Å
392R34.6Very low40.1Very low241 Ų241156.4 Ų156.491%0.90981%0.805SS**  trans-72.7111.1168.1171.8-179.9174.8178.3-3.2107.1K390 H394K390-R392 PolarHBondContact O-N 2.75Å; R392-H394 PolarHBondContact O-N 3.27Å; R392-H394 VanDerWaalsContact O-N 3.14Å
393W38.1Very low40.8Very low236 Ų236156.6 Ų156.689%0.89480%0.801SS**  trans-53.5118.5173.5-64.992.5000110.3Q391Q391-W393 PolarHBondContact O-N 2.73Å
394H40.7Very low41.4Very low130 Ų130154.3 Ų154.360%0.60279%0.789SS**  trans-82.5150.6161-152.3-96.7000107.3R392 D396R392-H394 PolarHBondContact O-N 3.27Å; R392-H394 VanDerWaalsContact O-N 3.14Å; H394-D396 IonicContact ND1-OD1 3.87Å; H394-D396 PolarHBondContact O-N 2.97Å
395P47.9Very low41.9Very low108 Ų108156 Ų15670%0.70179%0.786SS**  trans-74.1105152.42.416.6000105.9
396D43.1Very low42.8Very low113 Ų113158.1 Ų158.160%0.60479%0.786SS**  trans-74.9138.1172.4-58.8-46.9000108.2H394 D398H394-D396 IonicContact ND1-OD1 3.87Å; H394-D396 PolarHBondContact O-N 2.97Å; D396-D398 PolarHBondContact O-N 2.84Å
397E49.1Very low43.8Very low177 Ų177158.5 Ų158.583%0.82778%0.783SS**  trans-87.322.1-166.6-61.9-179.9131.600112.6D399E397-D399 PolarHBondContact O-N 3.46Å
398D46.9Very low44.1Very low147 Ų147158.6 Ų158.679%0.78678%0.784SS**  trans-80.649.1-173.9-57.5-41.6000112.9D396D396-D398 PolarHBondContact O-N 2.84Å
399D49.3Very low45.3Very low170 Ų170162 Ų16291%0.90979%0.788SS**  trans-93.610.3173.5-108.6-12.4000112E397E397-D399 PolarHBondContact O-N 3.46Å
400E52.2Low45.9Very low183 Ų183162.1 Ų162.186%0.85579%0.788SS**  trans-108.58.4-172.8-66.3-156.9160.900116.4
401E50.9Low46.3Very low182 Ų182160 Ų16085%0.8578%0.781SS**  trans-10861.8175.3-157.6170.2-144.900113.6
402F39.2Very low47.1Very low196 Ų196159.4 Ų159.486%0.8678%0.778SS**  trans-131.462.9154.8-154.7-87.8000110.5A404F402-A404 PolarHBondContact O-N 3.43Å; F402-A404 VanDerWaalsContact O-N 3.1Å
403T44.8Very low48.2Very low121 Ų121155.1 Ų155.174%0.74277%0.774SS**  trans-67.8104.416750.90000108.8N405T403-N405 PolarHBondContact O-N 3.32Å
404A42.8Very low49.2Very low71 Ų71148.2 Ų148.259%0.58776%0.758SS**  trans-57.8122168.600000109F402 E406F402-A404 PolarHBondContact O-N 3.43Å; F402-A404 VanDerWaalsContact O-N 3.1Å; A404-E406 PolarHBondContact O-N 2.97Å
405N39.9Very low50.1Low129 Ų129147.9 Ų147.969%0.6976%0.759SS**  trans-90.990.3177.8-169.588.9000107.7T403 D407T403-N405 PolarHBondContact O-N 3.32Å; N405-D407 PolarHBondContact O-N 2.89Å
406E54.2Low50.8Low182 Ų182145 Ų14585%0.8574%0.744SS**  trans-69.630.3-169-57.2-174.9136.500115.1A404A404-E406 PolarHBondContact O-N 2.97Å
407D54Low51.7Low142 Ų142142.5 Ų142.576%0.75974%0.739SS**  trans-13039-175.2-72.2-57000112.3N405N405-D407 PolarHBondContact O-N 2.89Å
408E50.3Low52.3Low183 Ų183140.8 Ų140.886%0.85573%0.731SS**SBendtrans-103.1121.7156.2-72.7-168.8147.400108D410E408-D410 PolarHBondContact O-N 3.45Å
409E55.9Low53.3Low194 Ų194141.1 Ų141.191%0.90773%0.728SS**PPolyproline II helixtrans-70.7123.2-175.9-64.6-179134.500110.2E411E409-E411 PolarHBondContact O-N 3.12Å
410D51.4Low54.1Low136 Ų136140.9 Ų140.973%0.72772%0.722SS**PPolyproline II helixtrans-70.6117.6-173-162.7-7.1000112E408 E412E408-D410 PolarHBondContact O-N 3.45Å; D410-E412 PolarHBondContact O-N 3.42Å
411E53.3Low54.4Low157 Ų157139.5 Ų139.573%0.73472%0.719SS**  trans-81.358.9178-66.3-169165.200111.2E409 D413 T414E409-E411 PolarHBondContact O-N 3.12Å; E411-D413 PolarHBondContact O-N 3.12Å; E411-T414 PolarHBondContact O-N 3.25Å; E411-T414 PolarHBondContact O-OG1 2.86Å
412E51.2Low54.8Low149 Ų149138.5 Ų138.570%0.69671%0.714SS**G310 helixtrans-49.8-28.2-178.9-76.6-167.1132.400113.6D410 T414 I415D410-E412 PolarHBondContact O-N 3.42Å; E412-T414 PolarHBondContact O-N 3.4Å; E412-I415 PolarHBondContact O-N 2.93Å
413D57.3Low55.6Low152 Ų152131.8 Ų131.881%0.81370%0.701SS**G310 helixtrans-54.8-22.8176.9-87.3-23.5000113.5E411E411-D413 PolarHBondContact O-N 3.12Å
414T60Low56.5Low90 Ų90135.4 Ų135.455%0.55271%0.709SS**G310 helixtrans-69.6-41.2-177.5-49.10000112.4E411 E412 A417E411-T414 PolarHBondContact O-N 3.25Å; E411-T414 PolarHBondContact O-OG1 2.86Å; E412-T414 PolarHBondContact O-N 3.4Å; T414-A417 PolarHBondContact O-N 3.16Å
415I57.7Low57.7Low123 Ų123135.6 Ų135.663%0.63170%0.703SS**Hα-helixtrans-72.5-41.8-170.7-49.5175.6000110.5E412 A417 E418 E419E412-I415 PolarHBondContact O-N 2.93Å; I415-A417 PolarHBondContact O-N 2.87Å; I415-A417 VanDerWaalsContact O-N 3.17Å; I415-E418 PolarHBondContact O-N 3.07Å; I415-E418 VanDerWaalsContact O-N 3.12Å; I415-E419 PolarHBondContact O-N 3.32Å
416A64.6Low59.1Low47 Ų47133.7 Ų133.739%0.38869%0.693SS.*Hα-helixtrans-65.9-16.2178.800000113.6Q420A416-Q420 PolarHBondContact O-NE2 3.18Å
417A60.7Low60.2Low61 Ų61130.9 Ų130.950%0.50468%0.679SS.*Hα-helixtrans-82.5-30.3174.400000112.8T414 I415T414-A417 PolarHBondContact O-N 3.16Å; I415-A417 PolarHBondContact O-N 2.87Å; I415-A417 VanDerWaalsContact O-N 3.17Å
418E61.8Low61.5Low141 Ų141126.9 Ų126.966%0.65967%0.666SS**Hα-helixtrans-78.3-41.4179.3-163.4159.7-139.600111.1I415 Q420 L421 E422I415-E418 PolarHBondContact O-N 3.07Å; I415-E418 VanDerWaalsContact O-N 3.12Å; E418-Q420 PolarHBondContact O-N 3.37Å; E418-L421 WeakPolarHBondContact O-CA 3.26Å; E418-L421 WeakPolarHBondContact O-CB 3.49Å; E418-L421 PolarHBondContact O-N 3.06Å; E418-E422 PolarHBondContact O-N 2.89Å
419E67.6Low62.9Low155 Ų155124.1 Ų124.172%0.72466%0.655SS**Hα-helixtrans-59.2-30.2172.7-172.3-179.8-15400112.8I415 L421I415-E419 PolarHBondContact O-N 3.32Å; E419-L421 VanDerWaalsContact C-N 3.33Å
420Q66.9Low64.1Low165 Ų165119.7 Ų119.777%0.77163%0.634SS**THydrogen-bonded Turntrans-78.9-13.1174.3-79.217685.200114A416 E418A416-Q420 PolarHBondContact O-NE2 3.18Å; E418-Q420 PolarHBondContact O-N 3.37Å
421L57.3Low65.6Low153 Ų153119 Ų11980%0.80163%0.63SS**THydrogen-bonded Turntrans-96.7-36.2177.9-167.969.4000111.9E418 E419 G423E418-L421 WeakPolarHBondContact O-CA 3.26Å; E418-L421 WeakPolarHBondContact O-CB 3.49Å; E418-L421 PolarHBondContact O-N 3.06Å; E419-L421 VanDerWaalsContact C-N 3.33Å; L421-G423 PolarHBondContact O-N 2.92Å
422E59.3Low67Low161 Ų161115.3 Ų115.375%0.75262%0.621SS**SBendtrans-79.846178.8-158.6170.8-124.200112.5E418 E424E418-E422 PolarHBondContact O-N 2.89Å; E422-E424 PolarHBondContact O-N 2.9Å
423G57.9Low68.6Low56 Ų56113 Ų11358%0.57761%0.61SS**  trans-59127.3-163.700000116L421 V425L421-G423 PolarHBondContact O-N 2.92Å; G423-V425 PolarHBondContact O-N 3.2Å; G423-V425 VanDerWaalsContact O-N 3.15Å
424E62.1Low69.7Low197 Ų197111 Ų11192%0.92160%0.599SS**  trans3.383.6174.7-162170.3-152.100116.1E422 D426E422-E424 PolarHBondContact O-N 2.9Å; E424-D426 PolarHBondContact O-N 3.37Å
425V68.4Low70.7Confident74 Ų74109.5 Ų109.545%0.44860%0.596SS.*  trans-67119172.9178.90000109.7G423 H427 E430G423-V425 PolarHBondContact O-N 3.2Å; G423-V425 VanDerWaalsContact O-N 3.15Å; V425-H427 PolarHBondContact O-N 3.35Å; V425-E430 HydrophobicContact CG1-CG 4.18Å
426D70.3Confident71.8Confident89 Ų89109.9 Ų109.948%0.47659%0.589SS.*  trans-7290.5175.2-177.74.5000110.8E424 A428 M429 E430E424-D426 PolarHBondContact O-N 3.37Å; D426-A428 PolarHBondContact O-N 3.25Å; D426-A428 VanDerWaalsContact OD1-CB 3.24Å; D426-A428 WeakPolarHBondContact OD1-CB 3.41Å; D426-A428 PolarHBondContact OD1-N 2.87Å; D426-M429 HydrophobicContact CB-CB 4.2Å; D426-M429 HydrophobicContact CB-CE 4.37Å; D426-M429 WeakPolarHBondContact O-CA 3.21Å; D426-M429 WeakPolarHBondContact O-CB 3.3Å; D426-M429 PolarHBondContact O-N 2.91Å; D426-E430 PolarHBondContact O-N 3.08Å
427H75.9Confident72.5Confident123 Ų123112.1 Ų112.157%0.56959%0.592SS**Hα-helixtrans-57.4-20.1176.4-57.5-52.3000113.8V425 M429 E430 L431V425-H427 PolarHBondContact O-N 3.35Å; H427-M429 VanDerWaalsContact C-N 3.3Å; H427-E430 IonicContact CE1-OE2 3.8Å; H427-E430 IonicContact CG-OE2 3.74Å; H427-E430 IonicContact ND1-OE2 2.81Å; H427-E430 PolarHBondContact ND1-OE2 3.5Å; H427-L431 WeakPolarHBondContact O-CB 3.36Å; H427-L431 VanDerWaalsContact O-CG 3.27Å; H427-L431 WeakPolarHBondContact O-CG 3.27Å; H427-L431 PolarHBondContact O-N 2.87Å; H427-L431 VanDerWaalsContact O-N 3.08Å
428A81.9Confident73.1Confident59 Ų59110.9 Ų110.949%0.48859%0.585SS.*Hα-helixtrans-72.4-27172.500000111.8D426 S432D426-A428 PolarHBondContact O-N 3.25Å; D426-A428 VanDerWaalsContact OD1-CB 3.24Å; D426-A428 WeakPolarHBondContact OD1-CB 3.41Å; D426-A428 PolarHBondContact OD1-N 2.87Å; A428-S432 WeakPolarHBondContact O-CB 3.41Å; A428-S432 PolarHBondContact O-N 3.07Å; A428-S432 VanDerWaalsContact O-N 3.14Å; A428-S432 PolarHBondContact O-OG 2.95Å
429M79Confident73.5Confident125 Ų125109.2 Ų109.262%0.61658%0.581SS**Hα-helixtrans-72.1-46.3172-160.3177.3-52.400111.1D426 H427 L431 S432 E433D426-M429 HydrophobicContact CB-CB 4.2Å; D426-M429 HydrophobicContact CB-CE 4.37Å; D426-M429 WeakPolarHBondContact O-CA 3.21Å; D426-M429 WeakPolarHBondContact O-CB 3.3Å; D426-M429 PolarHBondContact O-N 2.91Å; H427-M429 VanDerWaalsContact C-N 3.3Å; M429-L431 PolarHBondContact O-N 3.37Å; M429-S432 WeakPolarHBondContact O-CB 3.35Å; M429-S432 PolarHBondContact O-N 2.8Å; M429-S432 VanDerWaalsContact O-N 3.1Å; M429-E433 PolarHBondContact O-N 2.95Å
430E80.6Confident73.4Confident100 Ų100105.8 Ų105.847%0.46757%0.567SS.*Hα-helixtrans-57.6-46.3175.2-62.5-175.5113.900112V425 D426 H427 S432 E433 L434V425-E430 HydrophobicContact CG1-CG 4.18Å; D426-E430 PolarHBondContact O-N 3.08Å; H427-E430 IonicContact CE1-OE2 3.8Å; H427-E430 IonicContact CG-OE2 3.74Å; H427-E430 IonicContact ND1-OE2 2.81Å; H427-E430 PolarHBondContact ND1-OE2 3.5Å; E430-S432 VanDerWaalsContact C-N 3.28Å; E430-S432 PolarHBondContact O-N 3.39Å; E430-E433 WeakPolarHBondContact O-CB 3.27Å; E430-E433 PolarHBondContact O-N 3.1Å; E430-L434 PolarHBondContact O-N 2.96Å
431L83.4Confident73Confident122 Ų122105.7 Ų105.764%0.63956%0.56SS**Hα-helixtrans-65.7-30.7176.8-70.6171.1000112.8H427 M429 A435H427-L431 WeakPolarHBondContact O-CB 3.36Å; H427-L431 VanDerWaalsContact O-CG 3.27Å; H427-L431 WeakPolarHBondContact O-CG 3.27Å; H427-L431 PolarHBondContact O-N 2.87Å; H427-L431 VanDerWaalsContact O-N 3.08Å; M429-L431 PolarHBondContact O-N 3.37Å; L431-A435 WeakPolarHBondContact O-CB 3.44Å; L431-A435 PolarHBondContact O-N 3.47Å; L431-A435 VanDerWaalsContact O-N 3.11Å
432S82.2Confident73.1Confident79 Ų79105.5 Ų105.555%0.55256%0.555SS**Hα-helixtrans-73.3-35.3174.1-61.10000112.1A428 M429 E430 R436A428-S432 WeakPolarHBondContact O-CB 3.41Å; A428-S432 PolarHBondContact O-N 3.07Å; A428-S432 VanDerWaalsContact O-N 3.14Å; A428-S432 PolarHBondContact O-OG 2.95Å; M429-S432 WeakPolarHBondContact O-CB 3.35Å; M429-S432 PolarHBondContact O-N 2.8Å; M429-S432 VanDerWaalsContact O-N 3.1Å; E430-S432 VanDerWaalsContact C-N 3.28Å; E430-S432 PolarHBondContact O-N 3.39Å; S432-R436 VanDerWaalsContact O-CB 3.32Å; S432-R436 WeakPolarHBondContact O-CB 3.44Å; S432-R436 PolarHBondContact O-N 3.48Å
433E84.8Confident73Confident100 Ų100104.2 Ų104.247%0.46755%0.552SS.*Hα-helixtrans-66-48.7174.1-167.598.3-84.100110.9M429 E430 A435 R436 E437M429-E433 PolarHBondContact O-N 2.95Å; E430-E433 WeakPolarHBondContact O-CB 3.27Å; E430-E433 PolarHBondContact O-N 3.1Å; E433-A435 VanDerWaalsContact C-N 3.33Å; E433-A435 PolarHBondContact O-N 3.1Å; E433-R436 WeakPolarHBondContact O-CB 3.02Å; E433-R436 PolarHBondContact O-N 3.03Å; E433-R436 IonicContact OE1-CZ 3.34Å; E433-R436 VanDerWaalsContact OE1-CZ 3.28Å; E433-R436 IonicContact OE1-NE 3.74Å; E433-R436 PolarHBondContact OE1-NE 3.45Å; E433-R436 VanDerWaalsContact OE1-NE 3.08Å; E433-R436 IonicContact OE1-NH2 2.64Å; E433-R436 PolarHBondContact OE1-NH2 2.99Å; E433-E437 WeakPolarHBondContact O-CB 3.43Å; E433-E437 PolarHBondContact O-N 2.75Å
434L80.9Confident73Confident110 Ų110110 Ų11058%0.57656%0.562SS**Hα-helixtrans-60.7-38.9175.8-101.666.5000112.6E430 E437 G438E430-L434 PolarHBondContact O-N 2.96Å; L434-E437 PolarHBondContact O-N 2.68Å; L434-G438 PolarHBondContact O-N 2.87Å
435A81.5Confident72.5Confident59 Ų59114.1 Ų114.149%0.48857%0.571SS.*Hα-helixtrans-65-44.2174.700000111.7L431 E433 E437 G438 D439L431-A435 WeakPolarHBondContact O-CB 3.44Å; L431-A435 PolarHBondContact O-N 3.47Å; L431-A435 VanDerWaalsContact O-N 3.11Å; E433-A435 VanDerWaalsContact C-N 3.33Å; E433-A435 PolarHBondContact O-N 3.1Å; A435-E437 VanDerWaalsContact C-N 3.29Å; A435-E437 PolarHBondContact O-N 3.38Å; A435-G438 PolarHBondContact O-N 3.45Å; A435-D439 PolarHBondContact O-N 2.96Å
436R81.5Confident72.7Confident131 Ų131116.1 Ų116.149%0.49458%0.577SS.*Hα-helixtrans-62.5-34.5175.8-174.5-171.866.866.1-7.3112.3S432 E433 I440S432-R436 VanDerWaalsContact O-CB 3.32Å; S432-R436 WeakPolarHBondContact O-CB 3.44Å; S432-R436 PolarHBondContact O-N 3.48Å; E433-R436 WeakPolarHBondContact O-CB 3.02Å; E433-R436 PolarHBondContact O-N 3.03Å; E433-R436 IonicContact OE1-CZ 3.34Å; E433-R436 VanDerWaalsContact OE1-CZ 3.28Å; E433-R436 IonicContact OE1-NE 3.74Å; E433-R436 PolarHBondContact OE1-NE 3.45Å; E433-R436 VanDerWaalsContact OE1-NE 3.08Å; E433-R436 IonicContact OE1-NH2 2.64Å; E433-R436 PolarHBondContact OE1-NH2 2.99Å; R436-I440 WeakPolarHBondContact O-CG1 3.34Å; R436-I440 PolarHBondContact O-N 3.45Å
437E77.6Confident72.9Confident94 Ų94117.5 Ų117.544%0.43958%0.582SS.*Hα-helixtrans-71.7-42.8174.1-178.6165.9-13000111.8E433 L434 A435 D439 I440 Y441E433-E437 WeakPolarHBondContact O-CB 3.43Å; E433-E437 PolarHBondContact O-N 2.75Å; L434-E437 PolarHBondContact O-N 2.68Å; A435-E437 VanDerWaalsContact C-N 3.29Å; A435-E437 PolarHBondContact O-N 3.38Å; E437-D439 VanDerWaalsContact C-N 3.33Å; E437-D439 PolarHBondContact O-N 3.16Å; E437-I440 WeakPolarHBondContact O-CB 3.41Å; E437-I440 PolarHBondContact O-N 2.9Å; E437-Y441 HydrophobicContact CG-CD2 4.25Å; E437-Y441 HydrophobicContact CG-CE2 3.76Å; E437-Y441 VanDerWaalsContact O-CD2 3.27Å; E437-Y441 WeakPolarHBondContact O-CD2 3.34Å; E437-Y441 PolarHBondContact O-N 2.97Å
438G73.2Confident72.7Confident35 Ų35117.2 Ų117.236%0.36158%0.583SS.*Hα-helixtrans-55.4-4517300000113.2L434 A435 I440 Y441 Q442L434-G438 PolarHBondContact O-N 2.87Å; A435-G438 PolarHBondContact O-N 3.45Å; G438-I440 VanDerWaalsContact C-N 3.27Å; G438-I440 PolarHBondContact O-N 3.15Å; G438-Y441 PolarHBondContact O-N 3.31Å; G438-Q442 PolarHBondContact O-N 3.02Å; G438-Q442 VanDerWaalsContact O-N 3.17Å
439D70.7Confident72.1Confident106 Ų106120.6 Ų120.657%0.56759%0.589SS**Hα-helixtrans-60.8-31.9175.9-82.6-17.8000112.9A435 E437 Q442 I443A435-D439 PolarHBondContact O-N 2.96Å; E437-D439 VanDerWaalsContact C-N 3.33Å; E437-D439 PolarHBondContact O-N 3.16Å; D439-Q442 PolarHBondContact O-N 3.42Å; D439-I443 WeakPolarHBondContact O-CG1 3.46Å; D439-I443 PolarHBondContact O-N 2.69Å
440I66Low71.7Confident84 Ų84120.4 Ų120.443%0.43159%0.587SS.*Hα-helixtrans-66.9-41.3177-70.9166.3000110.9R436 E437 G438 Q442 I443R436-I440 WeakPolarHBondContact O-CG1 3.34Å; R436-I440 PolarHBondContact O-N 3.45Å; E437-I440 WeakPolarHBondContact O-CB 3.41Å; E437-I440 PolarHBondContact O-N 2.9Å; G438-I440 VanDerWaalsContact C-N 3.27Å; G438-I440 PolarHBondContact O-N 3.15Å; I440-Q442 PolarHBondContact O-N 2.84Å; I440-I443 PolarHBondContact O-N 2.71Å
441Y58.6Low71.1Confident163 Ų163121.7 Ų121.764%0.63960%0.595SS**Hα-helixtrans-68.7-24174.5-70.1-70.3000112.9E437 G438 I443E437-Y441 HydrophobicContact CG-CD2 4.25Å; E437-Y441 HydrophobicContact CG-CE2 3.76Å; E437-Y441 VanDerWaalsContact O-CD2 3.27Å; E437-Y441 WeakPolarHBondContact O-CD2 3.34Å; E437-Y441 PolarHBondContact O-N 2.97Å; G438-Y441 PolarHBondContact O-N 3.31Å; Y441-I443 VanDerWaalsContact C-N 3.3Å; Y441-I443 PolarHBondContact O-N 2.84Å
442Q58.3Low70.2Confident148 Ų148121.7 Ų121.769%0.69259%0.592SS**THydrogen-bonded Turntrans-83.4-1.3-179.3-158.1148.42.200114.2G438 D439 I440G438-Q442 PolarHBondContact O-N 3.02Å; G438-Q442 VanDerWaalsContact O-N 3.17Å; D439-Q442 PolarHBondContact O-N 3.42Å; I440-Q442 PolarHBondContact O-N 2.84Å
443I58.1Low69.3Low135 Ų135125 Ų12569%0.69260%0.595SS**THydrogen-bonded Turntrans-87.7-9.3173.5-69.4165.9000112.4D439 I440 Y441D439-I443 WeakPolarHBondContact O-CG1 3.46Å; D439-I443 PolarHBondContact O-N 2.69Å; I440-I443 PolarHBondContact O-N 2.71Å; Y441-I443 VanDerWaalsContact C-N 3.3Å; Y441-I443 PolarHBondContact O-N 2.84Å
444F57.7Low68Low178 Ų178127.1 Ų127.178%0.78161%0.605SS**  trans-10621.4-175.3-80-80.7000115.3
445Y52.3Low66.9Low282 Ų282128.6 Ų128.6100%1.10661%0.608SS**  trans-133.50177.3-98.5-74.7000113.5

Retrieved 445 of 445 residues in 387.3 ms (Link to these results)