A0A077YWI8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YWI8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,327 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.7Very low34.6Very low237 Ų237128.3 Ų128.3100%1.16781%0.805SS**  081.80-55.5176.8-170.600104.8
2A33Very low34.3Very low77 Ų77131.1 Ų131.164%0.63681%0.81SS**  cis63133.923.200000114.2
3D34.7Very low34.7Very low159 Ų159128.6 Ų128.685%0.8580%0.797SS**  cis-169.7163.6-12.8-102.1-34.6000109.7
4G34.1Very low34.8Very low77 Ų77131.4 Ų131.479%0.79480%0.803SS**  trans72.9158.7157.500000117.6
5D39.8Very low34.7Very low158 Ų158130.4 Ų130.485%0.84580%0.797SS**  cis-176.7176.73.9-163.7-5.2000106.6
6D37.4Very low34.7Very low162 Ų162129.1 Ų129.187%0.86679%0.794SS**  trans-80.8163-166.8-75.3-44.9000117.2
7G34.3Very low34.5Very low73 Ų73128.3 Ų128.375%0.75379%0.79SS**  trans-149.134.8-171.200000117.8
8N33.2Very low34.5Very low143 Ų143126.7 Ų126.777%0.76578%0.784SS**  trans-28.3129172.4169.133.6000118.5
9T33.8Very low34.5Very low123 Ų123128.3 Ų128.376%0.75578%0.782SS**  trans-159.6108.5144.114.30000115.8
10T29.7Very low34.5Very low114 Ų114128.9 Ų128.970%0.69978%0.779SS**  40.1130.8127.862.90000122.7
11A29.9Very low34.4Very low88 Ų88126.2 Ų126.273%0.72777%0.771SS**  154.599.5100.700000116.1
12D31.1Very low33.9Very low162 Ų162121.5 Ų121.587%0.86676%0.756SS**  68.8160.8120.6-94.729.3000122.9
13P39.3Very low33.8Very low99 Ų99121.8 Ų121.864%0.64376%0.758SS**  -138.3-161.7-123.443.5-23.6000114.2
14L36.2Very low33.7Very low168 Ų168122 Ų12288%0.8876%0.759SS**  trans-164.6152.9138-108.1163.8000112.9
15V33.8Very low33.5Very low116 Ų116122.3 Ų122.370%0.70375%0.754SS**  trans-151.7142.9-170.7169.50000110.5T17V15-T17 HydrophobicContact CG1-CG2 4.12Å
16S33.9Very low33.1Very low109 Ų109120.6 Ų120.676%0.76275%0.749SS**  trans-152.5136.8154.6-69.60000108.5
17T32Very low32.8Very low116 Ų116119.7 Ų119.771%0.71274%0.744SS**  cis99.1136.517.967.50000116.7V15V15-T17 HydrophobicContact CG1-CG2 4.12Å
18S34.8Very low32.6Very low99 Ų99121.1 Ų121.169%0.69274%0.743SS**  trans124.6147161.4-74.20000113.5
19E33.4Very low32.4Very low157 Ų157122.2 Ų122.273%0.73474%0.743SS**  cis-175.4166.3-14.3-112.6170.8100.500107.2
20L35.1Very low32.5Very low141 Ų141122.2 Ų122.274%0.73874%0.738SS**  cis-142.4155.1-0.5-91.9153.1000106
21A31.8Very low32.5Very low73 Ų73122.5 Ų122.560%0.60374%0.74SS**  67.5140.865.300000115.3
22T30.8Very low32.8Very low138 Ų138123 Ų12385%0.84774%0.737SS**  cis-169.4175.5-3.99.80000111.7
23A31.8Very low32.7Very low82 Ų82122.1 Ų122.168%0.67873%0.731SS**  trans82.2130.616800000116.6
24N31.4Very low32.3Very low163 Ų163123.3 Ų123.387%0.87273%0.73SS**  cis76.9131.542.6-60.8-6.6000112.1
25A30.2Very low31.9Very low84 Ų84124.8 Ų124.869%0.69472%0.724SS**  cis-158.8155.59.300000113.9
26V31.7Very low31.9Very low122 Ų122124.1 Ų124.174%0.73972%0.72SS**  64.7122.3126.2170.10000121.8
27D31.4Very low31.8Very low143 Ų143125.4 Ų125.477%0.76572%0.719SS**  trans68.4151145.7-63.6-3.7000125.8
28S29.7Very low31.8Very low103 Ų103125.3 Ų125.372%0.7272%0.718SS**  trans91.3100.7150.968.30000121.5
29E29.7Very low31.6Very low166 Ų166126.6 Ų126.678%0.77672%0.722SS**  75.3146.3120.9-67.9-170-164.900124.3
30N33.9Very low31.4Very low123 Ų123125.2 Ų125.266%0.65872%0.724SS**  trans71.779.3150.6-58.1-32000120.7
31T30.3Very low31Very low120 Ų120128.7 Ų128.774%0.73673%0.727SS**  29.6137.886.7-33.10000116.8
32P36.8Very low30.8Very low100 Ų100132.5 Ų132.565%0.64973%0.733SS**  cis-143.4-164-13.134.2-10.2000116.1
33L29Very low30.8Very low142 Ų142132 Ų13274%0.74373%0.732SS**  trans97.8113.7131-119.363.5000121.7
34I29.9Very low30.8Very low124 Ų124134.1 Ų134.164%0.63674%0.736SS**  69.2136.5127.9-77.6-172.5000118.8
35R29Very low31.1Very low200 Ų200132.8 Ų132.876%0.75574%0.735SS**  cis-162.2162.33.8-125.9-173.3-177.9125.1-2.8111.4
36T33.1Very low31.5Very low101 Ų101134 Ų13462%0.6274%0.735SS**  trans43.1133.2148.857.60000120.3
37D32.7Very low31.8Very low137 Ų137137.8 Ų137.873%0.73374%0.742SS**  cis-167.9-1671.7-98.8-23.7000107.1
38T30.9Very low32Very low114 Ų114137.2 Ų137.270%0.69974%0.739SS**  cis-163.3159.221.2-23.90000112.1
39T30.3Very low32.4Very low126 Ų126140.2 Ų140.277%0.77375%0.747SS**  trans72.3139.8158.367.40000121.7
40V29.6Very low32.6Very low128 Ų128138.8 Ų138.878%0.77675%0.745SS**  trans85102.8159.5-161.60000120.3
41R27.2Very low32.8Very low213 Ų213140.7 Ų140.780%0.80476%0.755SS**  trans77.6132.6151.6-91.9-175.9145.7107.32123
42E28.5Very low33.2Very low154 Ų154140.7 Ų140.772%0.7275%0.751SS**  trans68.599.4145.5-70.6168-147.700120.6
43P30.1Very low33.4Very low128 Ų128143.6 Ų143.683%0.83176%0.761SS**  trans-116.9149.3161.137.7-27000114
44T32.2Very low33.6Very low125 Ų125142.5 Ų142.577%0.76776%0.756SS**  trans-105.3136.1173.6440000112.5
45T37Very low33.9Very low136 Ų136143.7 Ų143.783%0.83476%0.763SS**  trans60172.9164.853.30000115.7
46P39.8Very low34.3Very low109 Ų109141.5 Ų141.571%0.70877%0.766SS**  cis-118.8-176.5-8.142.1-29.3000113
47F37.7Very low34.4Very low201 Ų201141.9 Ų141.988%0.88277%0.773SS**  trans-154.6130.4146.2-112.7-79.4000108.9
48D34.2Very low34.7Very low131 Ų131141.4 Ų141.470%0.70178%0.777SS**  trans-82.1146.9158.6-73.2-62.5000108.6
49D39.3Very low34.8Very low167 Ų167140.2 Ų140.289%0.89378%0.78SS**  trans-144.7131.9141.2-98-38.5000106.5
50N33.3Very low34.8Very low136 Ų136141 Ų14173%0.72778%0.784SS**  trans-97.1151.1179.3-67.3-94.9000109
51D38.3Very low34.9Very low162 Ų162142.9 Ų142.987%0.86679%0.789SS**  trans-156.8142.2142-99.4-25000109.7
52D38.3Very low35.1Very low121 Ų121137.6 Ų137.665%0.64779%0.79SS**  trans-43.3164.2176.7-75.1-59000116.2N54D52-N54 PolarHBondContact OD1-ND2 2.76Å
53D40.4Very low35.2Very low161 Ų161136.7 Ų136.786%0.86180%0.796SS**  cis-134.9163.839.9-92.7-55.3000116.7
54N34.3Very low35.4Very low119 Ų119136 Ų13664%0.63679%0.791SS**  trans-87.8159.9-175.9-63.7-92.4000113D52D52-N54 PolarHBondContact OD1-ND2 2.76Å
55D36.7Very low35.2Very low149 Ų149134.2 Ų134.280%0.79779%0.789SS**  -176143.9105.3-97.1-10.8000115
56D36.1Very low34.8Very low153 Ų153132.8 Ų132.882%0.81879%0.785SS**  trans53.485.9156.6-72.3-6.5000122.2
57S35.4Very low34.2Very low110 Ų110134.8 Ų134.877%0.76979%0.79SS**  -52.9172.8127.2-93.80000113
58P39.1Very low33.8Very low126 Ų126130.1 Ų130.182%0.81879%0.788SS**  cis-141.3177.528.441.5-21.5000117.8
59A32.4Very low33.7Very low90 Ų90130.1 Ų130.174%0.74480%0.797SS**  trans-87.7160.7175.900000114
60V32.1Very low33.3Very low143 Ų143125.7 Ų125.787%0.86779%0.79SS**  trans-133.5140.7158.4178.60000108.4
61L29.9Very low33.7Very low166 Ų166122.7 Ų122.787%0.86978%0.78SS**  trans-82.3145.7-173.8-66.479.7000113
62A32.1Very low34.1Very low102 Ų102119.3 Ų119.384%0.84377%0.769SS**  trans-151.1120.2151.200000111.3
63T31.4Very low34.8Very low135 Ų135121.6 Ų121.683%0.82877%0.77SS**  trans-92.6176.6159.747.30000108.7
64P33.8Very low35.6Very low114 Ų114117.4 Ų117.474%0.7475%0.745SS**  cis-138.2-177.57.644.4-26.9000116.3
65A27Very low36.7Very low87 Ų87118 Ų11872%0.71974%0.744SS**  trans55.7132.2140.900000124.3
66S28.9Very low37.7Very low107 Ų107115.3 Ų115.375%0.74873%0.729SS**  trans75.4149.6143.380.70000123.1
67N28.5Very low39.4Very low151 Ų151112.6 Ų112.681%0.80771%0.71SS**  trans68.798.8158.3-63.3-0.9000121.2
68A27.6Very low40.9Very low102 Ų102114.7 Ų114.784%0.84370%0.701SS**  trans69.5169.2143.300000119.5G70A68-G70 PolarHBondContact O-N 2.85Å
69C32.3Very low42.3Very low131 Ų131113.5 Ų113.589%0.88569%0.685SS**  trans57.738.2174.9-137.80000117.1S71C69-S71 PolarHBondContact O-N 3.26Å
70G31Very low43.9Very low74 Ų74113.3 Ų113.376%0.76367%0.674SS**  trans-63.9100.315800000109.6A68 S72A68-G70 PolarHBondContact O-N 2.85Å; G70-S72 PolarHBondContact O-N 2.8Å
71S42.1Very low45.9Very low73 Ų73110.3 Ų110.351%0.5165%0.653SS.*  trans-55.9135.7-173.3-179.30000112.6C69 Y73 E74C69-S71 PolarHBondContact O-N 3.26Å; S71-Y73 PolarHBondContact O-N 3.09Å; S71-Y73 PolarHBondContact OG-N 2.67Å; S71-E74 PolarHBondContact O-N 2.78Å
72S47Very low47.9Very low92 Ų92108.7 Ų108.764%0.64364%0.641SS**Hα-helixtrans-40.7-38.6169.8171.10000112.5G70 E74 Q75 L76G70-S72 PolarHBondContact O-N 2.8Å; S72-E74 PolarHBondContact O-N 3.35Å; S72-Q75 PolarHBondContact O-N 2.74Å; S72-L76 VanDerWaalsContact O-CB 3.28Å; S72-L76 WeakPolarHBondContact O-CB 3.44Å; S72-L76 PolarHBondContact O-N 3.16Å
73Y52.4Low49.7Very low169 Ų169110.6 Ų110.666%0.66363%0.632SS**Hα-helixtrans-57-39.1178.9-173-99.9000114.7S71 K77S71-Y73 PolarHBondContact O-N 3.09Å; S71-Y73 PolarHBondContact OG-N 2.67Å; Y73-K77 WeakPolarHBondContact O-CB 2.98Å; Y73-K77 PolarHBondContact O-N 3.13Å
74E57.5Low51.7Low72 Ų72111.2 Ų111.234%0.33662%0.62SS.*Hα-helixtrans-73.4-33.7178.9-103.6-71.212700112.1S71 S72 K77 R78S71-E74 PolarHBondContact O-N 2.78Å; S72-E74 PolarHBondContact O-N 3.35Å; E74-K77 WeakPolarHBondContact OE1-CD 3.37Å; E74-K77 IonicContact OE1-NZ 3.8Å; E74-K77 PolarHBondContact OE1-NZ 3.29Å; E74-R78 WeakPolarHBondContact O-CG 3.41Å; E74-R78 PolarHBondContact O-N 3.18Å; E74-R78 IonicContact OE2-CZ 3.53Å; E74-R78 IonicContact OE2-NE 3.17Å; E74-R78 PolarHBondContact OE2-NE 3.36Å; E74-R78 IonicContact OE2-NH2 2.66Å; E74-R78 PolarHBondContact OE2-NH2 3.27Å
75Q58.4Low53.6Low132 Ų132108.3 Ų108.362%0.61761%0.605SS**Hα-helixtrans-76.6-41.4177.9-165.8161.8-3.400111.3S72 K77 R78 Q79S72-Q75 PolarHBondContact O-N 2.74Å; Q75-K77 VanDerWaalsContact C-N 3.35Å; Q75-K77 PolarHBondContact O-N 3.02Å; Q75-R78 PolarHBondContact O-N 3.18Å; Q75-Q79 PolarHBondContact O-N 3.49Å
76L56.8Low55.6Low93 Ų93107.1 Ų107.149%0.48760%0.595SS.*Hα-helixtrans-60.8-42.1170.8-172.371.8000111.3S72 R78 Q79 V80S72-L76 VanDerWaalsContact O-CB 3.28Å; S72-L76 WeakPolarHBondContact O-CB 3.44Å; S72-L76 PolarHBondContact O-N 3.16Å; L76-R78 PolarHBondContact O-N 2.83Å; L76-Q79 PolarHBondContact O-N 3.35Å; L76-V80 WeakPolarHBondContact O-CB 3.38Å; L76-V80 VanDerWaalsContact O-CG2 3.3Å; L76-V80 WeakPolarHBondContact O-CG2 3.25Å; L76-V80 PolarHBondContact O-N 3.16Å
77K71Confident57.4Low96 Ų96109.1 Ų109.142%0.41759%0.591SS.*Hα-helixtrans-60.1-41.9175.4174.1-179.1158.5-155.20112.2Y73 E74 Q75 V80 D81Y73-K77 WeakPolarHBondContact O-CB 2.98Å; Y73-K77 PolarHBondContact O-N 3.13Å; E74-K77 WeakPolarHBondContact OE1-CD 3.37Å; E74-K77 IonicContact OE1-NZ 3.8Å; E74-K77 PolarHBondContact OE1-NZ 3.29Å; Q75-K77 VanDerWaalsContact C-N 3.35Å; Q75-K77 PolarHBondContact O-N 3.02Å; K77-V80 PolarHBondContact O-N 2.79Å; K77-D81 PolarHBondContact O-N 2.78Å
78R67.9Low59.5Low154 Ų154107.8 Ų107.858%0.58158%0.578SS**Hα-helixtrans-64-46.2174-70.4172.6-152.6174.48.2111.8E74 Q75 L76 V80 D81 E82E74-R78 WeakPolarHBondContact O-CG 3.41Å; E74-R78 PolarHBondContact O-N 3.18Å; E74-R78 IonicContact OE2-CZ 3.53Å; E74-R78 IonicContact OE2-NE 3.17Å; E74-R78 PolarHBondContact OE2-NE 3.36Å; E74-R78 IonicContact OE2-NH2 2.66Å; E74-R78 PolarHBondContact OE2-NH2 3.27Å; Q75-R78 PolarHBondContact O-N 3.18Å; L76-R78 PolarHBondContact O-N 2.83Å; R78-V80 VanDerWaalsContact C-N 3.31Å; R78-V80 PolarHBondContact O-N 2.82Å; R78-D81 PolarHBondContact O-N 3.35Å; R78-E82 WeakPolarHBondContact O-CB 3.47Å; R78-E82 WeakPolarHBondContact O-CG 3.39Å; R78-E82 PolarHBondContact O-N 3.34Å
79Q67.7Low61.6Low101 Ų101108 Ų10847%0.47256%0.562SS.*Hα-helixtrans-60-39.8174.6-73-179-29.800112.3Q75 L76 E82 H83Q75-Q79 PolarHBondContact O-N 3.49Å; L76-Q79 PolarHBondContact O-N 3.35Å; Q79-E82 PolarHBondContact O-N 2.9Å; Q79-H83 WeakPolarHBondContact O-CB 3.28Å; Q79-H83 PolarHBondContact O-CD2 2.68Å; Q79-H83 VanDerWaalsContact O-CD2 3.23Å; Q79-H83 PolarHBondContact O-N 3.25Å
80V67.2Low63Low86 Ų86103.5 Ų103.552%0.52154%0.537SS..Hα-helixtrans-63.4-44.2175.2166.50000111.2L76 K77 R78 R84L76-V80 WeakPolarHBondContact O-CB 3.38Å; L76-V80 VanDerWaalsContact O-CG2 3.3Å; L76-V80 WeakPolarHBondContact O-CG2 3.25Å; L76-V80 PolarHBondContact O-N 3.16Å; K77-V80 PolarHBondContact O-N 2.79Å; R78-V80 VanDerWaalsContact C-N 3.31Å; R78-V80 PolarHBondContact O-N 2.82Å; V80-R84 WeakPolarHBondContact O-CB 3.24Å; V80-R84 PolarHBondContact O-N 3.07Å
81D73.9Confident64.8Low80 Ų80105.2 Ų105.243%0.42852%0.521SS..Hα-helixtrans-71.6-32177.4-82.1-41.7000113K77 R78 R84 A85K77-D81 PolarHBondContact O-N 2.78Å; R78-D81 PolarHBondContact O-N 3.35Å; D81-R84 PolarHBondContact O-N 3.39Å; D81-R84 IonicContact OD1-NH1 2.69Å; D81-A85 WeakPolarHBondContact O-CB 3.48Å; D81-A85 PolarHBondContact O-N 2.92Å
82E72.6Confident66.3Low132 Ų132110.2 Ų110.262%0.61753%0.529SS*.Hα-helixtrans-64.8-49.6170-75.9175.8164.300111.7R78 Q79 R84 A85 A86R78-E82 WeakPolarHBondContact O-CB 3.47Å; R78-E82 WeakPolarHBondContact O-CG 3.39Å; R78-E82 PolarHBondContact O-N 3.34Å; Q79-E82 PolarHBondContact O-N 2.9Å; E82-R84 PolarHBondContact O-N 2.97Å; E82-A85 WeakPolarHBondContact O-CB 3.29Å; E82-A85 PolarHBondContact O-N 3.17Å; E82-A85 VanDerWaalsContact O-N 3.12Å; E82-A86 WeakPolarHBondContact O-CB 3.38Å; E82-A86 PolarHBondContact O-N 3.16Å
83H69.5Low67.4Low141 Ų141112.5 Ų112.565%0.65352%0.524SS*.Hα-helixtrans-59.5-35.7172.8-86.6-72.9000111.8Q79 F87Q79-H83 WeakPolarHBondContact O-CB 3.28Å; Q79-H83 PolarHBondContact O-CD2 2.68Å; Q79-H83 VanDerWaalsContact O-CD2 3.23Å; Q79-H83 PolarHBondContact O-N 3.25Å; H83-F87 VanDerWaalsContact O-CB 3.26Å; H83-F87 WeakPolarHBondContact O-CB 3.21Å; H83-F87 PolarHBondContact O-N 2.87Å
84R72.1Confident68.1Low148 Ų148108.7 Ų108.756%0.55852%0.518SS*.Hα-helixtrans-71.1-32.7176.2-165.1178.3-166.9-1586.5112.5V80 D81 E82 K88V80-R84 WeakPolarHBondContact O-CB 3.24Å; V80-R84 PolarHBondContact O-N 3.07Å; D81-R84 PolarHBondContact O-N 3.39Å; D81-R84 IonicContact OD1-NH1 2.69Å; E82-R84 PolarHBondContact O-N 2.97Å; R84-K88 WeakPolarHBondContact O-CB 3.33Å; R84-K88 VanDerWaalsContact O-CG 3.26Å; R84-K88 WeakPolarHBondContact O-CG 3.44Å; R84-K88 PolarHBondContact O-N 3.31Å; R84-K88 VanDerWaalsContact O-N 3.08Å
85A73.6Confident68.8Low53 Ų53111 Ų11144%0.43852%0.524SS..Hα-helixtrans-69.3-48.9171.200000111.1D81 E82 F87 K88 Q89D81-A85 WeakPolarHBondContact O-CB 3.48Å; D81-A85 PolarHBondContact O-N 2.92Å; E82-A85 WeakPolarHBondContact O-CB 3.29Å; E82-A85 PolarHBondContact O-N 3.17Å; E82-A85 VanDerWaalsContact O-N 3.12Å; A85-F87 VanDerWaalsContact C-N 3.35Å; A85-F87 PolarHBondContact O-N 2.85Å; A85-K88 WeakPolarHBondContact O-CB 3.48Å; A85-K88 PolarHBondContact O-N 2.97Å; A85-Q89 PolarHBondContact O-N 3.49Å
86A69.3Low69.5Low62 Ų62111.9 Ų111.951%0.51253%0.526SS..Hα-helixtrans-58.1-44.2175.600000111.9E82 Q89 G90E82-A86 WeakPolarHBondContact O-CB 3.38Å; E82-A86 PolarHBondContact O-N 3.16Å; A86-Q89 PolarHBondContact O-N 3.47Å; A86-G90 PolarHBondContact O-N 2.92Å
87F67.1Low69.9Low149 Ų149115.9 Ų115.965%0.65454%0.536SS*.Hα-helixtrans-62.9-44.4175.3-176-92.5000112.3H83 A85 Q89 G90 Y91H83-F87 VanDerWaalsContact O-CB 3.26Å; H83-F87 WeakPolarHBondContact O-CB 3.21Å; H83-F87 PolarHBondContact O-N 2.87Å; A85-F87 VanDerWaalsContact C-N 3.35Å; A85-F87 PolarHBondContact O-N 2.85Å; F87-Q89 VanDerWaalsContact C-N 3.26Å; F87-Q89 PolarHBondContact O-N 2.84Å; F87-G90 PolarHBondContact O-N 3.47Å; F87-Y91 HydrophobicContact CE1-CD2 4.49Å; F87-Y91 WeakPolarHBondContact O-CB 3.43Å; F87-Y91 PolarHBondContact O-N 3.32Å
88K73.1Confident69.6Low124 Ų124114.7 Ų114.754%0.53953%0.532SS..Hα-helixtrans-58.9-37.6173.1-78.9172.1178.4178.10111.8R84 A85 R92R84-K88 WeakPolarHBondContact O-CB 3.33Å; R84-K88 VanDerWaalsContact O-CG 3.26Å; R84-K88 WeakPolarHBondContact O-CG 3.44Å; R84-K88 PolarHBondContact O-N 3.31Å; R84-K88 VanDerWaalsContact O-N 3.08Å; A85-K88 WeakPolarHBondContact O-CB 3.48Å; A85-K88 PolarHBondContact O-N 2.97Å; K88-R92 WeakPolarHBondContact O-CG 3.47Å; K88-R92 PolarHBondContact O-N 3.32Å
89Q71.8Confident69.7Low107 Ų107113 Ų11350%0.553%0.53SS..Hα-helixtrans-73.6-41.8179.3-169.4153-1800112.2A85 A86 F87 Y91 R92 Y93A85-Q89 PolarHBondContact O-N 3.49Å; A86-Q89 PolarHBondContact O-N 3.47Å; F87-Q89 VanDerWaalsContact C-N 3.26Å; F87-Q89 PolarHBondContact O-N 2.84Å; Q89-Y91 VanDerWaalsContact C-N 3.35Å; Q89-Y91 PolarHBondContact O-N 3.4Å; Q89-R92 WeakPolarHBondContact O-CB 3.37Å; Q89-R92 PolarHBondContact O-N 2.96Å; Q89-Y93 HydrophobicContact CG-CD2 4.33Å; Q89-Y93 HydrophobicContact CG-CE2 3.98Å; Q89-Y93 VanDerWaalsContact O-CD2 3.26Å; Q89-Y93 WeakPolarHBondContact O-CD2 3.08Å; Q89-Y93 PolarHBondContact O-N 2.71Å
90G61.6Low69.8Low35 Ų35111.5 Ų111.536%0.36153%0.531SS..Hα-helixtrans-58-44.4169.500000112.4A86 F87 R92 Y93 V94A86-G90 PolarHBondContact O-N 2.92Å; F87-G90 PolarHBondContact O-N 3.47Å; G90-R92 VanDerWaalsContact C-N 3.32Å; G90-R92 PolarHBondContact O-N 3.23Å; G90-Y93 PolarHBondContact O-N 3.44Å; G90-Y93 VanDerWaalsContact O-N 3.12Å; G90-V94 WeakPolarHBondContact O-CG2 3.48Å; G90-V94 PolarHBondContact O-N 3.29Å
91Y68.5Low69.5Low110 Ų110112.4 Ų112.443%0.43153%0.532SS..Hα-helixtrans-63.7-34.6176.6-157.5-87.3000112.6F87 Q89 R95 K799F87-Y91 HydrophobicContact CE1-CD2 4.49Å; F87-Y91 WeakPolarHBondContact O-CB 3.43Å; F87-Y91 PolarHBondContact O-N 3.32Å; Q89-Y91 VanDerWaalsContact C-N 3.35Å; Q89-Y91 PolarHBondContact O-N 3.4Å; Y91-R95 WeakPolarHBondContact O-CB 3.49Å; Y91-R95 PolarHBondContact O-N 3.33Å; Y91-K799 PolarHBondContact OH-NZ 2.77Å
92R74.2Confident69.1Low179 Ų179110.3 Ų110.368%0.67552%0.521SS*.Hα-helixtrans-64.1-41.9171.2-74.1169.1178176.7-2.3112K88 Q89 G90 R95 K96K88-R92 WeakPolarHBondContact O-CG 3.47Å; K88-R92 PolarHBondContact O-N 3.32Å; Q89-R92 WeakPolarHBondContact O-CB 3.37Å; Q89-R92 PolarHBondContact O-N 2.96Å; G90-R92 VanDerWaalsContact C-N 3.32Å; G90-R92 PolarHBondContact O-N 3.23Å; R92-R95 PolarHBondContact O-N 2.94Å; R92-K96 PolarHBondContact O-N 3.15Å
93Y70.3Confident68.9Low140 Ų140109.6 Ų109.655%0.54952%0.517SS..Hα-helixtrans-64.3-45.4174.9-79-67.6000112Q89 G90 R95 K96 Y97Q89-Y93 HydrophobicContact CG-CD2 4.33Å; Q89-Y93 HydrophobicContact CG-CE2 3.98Å; Q89-Y93 VanDerWaalsContact O-CD2 3.26Å; Q89-Y93 WeakPolarHBondContact O-CD2 3.08Å; Q89-Y93 PolarHBondContact O-N 2.71Å; G90-Y93 PolarHBondContact O-N 3.44Å; G90-Y93 VanDerWaalsContact O-N 3.12Å; Y93-R95 VanDerWaalsContact C-N 3.34Å; Y93-R95 PolarHBondContact O-N 3.34Å; Y93-K96 WeakPolarHBondContact O-CB 3.41Å; Y93-K96 PolarHBondContact O-N 2.96Å; Y93-Y97 WeakPolarHBondContact O-CD2 3.46Å; Y93-Y97 PolarHBondContact O-N 3.13Å
94V66.6Low69Low89 Ų89109.3 Ų109.354%0.53951%0.514SS..Hα-helixtrans-59.9-43.7175.4174.20000111.1G90 K96 Y97 Q98G90-V94 WeakPolarHBondContact O-CG2 3.48Å; G90-V94 PolarHBondContact O-N 3.29Å; V94-K96 PolarHBondContact O-N 3.19Å; V94-Y97 PolarHBondContact O-N 2.82Å; V94-Q98 WeakPolarHBondContact O-CB 3.29Å; V94-Q98 PolarHBondContact O-N 3.29Å
95R72.6Confident68.4Low119 Ų119106.5 Ų106.545%0.44951%0.511SS..Hα-helixtrans-63.5-39.3176.8-154.1176.2-167.3179.33.8111.7Y91 R92 Y93 Q99 E802Y91-R95 WeakPolarHBondContact O-CB 3.49Å; Y91-R95 PolarHBondContact O-N 3.33Å; R92-R95 PolarHBondContact O-N 2.94Å; Y93-R95 VanDerWaalsContact C-N 3.34Å; Y93-R95 PolarHBondContact O-N 3.34Å; R95-Q99 VanDerWaalsContact O-CB 3.31Å; R95-Q99 WeakPolarHBondContact O-CB 3.31Å; R95-Q99 PolarHBondContact O-N 3.32Å; R95-E802 IonicContact NH2-OE2 2.66Å; R95-E802 PolarHBondContact NH2-OE2 3.35Å
96K72.3Confident68Low151 Ų151107.8 Ų107.866%0.65751%0.507SS*.Hα-helixtrans-60.4-51.1171.6-97.4-165.5172.3-169.60112.2R92 Y93 V94 Q98 Q99 S100R92-K96 PolarHBondContact O-N 3.15Å; Y93-K96 WeakPolarHBondContact O-CB 3.41Å; Y93-K96 PolarHBondContact O-N 2.96Å; V94-K96 PolarHBondContact O-N 3.19Å; K96-Q98 VanDerWaalsContact C-N 3.34Å; K96-Q98 PolarHBondContact O-N 3.28Å; K96-Q99 PolarHBondContact O-N 2.86Å; K96-Q99 VanDerWaalsContact O-N 3.16Å; K96-S100 PolarHBondContact O-N 3.38Å; K96-S100 PolarHBondContact O-OG 2.84Å
97Y64.6Low67.7Low177 Ų177107.5 Ų107.569%0.69451%0.505SS*.Hα-helixtrans-61.7-41.1178.6-84.9-68.3000112.4Y93 V94 Q99 S100 L101Y93-Y97 WeakPolarHBondContact O-CD2 3.46Å; Y93-Y97 PolarHBondContact O-N 3.13Å; V94-Y97 PolarHBondContact O-N 2.82Å; Y97-Q99 VanDerWaalsContact C-N 3.31Å; Y97-Q99 PolarHBondContact O-N 2.95Å; Y97-S100 PolarHBondContact O-N 2.7Å; Y97-L101 WeakPolarHBondContact O-CB 3.3Å; Y97-L101 PolarHBondContact O-N 3.15Å
98Q65.1Low67.4Low72 Ų72102.9 Ų102.934%0.33649%0.492SS..Hα-helixtrans-59.9-42.7174.7-168173.814.800110.8V94 K96 L101 I102V94-Q98 WeakPolarHBondContact O-CB 3.29Å; V94-Q98 PolarHBondContact O-N 3.29Å; K96-Q98 VanDerWaalsContact C-N 3.34Å; K96-Q98 PolarHBondContact O-N 3.28Å; Q98-L101 PolarHBondContact O-N 2.7Å; Q98-I102 HydrophobicContact CG-CD1 4.29Å; Q98-I102 VanDerWaalsContact O-CD1 3.32Å; Q98-I102 WeakPolarHBondContact O-CD1 3.41Å; Q98-I102 VanDerWaalsContact O-CG1 3.26Å; Q98-I102 WeakPolarHBondContact O-CG1 3.48Å; Q98-I102 PolarHBondContact O-N 3.41Å
99Q69.7Low66.4Low118 Ų11899.3 Ų99.355%0.55149%0.485SS*.Hα-helixtrans-71.7-36.8179.8-158.4161.81600113.2R95 K96 Y97 I102 Q103R95-Q99 VanDerWaalsContact O-CB 3.31Å; R95-Q99 WeakPolarHBondContact O-CB 3.31Å; R95-Q99 PolarHBondContact O-N 3.32Å; K96-Q99 PolarHBondContact O-N 2.86Å; K96-Q99 VanDerWaalsContact O-N 3.16Å; Y97-Q99 VanDerWaalsContact C-N 3.31Å; Y97-Q99 PolarHBondContact O-N 2.95Å; Q99-I102 PolarHBondContact O-N 3.24Å; Q99-Q103 WeakPolarHBondContact O-CG 3.46Å; Q99-Q103 PolarHBondContact O-N 3.42Å
100S69.4Low65.8Low69 Ų6998.1 Ų98.148%0.48348%0.479SS..Hα-helixtrans-69-31.7170.8-62.80000113K96 Y97 F104K96-S100 PolarHBondContact O-N 3.38Å; K96-S100 PolarHBondContact O-OG 2.84Å; Y97-S100 PolarHBondContact O-N 2.7Å; S100-F104 WeakPolarHBondContact O-CB 3.39Å; S100-F104 PolarHBondContact O-N 3.29Å
101L62.2Low65.8Low105 Ų105102.9 Ų102.955%0.5549%0.49SS..Hα-helixtrans-71.1-36.7173.9-168.571.4000111.6Y97 Q98 F104 N105Y97-L101 WeakPolarHBondContact O-CB 3.3Å; Y97-L101 PolarHBondContact O-N 3.15Å; Q98-L101 PolarHBondContact O-N 2.7Å; L101-F104 PolarHBondContact O-N 3.49Å; L101-N105 WeakPolarHBondContact O-CB 3.43Å; L101-N105 PolarHBondContact O-N 2.85Å; L101-N105 PolarHBondContact O-ND2 3.24Å
102I64.9Low64.8Low37 Ų3799.9 Ų99.919%0.1949%0.488CS..Hα-helixtrans-59.8-54.3169.9-70154.7000109.4Q98 Q99 F104 N105 E106 M803Q98-I102 HydrophobicContact CG-CD1 4.29Å; Q98-I102 VanDerWaalsContact O-CD1 3.32Å; Q98-I102 WeakPolarHBondContact O-CD1 3.41Å; Q98-I102 VanDerWaalsContact O-CG1 3.26Å; Q98-I102 WeakPolarHBondContact O-CG1 3.48Å; Q98-I102 PolarHBondContact O-N 3.41Å; Q99-I102 PolarHBondContact O-N 3.24Å; I102-F104 VanDerWaalsContact C-N 3.28Å; I102-F104 PolarHBondContact O-N 3.02Å; I102-N105 CarbonylContact O-C 3.57Å; I102-N105 PolarHBondContact O-N 3.1Å; I102-E106 HydrophobicContact CG2-CG 4.16Å; I102-E106 WeakPolarHBondContact O-CG 3.19Å; I102-E106 PolarHBondContact O-N 2.78Å; I102-M803 HydrophobicContact CD1-CE 3.36Å; I102-M803 HydrophobicContact CD1-CG 4.34Å; I102-M803 HydrophobicContact CD1-SD 3.57Å; I102-M803 VanDerWaalsContact CD1-SD 3.57Å; I102-M803 HydrophobicContact CG1-CE 4.15Å; I102-M803 HydrophobicContact CG1-SD 3.88Å; I102-M803 HydrophobicContact CG2-CG 4.3Å; I102-M803 HydrophobicContact CG2-SD 3.84Å
103Q69.2Low63.4Low116 Ų11696.8 Ų96.854%0.54248%0.483SS..Hα-helixtrans-58.6-35.8177.9-73177.4-29.500113.6Q99 E106 A107Q99-Q103 WeakPolarHBondContact O-CG 3.46Å; Q99-Q103 PolarHBondContact O-N 3.42Å; Q103-E106 WeakPolarHBondContact CA-OE2 3.24Å; Q103-A107 WeakPolarHBondContact O-CB 3.4Å; Q103-A107 PolarHBondContact O-N 2.81Å
104F70.8Confident62.3Low135 Ų13595.4 Ų95.459%0.59248%0.481SS*.Hα-helixtrans-67.2-40.7174.1179.6-94.2000112.2S100 L101 I102 S108S100-F104 WeakPolarHBondContact O-CB 3.39Å; S100-F104 PolarHBondContact O-N 3.29Å; L101-F104 PolarHBondContact O-N 3.49Å; I102-F104 VanDerWaalsContact C-N 3.28Å; I102-F104 PolarHBondContact O-N 3.02Å; F104-S108 VanDerWaalsContact O-CB 3.22Å; F104-S108 WeakPolarHBondContact O-CB 3.46Å; F104-S108 PolarHBondContact O-N 3.16Å; F104-S108 PolarHBondContact O-OG 2.86Å
105N58.7Low61.2Low90 Ų9097.4 Ų97.448%0.48149%0.488SS..Hα-helixtrans-70.9-39.9176.8-69.4-20.7000111.8L101 I102 S108 A109L101-N105 WeakPolarHBondContact O-CB 3.43Å; L101-N105 PolarHBondContact O-N 2.85Å; L101-N105 PolarHBondContact O-ND2 3.24Å; I102-N105 CarbonylContact O-C 3.57Å; I102-N105 PolarHBondContact O-N 3.1Å; N105-S108 PolarHBondContact O-N 2.88Å; N105-A109 VanDerWaalsContact O-CB 3.27Å; N105-A109 WeakPolarHBondContact O-CB 3.25Å; N105-A109 PolarHBondContact O-N 3Å
106E65.1Low60Low79 Ų7995.9 Ų95.937%0.36949%0.492SS..Hα-helixtrans-60.4-52.8172.7-71.7172.4142.100110.6I102 Q103 S108 A109 E110I102-E106 HydrophobicContact CG2-CG 4.16Å; I102-E106 WeakPolarHBondContact O-CG 3.19Å; I102-E106 PolarHBondContact O-N 2.78Å; Q103-E106 WeakPolarHBondContact CA-OE2 3.24Å; E106-S108 VanDerWaalsContact C-N 3.26Å; E106-S108 PolarHBondContact O-N 2.77Å; E106-A109 CarbonylContact O-C 3.56Å; E106-A109 PolarHBondContact O-N 2.96Å; E106-A109 VanDerWaalsContact O-N 3.1Å; E106-E110 WeakPolarHBondContact O-CB 3.49Å; E106-E110 PolarHBondContact O-N 3.01Å
107A63.6Low58.7Low56 Ų5695.7 Ų95.746%0.46350%0.498SS..Hα-helixtrans-63.4-31.4177.400000112.6Q103 K111Q103-A107 WeakPolarHBondContact O-CB 3.4Å; Q103-A107 PolarHBondContact O-N 2.81Å; A107-K111 WeakPolarHBondContact O-CB 3.26Å; A107-K111 PolarHBondContact O-N 2.93Å
108S61.3Low57.6Low53 Ų5393.9 Ų93.937%0.37150%0.499SS..Hα-helixtrans-72.4-36.2173.4-61.70000112.2F104 N105 E106 A112F104-S108 VanDerWaalsContact O-CB 3.22Å; F104-S108 WeakPolarHBondContact O-CB 3.46Å; F104-S108 PolarHBondContact O-N 3.16Å; F104-S108 PolarHBondContact O-OG 2.86Å; N105-S108 PolarHBondContact O-N 2.88Å; E106-S108 VanDerWaalsContact C-N 3.26Å; E106-S108 PolarHBondContact O-N 2.77Å; S108-A112 VanDerWaalsContact O-CB 3.23Å; S108-A112 WeakPolarHBondContact O-CB 3.35Å; S108-A112 PolarHBondContact O-N 2.82Å
109A51.9Low56.2Low48 Ų4894.3 Ų94.340%0.39752%0.523SS..Hα-helixtrans-74.6-40.4176.800000112.1N105 E106 A112 M113N105-A109 VanDerWaalsContact O-CB 3.27Å; N105-A109 WeakPolarHBondContact O-CB 3.25Å; N105-A109 PolarHBondContact O-N 3Å; E106-A109 CarbonylContact O-C 3.56Å; E106-A109 PolarHBondContact O-N 2.96Å; E106-A109 VanDerWaalsContact O-N 3.1Å; A109-A112 PolarHBondContact O-N 3.32Å; A109-M113 HydrophobicContact CB-CE 4.46Å; A109-M113 WeakPolarHBondContact O-CB 3.38Å; A109-M113 WeakPolarHBondContact O-CE 3.48Å; A109-M113 WeakPolarHBondContact O-CG 3.29Å; A109-M113 PolarHBondContact O-N 2.85Å
110E59.8Low54.5Low83 Ų8391.6 Ų91.639%0.38853%0.527SS..Hα-helixtrans-62.7-46.3172.7-169.3170.1-151.200109.9E106 A112 M113 E114 R814E106-E110 WeakPolarHBondContact O-CB 3.49Å; E106-E110 PolarHBondContact O-N 3.01Å; E110-A112 VanDerWaalsContact C-N 3.33Å; E110-A112 PolarHBondContact O-N 3.08Å; E110-M113 CarbonylContact O-C 3.59Å; E110-M113 PolarHBondContact O-N 2.88Å; E110-M113 VanDerWaalsContact O-N 3.14Å; E110-E114 WeakPolarHBondContact O-CG 3.24Å; E110-E114 PolarHBondContact O-N 2.85Å; E110-R814 IonicContact OE1-CZ 2.65Å; E110-R814 IonicContact OE1-NH1 3.68Å; E110-R814 PolarHBondContact OE1-NH1 2.88Å; E110-R814 IonicContact OE1-NH2 3.04Å
111K60.1Low52.8Low135 Ų13597 Ų9759%0.58754%0.544SS*.Hα-helixtrans-66-31.3175-168.3169.4-171.7171.50113.7A107 L115A107-K111 WeakPolarHBondContact O-CB 3.26Å; A107-K111 PolarHBondContact O-N 2.93Å; K111-L115 WeakPolarHBondContact O-CB 3.25Å; K111-L115 WeakPolarHBondContact O-CG 3.39Å; K111-L115 PolarHBondContact O-N 3.29Å
112A47.8Very low51.4Low47 Ų4797.9 Ų97.939%0.38856%0.556SS.*Hα-helixtrans-70.1-39.317100000111.6S108 A109 E110 L115 T116S108-A112 VanDerWaalsContact O-CB 3.23Å; S108-A112 WeakPolarHBondContact O-CB 3.35Å; S108-A112 PolarHBondContact O-N 2.82Å; A109-A112 PolarHBondContact O-N 3.32Å; E110-A112 VanDerWaalsContact C-N 3.33Å; E110-A112 PolarHBondContact O-N 3.08Å; A112-L115 PolarHBondContact O-N 3.14Å; A112-T116 WeakPolarHBondContact O-CB 3.49Å; A112-T116 PolarHBondContact O-N 3.26Å; A112-T116 PolarHBondContact O-OG1 3.22Å
113M45.9Very low49.8Very low114 Ų114101.6 Ų101.656%0.56258%0.581SS**Hα-helixtrans-66.6-40.6173.3-75.9-176.1-79.300111.9A109 E110 T116 L117A109-M113 HydrophobicContact CB-CE 4.46Å; A109-M113 WeakPolarHBondContact O-CB 3.38Å; A109-M113 WeakPolarHBondContact O-CE 3.48Å; A109-M113 WeakPolarHBondContact O-CG 3.29Å; A109-M113 PolarHBondContact O-N 2.85Å; E110-M113 CarbonylContact O-C 3.59Å; E110-M113 PolarHBondContact O-N 2.88Å; E110-M113 VanDerWaalsContact O-N 3.14Å; M113-T116 CarbonylContact O-C 3.53Å; M113-T116 PolarHBondContact O-N 2.98Å; M113-T116 VanDerWaalsContact O-N 3.14Å; M113-L117 WeakPolarHBondContact O-CB 3.45Å; M113-L117 VanDerWaalsContact O-CG 3.3Å; M113-L117 WeakPolarHBondContact O-CG 3.5Å; M113-L117 PolarHBondContact O-N 3.25Å
114E47.4Very low47.9Very low111 Ų111102.2 Ų102.252%0.51959%0.593SS.*Hα-helixtrans-59-48.5170.5-73.3-172.3139.200111.4E110 T116 L117 L118E110-E114 WeakPolarHBondContact O-CG 3.24Å; E110-E114 PolarHBondContact O-N 2.85Å; E114-T116 PolarHBondContact O-N 3.37Å; E114-L117 PolarHBondContact O-N 3.27Å; E114-L117 VanDerWaalsContact O-N 3.1Å; E114-L118 HydrophobicContact CB-CD1 4.36Å; E114-L118 WeakPolarHBondContact O-CB 3.21Å; E114-L118 VanDerWaalsContact O-CG 3.3Å; E114-L118 WeakPolarHBondContact O-CG 3.48Å; E114-L118 PolarHBondContact O-N 3.36Å
115L43.6Very low46.2Very low131 Ų131101.9 Ų101.969%0.68661%0.607SS**Hα-helixtrans-61.4-27.4174.7-79.6165.3000113.2K111 A112K111-L115 WeakPolarHBondContact O-CB 3.25Å; K111-L115 WeakPolarHBondContact O-CG 3.39Å; K111-L115 PolarHBondContact O-N 3.29Å; A112-L115 PolarHBondContact O-N 3.14Å
116T46.8Very low45Very low87 Ų87102 Ų10253%0.53461%0.611SS.*Hα-helixtrans-83.2-23.7176.1-530000112.5A112 M113 E114 L165A112-T116 WeakPolarHBondContact O-CB 3.49Å; A112-T116 PolarHBondContact O-N 3.26Å; A112-T116 PolarHBondContact O-OG1 3.22Å; M113-T116 CarbonylContact O-C 3.53Å; M113-T116 PolarHBondContact O-N 2.98Å; M113-T116 VanDerWaalsContact O-N 3.14Å; E114-T116 PolarHBondContact O-N 3.37Å; T116-L165 HydrophobicContact CG2-CD2 3.9Å
117L44.5Very low43.4Very low147 Ų147104 Ų10477%0.7763%0.631SS**Hα-helixtrans-95.7-19.1-179.7-73.1166.8000114.1M113 E114 G119M113-L117 WeakPolarHBondContact O-CB 3.45Å; M113-L117 VanDerWaalsContact O-CG 3.3Å; M113-L117 WeakPolarHBondContact O-CG 3.5Å; M113-L117 PolarHBondContact O-N 3.25Å; E114-L117 PolarHBondContact O-N 3.27Å; E114-L117 VanDerWaalsContact O-N 3.1Å; L117-G119 VanDerWaalsContact C-N 3.34Å; L117-G119 PolarHBondContact O-N 2.85Å
118L41.6Very low41.9Very low138 Ų138109.1 Ų109.172%0.72365%0.65SS**  trans-86.14-177.7-75.5166.2000115E114 G120E114-L118 HydrophobicContact CB-CD1 4.36Å; E114-L118 WeakPolarHBondContact O-CB 3.21Å; E114-L118 VanDerWaalsContact O-CG 3.3Å; E114-L118 WeakPolarHBondContact O-CG 3.48Å; E114-L118 PolarHBondContact O-N 3.36Å; L118-G120 PolarHBondContact O-N 3.31Å
119G35.1Very low40.6Very low81 Ų81114.9 Ų114.984%0.83567%0.669SS**  trans-74.133.5177.900000115.8L117L117-G119 VanDerWaalsContact C-N 3.34Å; L117-G119 PolarHBondContact O-N 2.85Å
120G34.7Very low39.9Very low62 Ų62119.8 Ų119.864%0.63969%0.688SS**  trans-160.891.3-172.100000115.9L118L118-G120 PolarHBondContact O-N 3.31Å
121H34.1Very low38.6Very low183 Ų183122.2 Ų122.285%0.84771%0.708SS**  trans-63.4135.8154.6-80.4-69000109.2
122P31.5Very low37.2Very low123 Ų123121 Ų12180%0.79972%0.717SS**  -129.2163.385.138.2-31.3000114.3
123T31.5Very low36.6Very low115 Ų115124.3 Ų124.371%0.70673%0.732SS**  trans-69.3137.8174.5460000112.7
124T30.1Very low35.8Very low129 Ų129125.9 Ų125.979%0.79174%0.743SS**  trans56.192.4152.258.10000118.8
125S34.3Very low35Very low128 Ų128125.6 Ų125.690%0.89575%0.753SS**  -178.2156.3126.237.30000111.1
126T35.3Very low34.3Very low93 Ų93124.3 Ų124.357%0.57176%0.755SS**  trans-92.1154.3179.921.60000112.2R829T126-R829 PolarHBondContact OG1-NH1 3.09Å
127P31.5Very low33.6Very low121 Ų121124.8 Ų124.879%0.78676%0.762SS**  trans-83.1157.6-162.833.4-37.5000114
128N31.8Very low32.9Very low162 Ų162126.5 Ų126.587%0.86676%0.763SS**  trans-134.9152.8153.5-160.11.9000109.8
129K34.3Very low32.5Very low175 Ų175126.4 Ų126.476%0.76176%0.763SS**  trans-110.8171-174.3-78.3-177.6174.5176.60111.8
130N36Very low32.4Very low151 Ų151129.6 Ų129.681%0.80776%0.761SS**  trans83.1145.6168.1-50.9-23.2000115.2
131V32.3Very low32.3Very low133 Ų133131.5 Ų131.581%0.80676%0.764SS**  cis176.9166.5-30.3125.30000105.5
132S32.1Very low32.3Very low110 Ų110127.7 Ų127.777%0.76976%0.759SS**  trans82.6138.7170.2-158.40000115.6
133V33.5Very low32.5Very low117 Ų117129 Ų12971%0.70976%0.756SS**  cis-172.8166.3-32.4118.20000107.8
134D28.9Very low32.7Very low146 Ų146129.3 Ų129.378%0.78175%0.753SS**  trans74.4152.1163.7-80.3-23.1000122.5
135S30.9Very low33.1Very low105 Ų105130.4 Ų130.473%0.73475%0.747SS**  trans56.5102161.5-58.90000118.7
136S29.6Very low33.2Very low104 Ų104133.7 Ų133.773%0.72775%0.748SS**  91.6134.453.778.50000115.8
137S31.2Very low33Very low97 Ų97134.7 Ų134.768%0.67876%0.759SS**  trans79.6149.3163.577.60000121.1
138F30.5Very low33.2Very low183 Ų183132.4 Ų132.480%0.80375%0.746SS**  trans60.9126.4176.3-58.4-85.6000117.7
139L33.7Very low33.6Very low136 Ų136130.3 Ų130.371%0.71274%0.741SS**  cis88.6117.332.2-67.8171.7000115.9
140N32.9Very low34Very low148 Ų148125.4 Ų125.479%0.79173%0.733SS**  trans68.9155.9154.5-58-14.7000117.6
141S33.3Very low34.4Very low102 Ų102121.2 Ų121.271%0.71372%0.719SS**  cis177.6160.4-18.958.60000108.3
142S33.1Very low34.8Very low104 Ų104118.1 Ų118.173%0.72771%0.708SS**  cis-171.4153.8-3.9-113.40000110.8
143M36.6Very low35.3Very low149 Ų149116.2 Ų116.273%0.73470%0.699SS**  trans64.9165.4164.1-61.5-167.2177.500117.1K145M143-K145 PolarHBondContact SD-NZ 3.37Å
144D35.5Very low35.8Very low122 Ų122113.7 Ų113.765%0.65269%0.69SS**  cis-131.6133.57.4-100-55.3000109.7
145K38.5Very low36.5Very low153 Ų153109.3 Ų109.367%0.66568%0.675SS**  88.1141.674.9-78.7-162.5-156.296.90116.6M143M143-K145 PolarHBondContact SD-NZ 3.37Å
146Q35Very low37.2Very low196 Ų196107.3 Ų107.392%0.91666%0.664SS**  trans88122.1-178.1-53.2-175.415.800113.5
147S32.7Very low37.9Very low114 Ų114105 Ų10580%0.79765%0.651SS**  cis-158-17630.359.60000113.9
148S35.5Very low38.5Very low73 Ų73102.8 Ų102.851%0.5164%0.639SS.*  trans71.7112.8170.9-166.40000119.6A150S148-A150 VanDerWaalsContact C-N 3.3Å; S148-A150 PolarHBondContact O-N 3.16Å; S148-A150 PolarHBondContact OG-N 2.8Å
149P39.6Very low39.2Very low119 Ų119103.8 Ų103.877%0.77364%0.638SS**Hα-helixtrans-65.9-24.2171.2-2234.1000115.1A151 A152P149-A151 VanDerWaalsContact C-N 3.35Å; P149-A151 PolarHBondContact O-N 3.4Å; P149-A152 PolarHBondContact O-N 3.13Å
150A42.3Very low39.7Very low71 Ų71101.7 Ų101.759%0.58762%0.624SS**Hα-helixtrans-67.3-34.8-17400000112.7S148 A152 A153 A154S148-A150 VanDerWaalsContact C-N 3.3Å; S148-A150 PolarHBondContact O-N 3.16Å; S148-A150 PolarHBondContact OG-N 2.8Å; A150-A152 VanDerWaalsContact C-N 3.33Å; A150-A152 PolarHBondContact O-N 2.83Å; A150-A153 PolarHBondContact O-N 3.2Å; A150-A154 PolarHBondContact O-N 3.34Å
151A44.5Very low40.2Very low63 Ų63101 Ų10152%0.52162%0.616SS.*Hα-helixtrans-65.2-35.6179.500000112.5P149 A154 A155P149-A151 VanDerWaalsContact C-N 3.35Å; P149-A151 PolarHBondContact O-N 3.4Å; A151-A154 PolarHBondContact O-N 2.8Å; A151-A155 WeakPolarHBondContact O-CB 3.32Å; A151-A155 PolarHBondContact O-N 2.85Å
152A41.6Very low40.5Very low69 Ų69103 Ų10357%0.5761%0.614SS**Hα-helixtrans-67.2-38.5179.400000112.4P149 A150 A156P149-A152 PolarHBondContact O-N 3.13Å; A150-A152 VanDerWaalsContact C-N 3.33Å; A150-A152 PolarHBondContact O-N 2.83Å; A152-A156 WeakPolarHBondContact O-CB 3.16Å; A152-A156 PolarHBondContact O-N 3.05Å
153A42.7Very low41.1Very low69 Ų6999.5 Ų99.557%0.5759%0.592SS**Hα-helixtrans-67.6-40.4176.100000112.2A150 A157A150-A153 PolarHBondContact O-N 3.2Å; A153-A157 PolarHBondContact O-N 2.66Å; A153-A157 VanDerWaalsContact O-N 3.13Å
154A43.4Very low41.4Very low65 Ų6595.2 Ų95.254%0.53757%0.571SS.*Hα-helixtrans-66.8-43.3175.800000112.3A150 A151 A156 A157 A158A150-A154 PolarHBondContact O-N 3.34Å; A151-A154 PolarHBondContact O-N 2.8Å; A154-A156 VanDerWaalsContact C-N 3.34Å; A154-A156 PolarHBondContact O-N 2.85Å; A154-A157 PolarHBondContact O-N 3.07Å; A154-A158 PolarHBondContact O-N 2.92Å
155A44.4Very low41.8Very low54 Ų5493.6 Ų93.645%0.44656%0.562SS.*Hα-helixtrans-64.1-37.917700000112.6A151 W159A151-A155 WeakPolarHBondContact O-CB 3.32Å; A151-A155 PolarHBondContact O-N 2.85Å; A155-W159 PolarHBondContact O-N 3.33Å; A155-W159 VanDerWaalsContact O-N 3.12Å
156A45.6Very low42.3Very low62 Ų6289.5 Ų89.551%0.51255%0.553SS.*Hα-helixtrans-64.3-42.1174.200000112.2A152 A154 E160A152-A156 WeakPolarHBondContact O-CB 3.16Å; A152-A156 PolarHBondContact O-N 3.05Å; A154-A156 VanDerWaalsContact C-N 3.34Å; A154-A156 PolarHBondContact O-N 2.85Å; A156-E160 WeakPolarHBondContact O-CB 3.37Å; A156-E160 PolarHBondContact O-N 2.86Å; A156-E160 VanDerWaalsContact O-N 3.07Å
157A44.5Very low42.9Very low55 Ų5583 Ų8346%0.45552%0.522SS..Hα-helixtrans-63.1-46.8176.100000112.1A153 A154 W159 E160 E161A153-A157 PolarHBondContact O-N 2.66Å; A153-A157 VanDerWaalsContact O-N 3.13Å; A154-A157 PolarHBondContact O-N 3.07Å; A157-W159 PolarHBondContact O-N 3.13Å; A157-E160 PolarHBondContact O-N 2.94Å; A157-E160 VanDerWaalsContact O-N 3.07Å; A157-E161 WeakPolarHBondContact O-CB 3.49Å; A157-E161 PolarHBondContact O-N 2.79Å
158A43.2Very low43.7Very low51 Ų5179.8 Ų79.842%0.42150%0.501SS..Hα-helixtrans-62-41179.700000113A154 E160 E161 Q162A154-A158 PolarHBondContact O-N 2.92Å; A158-E160 VanDerWaalsContact C-N 3.3Å; A158-E160 PolarHBondContact O-N 3.29Å; A158-E161 PolarHBondContact O-N 2.9Å; A158-Q162 WeakPolarHBondContact O-CB 3.48Å; A158-Q162 PolarHBondContact O-N 3.32Å
159W45.1Very low44.5Very low205 Ų20579 Ų7978%0.77750%0.495SS*.Hα-helixtrans-67-30.3173.3-92.174.7000113.1A155 A157 A163A155-W159 PolarHBondContact O-N 3.33Å; A155-W159 VanDerWaalsContact O-N 3.12Å; A157-W159 PolarHBondContact O-N 3.13Å; W159-A163 VanDerWaalsContact O-CB 3.28Å; W159-A163 WeakPolarHBondContact O-CB 3.39Å; W159-A163 PolarHBondContact O-N 3.17Å
160E44.3Very low45.1Very low91 Ų9177.7 Ų77.743%0.42548%0.481SS..Hα-helixtrans-75.6-36.2178.3-169.4160.3-154.400112.3A156 A157 A158 D164 R270A156-E160 WeakPolarHBondContact O-CB 3.37Å; A156-E160 PolarHBondContact O-N 2.86Å; A156-E160 VanDerWaalsContact O-N 3.07Å; A157-E160 PolarHBondContact O-N 2.94Å; A157-E160 VanDerWaalsContact O-N 3.07Å; A158-E160 VanDerWaalsContact C-N 3.3Å; A158-E160 PolarHBondContact O-N 3.29Å; E160-D164 PolarHBondContact O-N 3.34Å; E160-R270 IonicContact OE1-CZ 3.18Å; E160-R270 IonicContact OE1-NE 2.89Å; E160-R270 PolarHBondContact OE1-NE 3.14Å; E160-R270 IonicContact OE1-NH2 2.66Å; E160-R270 PolarHBondContact OE1-NH2 3.23Å
161E43.8Very low45.7Very low135 Ų13576.7 Ų76.763%0.63146%0.462SS*.Hα-helixtrans-70.6-44.9176.6-168.8164.7-128.600112A157 A158 A163 D164 L165A157-E161 WeakPolarHBondContact O-CB 3.49Å; A157-E161 PolarHBondContact O-N 2.79Å; A158-E161 PolarHBondContact O-N 2.9Å; E161-A163 VanDerWaalsContact C-N 3.25Å; E161-A163 PolarHBondContact O-N 2.66Å; E161-D164 PolarHBondContact O-N 2.96Å; E161-L165 PolarHBondContact O-N 3.4Å
162Q39.9Very low46.3Very low143 Ų14379.9 Ų79.967%0.66847%0.466SS*.Hα-helixtrans-67.9-25.1176.7-159.9169.828.900112.9A158 D164 S166A158-Q162 WeakPolarHBondContact O-CB 3.48Å; A158-Q162 PolarHBondContact O-N 3.32Å; Q162-D164 VanDerWaalsContact C-N 3.3Å; Q162-S166 PolarHBondContact O-OG 3.1Å
163A45.1Very low46.9Very low31 Ų3180.2 Ų80.226%0.25646%0.464SS..Hα-helixtrans-77.3-10.7172.500000114.2W159 E161 S166 Q167W159-A163 VanDerWaalsContact O-CB 3.28Å; W159-A163 WeakPolarHBondContact O-CB 3.39Å; W159-A163 PolarHBondContact O-N 3.17Å; E161-A163 VanDerWaalsContact C-N 3.25Å; E161-A163 PolarHBondContact O-N 2.66Å; A163-S166 WeakPolarHBondContact CA-OG 3.4Å; A163-S166 PolarHBondContact O-OG 2.85Å; A163-Q167 WeakPolarHBondContact O-CG 3.21Å
164D42.3Very low47.4Very low58 Ų5877.8 Ų77.831%0.3144%0.442SS..Hα-helixtrans-97-40.7177.3-76.3-2.5000111.9E160 E161 Q162 S166 Q167 S168 R270E160-D164 PolarHBondContact O-N 3.34Å; E161-D164 PolarHBondContact O-N 2.96Å; Q162-D164 VanDerWaalsContact C-N 3.3Å; D164-S166 PolarHBondContact O-N 3.2Å; D164-Q167 WeakPolarHBondContact O-CA 3.21Å; D164-Q167 PolarHBondContact O-N 3.33Å; D164-S168 PolarHBondContact O-N 3.16Å; D164-R270 IonicContact OD1-CZ 2.66Å; D164-R270 IonicContact OD1-NH1 3.42Å; D164-R270 PolarHBondContact OD1-NH1 2.83Å; D164-R270 IonicContact OD1-NH2 3.55Å; D164-R270 PolarHBondContact OD1-NH2 2.86Å; D164-R270 IonicContact OD2-CZ 3.5Å; D164-R270 IonicContact OD2-NH1 2.69Å; D164-R270 PolarHBondContact OD2-NH1 2.78Å; D164-R270 IonicContact OD2-NH2 3.4Å; D164-R270 PolarHBondContact OD2-NH2 3.4Å
165L43.9Very low48Very low88 Ų8878.6 Ų78.646%0.46144%0.437SS..Hα-helixtrans-58.2-30.9172.4-69.6167.3000112.8T116 E161 Q167 S168 S169T116-L165 HydrophobicContact CG2-CD2 3.9Å; E161-L165 PolarHBondContact O-N 3.4Å; L165-Q167 VanDerWaalsContact C-N 3.35Å; L165-S168 PolarHBondContact O-OG 3.25Å; L165-S169 PolarHBondContact O-OG 2.89Å; L165-S169 VanDerWaalsContact O-OG 3.1Å
166S48.6Very low48.7Very low67 Ų6778.9 Ų78.947%0.46944%0.439SS..Hα-helixtrans-81.8-917447.20000114Q162 A163 D164Q162-S166 PolarHBondContact O-OG 3.1Å; A163-S166 WeakPolarHBondContact CA-OG 3.4Å; A163-S166 PolarHBondContact O-OG 2.85Å; D164-S166 PolarHBondContact O-N 3.2Å
167Q47.6Very low49.3Very low59 Ų5981.1 Ų81.128%0.27644%0.439SS..Hα-helixtrans-103.4-24.2175.3-69.9-171.4-13.300113.4A163 D164 L165 I263A163-Q167 WeakPolarHBondContact O-CG 3.21Å; D164-Q167 WeakPolarHBondContact O-CA 3.21Å; D164-Q167 PolarHBondContact O-N 3.33Å; L165-Q167 VanDerWaalsContact C-N 3.35Å; Q167-I263 HydrophobicContact CB-CD1 4.26Å; Q167-I263 HydrophobicContact CB-CG1 4.39Å
168S50.7Low49.9Very low48 Ų4880.9 Ų80.934%0.33643%0.43SS..Hα-helixtrans-68.5-50.5169.256.10000111.8D164 L165 L170 R171 E172D164-S168 PolarHBondContact O-N 3.16Å; L165-S168 PolarHBondContact O-OG 3.25Å; S168-L170 VanDerWaalsContact C-N 3.3Å; S168-L170 PolarHBondContact O-N 3Å; S168-R171 WeakPolarHBondContact O-CA 3.4Å; S168-R171 WeakPolarHBondContact O-CB 3.32Å; S168-R171 PolarHBondContact O-N 2.63Å; S168-E172 PolarHBondContact O-N 2.87Å
169S52.5Low50.8Low57 Ų5782.9 Ų82.940%0.39943%0.433SS..Hα-helixtrans-58.6-35.8-178.349.50000113.7L165 E172 S173L165-S169 PolarHBondContact O-OG 2.89Å; L165-S169 VanDerWaalsContact O-OG 3.1Å; S169-E172 PolarHBondContact O-N 2.69Å; S169-S173 VanDerWaalsContact O-CB 3.27Å; S169-S173 WeakPolarHBondContact O-CB 3.4Å; S169-S173 PolarHBondContact O-N 3.49Å
170L51Low51.6Low90 Ų9079.7 Ų79.747%0.47143%0.425SS..Hα-helixtrans-70.5-30.3173.2-114.687.3000113.4S168 L174 M259S168-L170 VanDerWaalsContact C-N 3.3Å; S168-L170 PolarHBondContact O-N 3Å; L170-L174 WeakPolarHBondContact O-CB 3.47Å; L170-L174 PolarHBondContact O-N 2.88Å; L170-M259 HydrophobicContact CB-CE 4.31Å; L170-M259 HydrophobicContact CD2-CE 3.97Å; L170-M259 HydrophobicContact CD2-SD 3.54Å; L170-M259 VanDerWaalsContact CD2-SD 3.54Å
171R54.7Low52.3Low50 Ų5076.8 Ų76.819%0.18941%0.411CS..Hα-helixtrans-70.7-41.4172.4-79.3-178.5159.8-173.2-3.4111.5S168 N175 W260 I263 N264S168-R171 WeakPolarHBondContact O-CA 3.4Å; S168-R171 WeakPolarHBondContact O-CB 3.32Å; S168-R171 PolarHBondContact O-N 2.63Å; R171-N175 VanDerWaalsContact O-CB 3.31Å; R171-N175 WeakPolarHBondContact O-CB 3.34Å; R171-N175 PolarHBondContact O-N 3.4Å; R171-W260 VanDerWaalsContact NH2-CZ3 3.28Å; R171-I263 HydrophobicContact CG-CD1 4.07Å; R171-I263 VanDerWaalsContact CZ-CG2 3.45Å; R171-N264 PolarHBondContact NH2-OD1 3.38Å
172E58.5Low53.2Low131 Ų13175.1 Ų75.161%0.61240%0.403SS*.Hα-helixtrans-67.6-47.1179.3-71.2171.2172.100111.6S168 S169 L174 N175 A176S168-E172 PolarHBondContact O-N 2.87Å; S169-E172 PolarHBondContact O-N 2.69Å; E172-L174 VanDerWaalsContact C-N 3.35Å; E172-L174 PolarHBondContact O-N 2.81Å; E172-N175 PolarHBondContact O-N 2.9Å; E172-A176 WeakPolarHBondContact O-CB 3.3Å; E172-A176 PolarHBondContact O-N 3Å
173S53.8Low54.5Low76 Ų7674.8 Ų74.853%0.53140%0.396SS..Hα-helixtrans-53.5-48.6174.1169.50000112.2S169 A176 E177S169-S173 VanDerWaalsContact O-CB 3.27Å; S169-S173 WeakPolarHBondContact O-CB 3.4Å; S169-S173 PolarHBondContact O-N 3.49Å; S173-A176 WeakPolarHBondContact O-CB 3.33Å; S173-A176 PolarHBondContact O-N 3.26Å; S173-E177 PolarHBondContact O-N 2.88Å
174L51.9Low55.7Low18 Ų1876.8 Ų76.89%0.09440%0.397CS..Hα-helixtrans-78.6-25.9-176.2-168.149.2000112.9L170 E172 E177 L178 N256 M259L170-L174 WeakPolarHBondContact O-CB 3.47Å; L170-L174 PolarHBondContact O-N 2.88Å; E172-L174 VanDerWaalsContact C-N 3.35Å; E172-L174 PolarHBondContact O-N 2.81Å; L174-E177 HydrophobicContact CD1-CB 4.4Å; L174-E177 VanDerWaalsContact CD1-OE2 3.25Å; L174-E177 WeakPolarHBondContact CD1-OE2 3.42Å; L174-L178 WeakPolarHBondContact O-CB 3.41Å; L174-L178 WeakPolarHBondContact O-CG 3.17Å; L174-L178 PolarHBondContact O-N 3.39Å; L174-N256 HydrophobicContact CD2-CB 3.69Å; L174-N256 HydrophobicContact CG-CB 4.49Å; L174-M259 HydrophobicContact CD2-CE 4.05Å
175N56.5Low56.8Low82 Ų8276.7 Ų76.744%0.43939%0.392SS..Hα-helixtrans-66.2-40.6165.9-92.8-22.4000111.7R171 E172 L179R171-N175 VanDerWaalsContact O-CB 3.31Å; R171-N175 WeakPolarHBondContact O-CB 3.34Å; R171-N175 PolarHBondContact O-N 3.4Å; E172-N175 PolarHBondContact O-N 2.9Å; N175-L179 VanDerWaalsContact O-CB 3.31Å; N175-L179 WeakPolarHBondContact O-CB 3.47Å; N175-L179 WeakPolarHBondContact O-CG 3.4Å; N175-L179 PolarHBondContact O-N 2.84Å
176A59.2Low58Low59 Ų5975.9 Ų75.949%0.48839%0.385SS..Hα-helixtrans-65.7-41.2176.700000111.6E172 S173 L179 F180E172-A176 WeakPolarHBondContact O-CB 3.3Å; E172-A176 PolarHBondContact O-N 3Å; S173-A176 WeakPolarHBondContact O-CB 3.33Å; S173-A176 PolarHBondContact O-N 3.26Å; A176-L179 PolarHBondContact O-N 2.95Å; A176-F180 WeakPolarHBondContact O-CB 3.45Å; A176-F180 PolarHBondContact O-N 3.33Å
177E57.7Low59.2Low110 Ų11076.3 Ų76.351%0.51439%0.385SS..Hα-helixtrans-64.2-45.8176.1-170.5167.2-129.400112.3S173 L174 L179 F180 M181S173-E177 PolarHBondContact O-N 2.88Å; L174-E177 HydrophobicContact CD1-CB 4.4Å; L174-E177 VanDerWaalsContact CD1-OE2 3.25Å; L174-E177 WeakPolarHBondContact CD1-OE2 3.42Å; E177-L179 PolarHBondContact O-N 2.8Å; E177-F180 PolarHBondContact O-N 3.24Å; E177-M181 WeakPolarHBondContact O-CG 3.33Å; E177-M181 PolarHBondContact O-N 2.9Å
178L57.4Low60.1Low49 Ų4974.2 Ų74.226%0.25738%0.377SS..Hα-helixtrans-63.5-38.6173.5-76166.8000112.6L174 M181 H182L174-L178 WeakPolarHBondContact O-CB 3.41Å; L174-L178 WeakPolarHBondContact O-CG 3.17Å; L174-L178 PolarHBondContact O-N 3.39Å; L178-M181 HydrophobicContact CD2-CE 3.96Å; L178-H182 VanDerWaalsContact O-CB 3.3Å; L178-H182 WeakPolarHBondContact O-CB 3.43Å; L178-H182 PolarHBondContact O-N 3.37Å
179L62Low60.9Low93 Ų9373.8 Ų73.849%0.48737%0.37SS..Hα-helixtrans-66.5-38.3173.8-84.9166.4000112.4N175 A176 E177 R183N175-L179 VanDerWaalsContact O-CB 3.31Å; N175-L179 WeakPolarHBondContact O-CB 3.47Å; N175-L179 WeakPolarHBondContact O-CG 3.4Å; N175-L179 PolarHBondContact O-N 2.84Å; A176-L179 PolarHBondContact O-N 2.95Å; E177-L179 PolarHBondContact O-N 2.8Å; L179-R183 WeakPolarHBondContact O-CB 3.38Å; L179-R183 WeakPolarHBondContact O-CG 3.34Å; L179-R183 PolarHBondContact O-N 3.47Å
180F62.6Low62Low139 Ų13974.8 Ų74.861%0.6137%0.368SS*.Hα-helixtrans-63.3-50.3175.6176.2-96.7000110.9A176 E177 H182 R183 W184A176-F180 WeakPolarHBondContact O-CB 3.45Å; A176-F180 PolarHBondContact O-N 3.33Å; E177-F180 PolarHBondContact O-N 3.24Å; F180-H182 PolarHBondContact O-N 2.92Å; F180-R183 PolarHBondContact O-N 3.41Å; F180-W184 WeakPolarHBondContact O-CB 3.39Å; F180-W184 PolarHBondContact O-N 2.87Å
181M59.4Low62.9Low29 Ų2974.2 Ų74.214%0.14337%0.365CS..Hα-helixtrans-61.8-42176.5-68.4-165-64.200112.3E177 L178 R183 W184 W185 M245 I249E177-M181 WeakPolarHBondContact O-CG 3.33Å; E177-M181 PolarHBondContact O-N 2.9Å; L178-M181 HydrophobicContact CD2-CE 3.96Å; M181-R183 PolarHBondContact O-N 3.48Å; M181-W184 PolarHBondContact O-N 2.88Å; M181-W185 WeakPolarHBondContact O-CB 3.28Å; M181-W185 PolarHBondContact O-N 3.28Å; M181-M245 HydrophobicContact CB-CE 4.28Å; M181-M245 HydrophobicContact CG-CE 3.8Å; M181-M245 HydrophobicContact SD-CE 3.93Å; M181-I249 HydrophobicContact CE-CB 4.48Å; M181-I249 HydrophobicContact CE-CG1 3.75Å; M181-I249 HydrophobicContact SD-CG1 3.65Å
182H62.1Low63.8Low100 Ų10072.2 Ų72.246%0.46336%0.358SS..Hα-helixtrans-62.8-41175.7175.4-87.8000112.3L178 F180 K186L178-H182 VanDerWaalsContact O-CB 3.3Å; L178-H182 WeakPolarHBondContact O-CB 3.43Å; L178-H182 PolarHBondContact O-N 3.37Å; F180-H182 PolarHBondContact O-N 2.92Å; H182-K186 VanDerWaalsContact O-CB 3.26Å; H182-K186 WeakPolarHBondContact O-CB 3.43Å; H182-K186 PolarHBondContact O-N 2.6Å
183R67.5Low64.4Low136 Ų13671.6 Ų71.651%0.51336%0.355SS..Hα-helixtrans-63.1-51.2173.5-78.1-179.7177.1-160.80.1111.1L179 F180 M181 W185 K186 T187L179-R183 WeakPolarHBondContact O-CB 3.38Å; L179-R183 WeakPolarHBondContact O-CG 3.34Å; L179-R183 PolarHBondContact O-N 3.47Å; F180-R183 PolarHBondContact O-N 3.41Å; M181-R183 PolarHBondContact O-N 3.48Å; R183-W185 PolarHBondContact O-N 3.16Å; R183-K186 PolarHBondContact O-N 3.4Å; R183-T187 PolarHBondContact O-N 2.7Å; R183-T187 PolarHBondContact O-OG1 3.08Å; R183-T187 VanDerWaalsContact O-OG1 3.1Å
184W69.1Low65.4Low73 Ų7371.3 Ų71.328%0.27735%0.347SS..Hα-helixtrans-56.3-49.1178.7178.791.8000111.5F180 M181 K186 T187 S188 M241 L242 M245F180-W184 WeakPolarHBondContact O-CB 3.39Å; F180-W184 PolarHBondContact O-N 2.87Å; M181-W184 PolarHBondContact O-N 2.88Å; W184-K186 PolarHBondContact O-N 2.89Å; W184-T187 PolarHBondContact O-N 2.87Å; W184-S188 PolarHBondContact O-N 2.98Å; W184-S188 PolarHBondContact O-OG 2.97Å; W184-S188 VanDerWaalsContact O-OG 3.07Å; W184-M241 HydrophobicContact CH2-CB 4.01Å; W184-M241 HydrophobicContact CZ2-CB 4.27Å; W184-M241 HydrophobicContact CZ2-SD 4.39Å; W184-L242 HydrophobicContact CH2-CD2 4.49Å; W184-L242 HydrophobicContact CZ3-CD2 4.02Å; W184-M245 HydrophobicContact CD2-CE 4.36Å; W184-M245 HydrophobicContact CD2-SD 4.03Å; W184-M245 HydrophobicContact CE3-CE 3.84Å; W184-M245 HydrophobicContact CE3-SD 3.56Å; W184-M245 VanDerWaalsContact CE3-SD 3.56Å; W184-M245 HydrophobicContact CH2-SD 3.59Å; W184-M245 VanDerWaalsContact CH2-SD 3.59Å; W184-M245 HydrophobicContact CZ2-SD 4.02Å; W184-M245 HydrophobicContact CZ3-CE 4.13Å; W184-M245 HydrophobicContact CZ3-SD 3.33Å; W184-M245 WeakPolarHBondContact CZ3-SD 3.36Å
185W66.3Low66.4Low57 Ų5776.2 Ų76.222%0.21636%0.364CS..Hα-helixtrans-60-45.4178.8176.587.9000112.3M181 R183 T187 S188 I189 L242 A404M181-W185 WeakPolarHBondContact O-CB 3.28Å; M181-W185 PolarHBondContact O-N 3.28Å; R183-W185 PolarHBondContact O-N 3.16Å; W185-T187 PolarHBondContact O-N 3.26Å; W185-S188 PolarHBondContact O-N 3.32Å; W185-I189 HydrophobicContact CD2-CD1 4.37Å; W185-I189 HydrophobicContact CH2-CD1 3.83Å; W185-I189 HydrophobicContact CZ2-CD1 3.19Å; W185-I189 HydrophobicContact CZ2-CG1 4.21Å; W185-I189 PolarHBondContact O-N 2.81Å; W185-L242 VanDerWaalsContact CD1-CD2 3.45Å; W185-A404 HydrophobicContact CD2-CB 4.29Å; W185-A404 HydrophobicContact CE3-CB 4.36Å; W185-A404 HydrophobicContact CH2-CB 3.19Å; W185-A404 HydrophobicContact CZ2-CB 3.03Å; W185-A404 HydrophobicContact CZ3-CB 3.86Å
186K68.7Low67.4Low70 Ų7074.1 Ų74.130%0.30435%0.352SS..Hα-helixtrans-61.2-43.8177.1-175.5-165.6173.3-161.80111.4H182 R183 W184 K190 L793 E797H182-K186 VanDerWaalsContact O-CB 3.26Å; H182-K186 WeakPolarHBondContact O-CB 3.43Å; H182-K186 PolarHBondContact O-N 2.6Å; R183-K186 PolarHBondContact O-N 3.4Å; W184-K186 PolarHBondContact O-N 2.89Å; K186-K190 WeakPolarHBondContact O-CB 3.21Å; K186-K190 PolarHBondContact O-N 3.21Å; K186-L793 VanDerWaalsContact NZ-CD2 3.29Å; K186-E797 IonicContact NZ-OE1 2.69Å; K186-E797 PolarHBondContact NZ-OE1 3.35Å; K186-E797 IonicContact NZ-OE2 3.21Å
187T73.9Confident68.1Low77 Ų7776.3 Ų76.347%0.47235%0.352SS..Hα-helixtrans-63.9-47.4175.4-560000111.1R183 W184 W185 I189 K190 D191R183-T187 PolarHBondContact O-N 2.7Å; R183-T187 PolarHBondContact O-OG1 3.08Å; R183-T187 VanDerWaalsContact O-OG1 3.1Å; W184-T187 PolarHBondContact O-N 2.87Å; W185-T187 PolarHBondContact O-N 3.26Å; T187-I189 PolarHBondContact O-N 2.99Å; T187-K190 WeakPolarHBondContact O-CB 3.1Å; T187-K190 PolarHBondContact O-N 2.84Å; T187-K190 VanDerWaalsContact O-N 3.1Å; T187-D191 PolarHBondContact O-N 3.14Å
188S66.4Low68.8Low14 Ų1477 Ų7710%0.09836%0.356CS..Hα-helixtrans-63.3-36.2-179.8-60.10000113.6W184 W185 L192W184-S188 PolarHBondContact O-N 2.98Å; W184-S188 PolarHBondContact O-OG 2.97Å; W184-S188 VanDerWaalsContact O-OG 3.07Å; W185-S188 PolarHBondContact O-N 3.32Å; S188-L192 WeakPolarHBondContact O-CB 3.33Å; S188-L192 PolarHBondContact O-N 3.36Å; S188-L192 VanDerWaalsContact O-N 3.16Å
189I67.7Low69.6Low39 Ų3975.7 Ų75.720%0.235%0.347CS..Hα-helixtrans-69.4-40.4171.6-72.9-157.8000111.4W185 T187 L192 H193W185-I189 HydrophobicContact CD2-CD1 4.37Å; W185-I189 HydrophobicContact CH2-CD1 3.83Å; W185-I189 HydrophobicContact CZ2-CD1 3.19Å; W185-I189 HydrophobicContact CZ2-CG1 4.21Å; W185-I189 PolarHBondContact O-N 2.81Å; T187-I189 PolarHBondContact O-N 2.99Å; I189-L192 PolarHBondContact O-N 2.85Å; I189-H193 WeakPolarHBondContact O-CB 3.44Å; I189-H193 PolarHBondContact O-N 3.28Å
190K75.2Confident70.3Confident79 Ų7975.1 Ų75.134%0.34334%0.344SS..Hα-helixtrans-60.9-49.1176.7-176.3-177.2168.3-66.30111.3K186 T187 L192 H193 D194K186-K190 WeakPolarHBondContact O-CB 3.21Å; K186-K190 PolarHBondContact O-N 3.21Å; T187-K190 WeakPolarHBondContact O-CB 3.1Å; T187-K190 PolarHBondContact O-N 2.84Å; T187-K190 VanDerWaalsContact O-N 3.1Å; K190-L192 PolarHBondContact O-N 2.79Å; K190-H193 PolarHBondContact O-N 3Å; K190-D194 IonicContact NZ-OD2 3.58Å; K190-D194 PolarHBondContact NZ-OD2 3.46Å; K190-D194 WeakPolarHBondContact O-CB 3.38Å; K190-D194 VanDerWaalsContact O-CG 3.31Å; K190-D194 PolarHBondContact O-N 3.4Å
191D71Confident70.9Confident77 Ų7773.7 Ų73.741%0.41234%0.338SS..Hα-helixtrans-61.5-31.4177.8-74.28.3000112.7T187 R195T187-D191 PolarHBondContact O-N 3.14Å; D191-R195 WeakPolarHBondContact O-CB 3.39Å; D191-R195 PolarHBondContact O-N 2.95Å
192L72.1Confident71.6Confident8 Ų876 Ų764%0.04235%0.351CS..Hα-helixtrans-71.1-39.6173.1-172.7141.3000112.1S188 I189 K190 E196 R235 I238 F239 T397S188-L192 WeakPolarHBondContact O-CB 3.33Å; S188-L192 PolarHBondContact O-N 3.36Å; S188-L192 VanDerWaalsContact O-N 3.16Å; I189-L192 PolarHBondContact O-N 2.85Å; K190-L192 PolarHBondContact O-N 2.79Å; L192-E196 WeakPolarHBondContact O-CB 3.31Å; L192-E196 PolarHBondContact O-N 3.47Å; L192-R235 HydrophobicContact CD1-CG 4.5Å; L192-I238 HydrophobicContact CB-CD1 4.12Å; L192-I238 HydrophobicContact CD1-CB 3.96Å; L192-I238 HydrophobicContact CD1-CD1 4.31Å; L192-I238 HydrophobicContact CD1-CG2 3.72Å; L192-F239 HydrophobicContact CD1-CE2 4.42Å; L192-T397 HydrophobicContact CD2-CG2 4.41Å
193H72.9Confident72.2Confident119 Ų11973.5 Ų73.555%0.55134%0.339SS*.Hα-helixtrans-77-41.9-177.9-143.739.5000112.5I189 K190 R195 E196 E197I189-H193 WeakPolarHBondContact O-CB 3.44Å; I189-H193 PolarHBondContact O-N 3.28Å; K190-H193 PolarHBondContact O-N 3Å; H193-R195 VanDerWaalsContact C-N 3.28Å; H193-R195 PolarHBondContact O-N 2.83Å; H193-E196 IonicContact ND1-OE2 2.8Å; H193-E196 PolarHBondContact ND1-OE2 2.84Å; H193-E196 PolarHBondContact O-N 3.14Å; H193-E196 VanDerWaalsContact O-N 3.12Å; H193-E197 PolarHBondContact O-N 3.22Å
194D74.4Confident72.6Confident69 Ų6974.1 Ų74.137%0.36935%0.345SS..Hα-helixtrans-57-43.2174.7-69.7-3.3000110.3K190 E197 E198K190-D194 IonicContact NZ-OD2 3.58Å; K190-D194 PolarHBondContact NZ-OD2 3.46Å; K190-D194 WeakPolarHBondContact O-CB 3.38Å; K190-D194 VanDerWaalsContact O-CG 3.31Å; K190-D194 PolarHBondContact O-N 3.4Å; D194-E197 PolarHBondContact O-N 3.09Å; D194-E198 PolarHBondContact O-N 2.82Å
195R73.5Confident72.7Confident121 Ų12173.3 Ų73.346%0.45735%0.351SS..Hα-helixtrans-73.2-29.8175.4-78.3176.3167.1168.23114.5D191 H193 E197 E198 Y199 F231 F234D191-R195 WeakPolarHBondContact O-CB 3.39Å; D191-R195 PolarHBondContact O-N 2.95Å; H193-R195 VanDerWaalsContact C-N 3.28Å; H193-R195 PolarHBondContact O-N 2.83Å; R195-E197 VanDerWaalsContact C-N 3.3Å; R195-E198 PolarHBondContact O-N 2.97Å; R195-Y199 WeakPolarHBondContact O-CB 3.46Å; R195-Y199 PolarHBondContact O-N 3.33Å; R195-F231 HydrophobicContact CB-CD2 4.41Å; R195-F231 HydrophobicContact CB-CE2 4.12Å; R195-F234 HydrophobicContact CB-CD1 4.48Å; R195-F234 HydrophobicContact CB-CE1 4Å; R195-F234 HydrophobicContact CG-CE1 4.22Å; R195-F234 VanDerWaalsContact NH1-CZ 3.28Å
196E75.9Confident72.9Confident39 Ų3971.6 Ų71.618%0.18235%0.345CS..Hα-helixtrans-66.4-36.8172-166.4163.3-130.700110.4L192 H193 L200 F231 R235L192-E196 WeakPolarHBondContact O-CB 3.31Å; L192-E196 PolarHBondContact O-N 3.47Å; H193-E196 IonicContact ND1-OE2 2.8Å; H193-E196 PolarHBondContact ND1-OE2 2.84Å; H193-E196 PolarHBondContact O-N 3.14Å; H193-E196 VanDerWaalsContact O-N 3.12Å; E196-L200 WeakPolarHBondContact O-CB 3.18Å; E196-L200 WeakPolarHBondContact O-CD1 3.06Å; E196-L200 VanDerWaalsContact O-CG 3.29Å; E196-L200 WeakPolarHBondContact O-CG 3.34Å; E196-L200 PolarHBondContact O-N 3.32Å; E196-F231 HydrophobicContact CB-CE2 4.2Å; E196-F231 HydrophobicContact CB-CZ 3.73Å; E196-F231 HydrophobicContact CG-CE1 4.48Å; E196-F231 HydrophobicContact CG-CZ 3.87Å; E196-R235 IonicContact OE1-CZ 3.53Å; E196-R235 IonicContact OE1-NH1 2.75Å; E196-R235 PolarHBondContact OE1-NH1 3.39Å
197E73.5Confident73.1Confident105 Ų10573.3 Ų73.349%0.49135%0.354SS..Hα-helixtrans-69.9-40.2173.3-147.1-152.3158.500112.6H193 D194 R195 L200 K201H193-E197 PolarHBondContact O-N 3.22Å; D194-E197 PolarHBondContact O-N 3.09Å; R195-E197 VanDerWaalsContact C-N 3.3Å; E197-L200 PolarHBondContact O-N 3.5Å; E197-K201 WeakPolarHBondContact O-CB 3.23Å; E197-K201 WeakPolarHBondContact O-CD 3.36Å; E197-K201 VanDerWaalsContact O-CG 3.28Å; E197-K201 WeakPolarHBondContact O-CG 3.5Å; E197-K201 PolarHBondContact O-N 3.26Å; E197-K201 WeakPolarHBondContact OE1-CE 3.36Å; E197-K201 IonicContact OE1-NZ 2.69Å; E197-K201 PolarHBondContact OE1-NZ 2.67Å; E197-K201 IonicContact OE2-NZ 3.52Å; E197-K201 PolarHBondContact OE2-NZ 3.35Å
198E73.8Confident72.9Confident125 Ų12576 Ų7658%0.58436%0.361SS*.Hα-helixtrans-59.7-46.3172-74-175.9152.700112D194 R195 L200 K201 L202D194-E198 PolarHBondContact O-N 2.82Å; R195-E198 PolarHBondContact O-N 2.97Å; E198-L200 VanDerWaalsContact C-N 3.35Å; E198-L200 PolarHBondContact O-N 2.97Å; E198-K201 PolarHBondContact O-N 3.02Å; E198-L202 PolarHBondContact O-N 2.96Å
199Y74.2Confident73Confident20 Ų2079 Ų798%0.07838%0.376CS..Hα-helixtrans-58.5-46175.1175.3-87000111.3R195 K201 L202 E203 V227 K228 F231R195-Y199 WeakPolarHBondContact O-CB 3.46Å; R195-Y199 PolarHBondContact O-N 3.33Å; Y199-K201 PolarHBondContact O-N 2.94Å; Y199-L202 PolarHBondContact O-N 3.43Å; Y199-E203 HydrophobicContact CE1-CB 4.21Å; Y199-E203 HydrophobicContact CE1-CG 4.5Å; Y199-E203 WeakPolarHBondContact CE1-OE2 3.14Å; Y199-E203 WeakPolarHBondContact O-CB 3.28Å; Y199-E203 PolarHBondContact O-N 2.92Å; Y199-E203 VanDerWaalsContact OH-CD 3.31Å; Y199-E203 PolarHBondContact OH-OE1 3.49Å; Y199-V227 HydrophobicContact CD2-CG1 4.38Å; Y199-K228 HydrophobicContact CE2-CB 3.92Å; Y199-K228 HydrophobicContact CE2-CG 4.04Å; Y199-K228 WeakPolarHBondContact OH-CD 3.37Å; Y199-K228 WeakPolarHBondContact OH-CE 3.36Å; Y199-K228 PolarHBondContact OH-NZ 3.47Å; Y199-F231 HydrophobicContact CD2-CB 4.13Å; Y199-F231 HydrophobicContact CD2-CD1 4.22Å; Y199-F231 HydrophobicContact CD2-CG 4.25Å; Y199-F231 HydrophobicContact CG-CD1 4.12Å; Y199-F231 HydrophobicContact CG-CG 4.32Å
200L76.7Confident72.9Confident82 Ų8279 Ų7943%0.42938%0.376SS..Hα-helixtrans-65.7-34178.7-75.5165.8000113.1E196 E197 E198 K204E196-L200 WeakPolarHBondContact O-CB 3.18Å; E196-L200 WeakPolarHBondContact O-CD1 3.06Å; E196-L200 VanDerWaalsContact O-CG 3.29Å; E196-L200 WeakPolarHBondContact O-CG 3.34Å; E196-L200 PolarHBondContact O-N 3.32Å; E197-L200 PolarHBondContact O-N 3.5Å; E198-L200 VanDerWaalsContact C-N 3.35Å; E198-L200 PolarHBondContact O-N 2.97Å; L200-K204 WeakPolarHBondContact O-CB 3.48Å; L200-K204 WeakPolarHBondContact O-CG 3.09Å; L200-K204 PolarHBondContact O-N 2.8Å
201K75.9Confident72.4Confident109 Ų10982.4 Ų82.447%0.47440%0.397SS..Hα-helixtrans-66.9-40.2172.2-74162.6-177161.60111.6E197 E198 Y199 S205E197-K201 WeakPolarHBondContact O-CB 3.23Å; E197-K201 WeakPolarHBondContact O-CD 3.36Å; E197-K201 VanDerWaalsContact O-CG 3.28Å; E197-K201 WeakPolarHBondContact O-CG 3.5Å; E197-K201 PolarHBondContact O-N 3.26Å; E197-K201 WeakPolarHBondContact OE1-CE 3.36Å; E197-K201 IonicContact OE1-NZ 2.69Å; E197-K201 PolarHBondContact OE1-NZ 2.67Å; E197-K201 IonicContact OE2-NZ 3.52Å; E197-K201 PolarHBondContact OE2-NZ 3.35Å; E198-K201 PolarHBondContact O-N 3.02Å; Y199-K201 PolarHBondContact O-N 2.94Å; K201-S205 WeakPolarHBondContact O-CB 3.47Å; K201-S205 PolarHBondContact O-N 3.03Å; K201-S205 PolarHBondContact O-OG 2.89Å
202L73.5Confident71.9Confident78 Ų7883.5 Ų83.541%0.40841%0.406SS..Hα-helixtrans-68-42175.3-16770.8000111.7E198 Y199 S205 F206 V227E198-L202 PolarHBondContact O-N 2.96Å; Y199-L202 PolarHBondContact O-N 3.43Å; L202-S205 WeakPolarHBondContact CA-OG 3.37Å; L202-S205 PolarHBondContact O-OG 2.78Å; L202-F206 VanDerWaalsContact O-CB 3.31Å; L202-F206 WeakPolarHBondContact O-CB 3.38Å; L202-F206 PolarHBondContact O-N 3.16Å; L202-V227 HydrophobicContact CD2-CB 4.08Å; L202-V227 HydrophobicContact CD2-CG1 3.77Å; L202-V227 HydrophobicContact CD2-CG2 3.99Å
203E75.1Confident71.1Confident47 Ų4790.7 Ų90.722%0.2244%0.437CS..Hα-helixtrans-66.3-38.7177.6-163.9167.6-120.300111.5Y199 F206 H207 K228Y199-E203 HydrophobicContact CE1-CB 4.21Å; Y199-E203 HydrophobicContact CE1-CG 4.5Å; Y199-E203 WeakPolarHBondContact CE1-OE2 3.14Å; Y199-E203 WeakPolarHBondContact O-CB 3.28Å; Y199-E203 PolarHBondContact O-N 2.92Å; Y199-E203 VanDerWaalsContact OH-CD 3.31Å; Y199-E203 PolarHBondContact OH-OE1 3.49Å; E203-F206 WeakPolarHBondContact O-CB 3.3Å; E203-H207 PolarHBondContact O-N 3.24Å; E203-H207 PolarHBondContact O-ND1 3.03Å; E203-K228 IonicContact OE1-NZ 3.54Å; E203-K228 PolarHBondContact OE1-NZ 2.94Å
204K75.9Confident70.1Confident149 Ų14992.4 Ų92.465%0.64845%0.445SS*.Hα-helixtrans-64.2-51.5172.9-78.7176.4178.4176.70113L200 F206 H207 E208L200-K204 WeakPolarHBondContact O-CB 3.48Å; L200-K204 WeakPolarHBondContact O-CG 3.09Å; L200-K204 PolarHBondContact O-N 2.8Å; K204-F206 PolarHBondContact O-N 2.68Å; K204-H207 WeakPolarHBondContact O-CA 3.4Å; K204-H207 WeakPolarHBondContact O-CB 3.46Å; K204-H207 PolarHBondContact O-N 3Å; K204-E208 PolarHBondContact O-N 3.09Å
205S71.3Confident68.9Low56 Ų5693.7 Ų93.739%0.39247%0.465SS..Hα-helixtrans-64.7-28.2179.452.60000112.5K201 L202 E208 L209K201-S205 WeakPolarHBondContact O-CB 3.47Å; K201-S205 PolarHBondContact O-N 3.03Å; K201-S205 PolarHBondContact O-OG 2.89Å; L202-S205 WeakPolarHBondContact CA-OG 3.37Å; L202-S205 PolarHBondContact O-OG 2.78Å; S205-E208 PolarHBondContact O-N 3.12Å; S205-L209 PolarHBondContact O-N 3Å
206F69.9Low68.1Low21 Ų2197.8 Ų97.89%0.09248%0.481CS..Hα-helixtrans-61.7-46.2167.3-169.3-95.3000112L202 E203 K204 E208 L209 L210 L220 W221 L224L202-F206 VanDerWaalsContact O-CB 3.31Å; L202-F206 WeakPolarHBondContact O-CB 3.38Å; L202-F206 PolarHBondContact O-N 3.16Å; E203-F206 WeakPolarHBondContact O-CB 3.3Å; K204-F206 PolarHBondContact O-N 2.68Å; F206-E208 PolarHBondContact O-N 2.67Å; F206-L209 PolarHBondContact O-N 3.42Å; F206-L209 VanDerWaalsContact O-N 3.12Å; F206-L210 HydrophobicContact CD1-CD1 3.75Å; F206-L210 HydrophobicContact CD1-CD2 4.36Å; F206-L210 HydrophobicContact CD1-CG 3.89Å; F206-L210 HydrophobicContact CE1-CD1 3.67Å; F206-L210 HydrophobicContact CE1-CD2 3.73Å; F206-L210 HydrophobicContact CE1-CG 3.76Å; F206-L210 HydrophobicContact CZ-CD2 4.12Å; F206-L210 WeakPolarHBondContact O-CG 3.41Å; F206-L210 PolarHBondContact O-N 2.82Å; F206-L220 HydrophobicContact CD2-CD2 3.83Å; F206-L220 HydrophobicContact CE2-CB 3.82Å; F206-L220 HydrophobicContact CE2-CD2 3.64Å; F206-L220 HydrophobicContact CE2-CG 4.37Å; F206-L220 WeakPolarHBondContact CE2-O 3.45Å; F206-L220 HydrophobicContact CZ-CB 4.42Å; F206-W221 HydrophobicContact CZ-CB 4.31Å; F206-L224 HydrophobicContact CB-CD1 4.3Å; F206-L224 HydrophobicContact CD1-CD2 3.71Å; F206-L224 HydrophobicContact CD2-CB 4.28Å; F206-L224 HydrophobicContact CD2-CD1 4.38Å; F206-L224 HydrophobicContact CD2-CD2 4.4Å; F206-L224 HydrophobicContact CE1-CD2 3.81Å; F206-L224 HydrophobicContact CE2-CB 4.1Å; F206-L224 HydrophobicContact CE2-CD2 4.49Å; F206-L224 HydrophobicContact CG-CD1 4.24Å; F206-L224 HydrophobicContact CG-CD2 4.02Å; F206-L224 HydrophobicContact CZ-CB 4.36Å; F206-L224 HydrophobicContact CZ-CD2 4.22Å
207H71.5Confident67.3Low105 Ų105101.3 Ų101.349%0.48649%0.493SS..Hα-helixtrans-63.7-36.5177.3-75.480.1000112.9E203 K204 L209 L210 L211E203-H207 PolarHBondContact O-N 3.24Å; E203-H207 PolarHBondContact O-ND1 3.03Å; K204-H207 WeakPolarHBondContact O-CA 3.4Å; K204-H207 WeakPolarHBondContact O-CB 3.46Å; K204-H207 PolarHBondContact O-N 3Å; H207-L209 VanDerWaalsContact C-N 3.34Å; H207-L210 PolarHBondContact O-N 3.19Å; H207-L211 WeakPolarHBondContact O-CG 3.19Å; H207-L211 PolarHBondContact O-N 3.39Å
208E70.5Confident66.9Low135 Ų135100.8 Ų100.863%0.63150%0.497SS*.Hα-helixtrans-65.6-35.1171.5-66.2-176.6141.900112.5K204 S205 F206 L211 T212K204-E208 PolarHBondContact O-N 3.09Å; S205-E208 PolarHBondContact O-N 3.12Å; F206-E208 PolarHBondContact O-N 2.67Å; E208-L211 PolarHBondContact O-N 2.75Å; E208-T212 WeakPolarHBondContact O-CG2 3.42Å; E208-T212 PolarHBondContact O-N 2.81Å; E208-T212 PolarHBondContact O-OG1 3.38Å
209L68.6Low66.6Low77 Ų77101.3 Ų101.340%0.40350%0.504SS..Hα-helixtrans-71.5-36.9175.8-149.178.3000112.5S205 F206 H207 L211 T212 K213 L220S205-L209 PolarHBondContact O-N 3Å; F206-L209 PolarHBondContact O-N 3.42Å; F206-L209 VanDerWaalsContact O-N 3.12Å; H207-L209 VanDerWaalsContact C-N 3.34Å; L209-L211 VanDerWaalsContact C-N 3.27Å; L209-L211 PolarHBondContact O-N 3.03Å; L209-T212 WeakPolarHBondContact CA-OG1 3.35Å; L209-T212 PolarHBondContact O-N 3.04Å; L209-T212 PolarHBondContact O-OG1 3.38Å; L209-K213 PolarHBondContact O-N 3.22Å; L209-L220 HydrophobicContact CD2-CD1 3.68Å; L209-L220 HydrophobicContact CD2-CD2 3.73Å; L209-L220 HydrophobicContact CD2-CG 4.39Å
210L64.8Low66.1Low39 Ų39103.3 Ų103.320%0.20452%0.516CS..Hα-helixtrans-58.7-39.2172.7-69.4175.7000111.9F206 H207 Y217F206-L210 HydrophobicContact CD1-CD1 3.75Å; F206-L210 HydrophobicContact CD1-CD2 4.36Å; F206-L210 HydrophobicContact CD1-CG 3.89Å; F206-L210 HydrophobicContact CE1-CD1 3.67Å; F206-L210 HydrophobicContact CE1-CD2 3.73Å; F206-L210 HydrophobicContact CE1-CG 3.76Å; F206-L210 HydrophobicContact CZ-CD2 4.12Å; F206-L210 WeakPolarHBondContact O-CG 3.41Å; F206-L210 PolarHBondContact O-N 2.82Å; H207-L210 PolarHBondContact O-N 3.19Å; L210-Y217 HydrophobicContact CD2-CD1 4.17Å; L210-Y217 HydrophobicContact CD2-CD2 4.35Å; L210-Y217 HydrophobicContact CD2-CE1 3.61Å; L210-Y217 HydrophobicContact CD2-CE2 3.8Å; L210-Y217 VanDerWaalsContact CD2-CZ 3.41Å
211L64.5Low66Low149 Ų149105.4 Ų105.478%0.7852%0.518SS*.Hα-helixtrans-72.4-26.9178.1-72.5168.5000113.4H207 E208 L209H207-L211 WeakPolarHBondContact O-CG 3.19Å; H207-L211 PolarHBondContact O-N 3.39Å; E208-L211 PolarHBondContact O-N 2.75Å; L209-L211 VanDerWaalsContact C-N 3.27Å; L209-L211 PolarHBondContact O-N 3.03Å
212T61.7Low66Low100 Ų100105.4 Ų105.461%0.61352%0.519SS*.Hα-helixtrans-101.9-25.6-171.5510000115.2E208 L209E208-T212 WeakPolarHBondContact O-CG2 3.42Å; E208-T212 PolarHBondContact O-N 2.81Å; E208-T212 PolarHBondContact O-OG1 3.38Å; L209-T212 WeakPolarHBondContact CA-OG1 3.35Å; L209-T212 PolarHBondContact O-N 3.04Å; L209-T212 PolarHBondContact O-OG1 3.38Å
213K54.6Low65.8Low159 Ų159107.2 Ų107.269%0.69153%0.529SS*.  trans-145.599.8-178.4-66.9-174.5-178.4173.20114.5L209 A215L209-K213 PolarHBondContact O-N 3.22Å; K213-A215 VanDerWaalsContact C-N 3.27Å; K213-A215 PolarHBondContact O-N 2.92Å
214H53.1Low65.7Low155 Ų155106.1 Ų106.172%0.71852%0.524SS*.G310 helixtrans-61.1-23.9175.8-70.9-17.3000115.7R216H214-R216 PolarHBondContact O-N 2.73Å
215A48.3Very low65.8Low96 Ų96102.1 Ų102.179%0.79351%0.508SS*.G310 helixtrans-80.84.7-159.500000117.6K213K213-A215 VanDerWaalsContact C-N 3.27Å; K213-A215 PolarHBondContact O-N 2.92Å
216R56.4Low65.8Low207 Ų207102.1 Ų102.178%0.78151%0.508SS*.G310 helixtrans-141.127-177.2-69.5-168.5176.2-177.5-1.3115.5H214 V218 L220H214-R216 PolarHBondContact O-N 2.73Å; R216-V218 PolarHBondContact O-N 2.73Å; R216-L220 HydrophobicContact CB-CD1 4.48Å
217Y59Low66Low113 Ų113103.4 Ų103.444%0.44352%0.518SS..Hα-helixtrans-48.7-53.1-171.9-109.9-111.6000116L210 L220 W221L210-Y217 HydrophobicContact CD2-CD1 4.17Å; L210-Y217 HydrophobicContact CD2-CD2 4.35Å; L210-Y217 HydrophobicContact CD2-CE1 3.61Å; L210-Y217 HydrophobicContact CD2-CE2 3.8Å; L210-Y217 VanDerWaalsContact CD2-CZ 3.41Å; Y217-L220 PolarHBondContact O-N 2.96Å; Y217-W221 PolarHBondContact O-N 2.81Å
218V65.9Low66.2Low94 Ų94103.3 Ų103.357%0.5752%0.516SS*.Hα-helixtrans-63.4-53.5-163.3177.50000113.1R216 L220 W221 H222R216-V218 PolarHBondContact O-N 2.73Å; V218-L220 VanDerWaalsContact C-N 3.27Å; V218-L220 PolarHBondContact O-N 3.34Å; V218-W221 PolarHBondContact O-N 3.05Å; V218-H222 PolarHBondContact O-CD2 3.48Å; V218-H222 PolarHBondContact O-N 3.34Å; V218-H222 VanDerWaalsContact O-N 3.08Å
219N66.3Low66.4Low137 Ų137105.3 Ų105.373%0.73352%0.518SS*.Hα-helixtrans-62.9-35.6-177.2-64.416.3000112.2L223N219-L223 PolarHBondContact O-N 2.93Å
220L65.3Low66.6Low61 Ų61106.2 Ų106.232%0.31952%0.523SS..Hα-helixtrans-69.9-42.7178.7-109.6143.8000110.7F206 L209 R216 Y217 V218 H222 L223 L224F206-L220 HydrophobicContact CD2-CD2 3.83Å; F206-L220 HydrophobicContact CE2-CB 3.82Å; F206-L220 HydrophobicContact CE2-CD2 3.64Å; F206-L220 HydrophobicContact CE2-CG 4.37Å; F206-L220 WeakPolarHBondContact CE2-O 3.45Å; F206-L220 HydrophobicContact CZ-CB 4.42Å; L209-L220 HydrophobicContact CD2-CD1 3.68Å; L209-L220 HydrophobicContact CD2-CD2 3.73Å; L209-L220 HydrophobicContact CD2-CG 4.39Å; R216-L220 HydrophobicContact CB-CD1 4.48Å; Y217-L220 PolarHBondContact O-N 2.96Å; V218-L220 VanDerWaalsContact C-N 3.27Å; V218-L220 PolarHBondContact O-N 3.34Å; L220-H222 PolarHBondContact O-N 2.99Å; L220-L223 WeakPolarHBondContact O-CB 3.48Å; L220-L223 PolarHBondContact O-N 3.16Å; L220-L224 PolarHBondContact O-N 2.91Å; L220-L224 VanDerWaalsContact O-N 3.07Å
221W73.7Confident67Low126 Ų126105.8 Ų105.848%0.47752%0.519SS..Hα-helixtrans-63.7-38.3176.2-174.286.9000112.7F206 Y217 V218 L223 L224 Q225F206-W221 HydrophobicContact CZ-CB 4.31Å; Y217-W221 PolarHBondContact O-N 2.81Å; V218-W221 PolarHBondContact O-N 3.05Å; W221-L223 VanDerWaalsContact C-N 3.33Å; W221-L223 PolarHBondContact O-N 3.05Å; W221-L224 PolarHBondContact O-N 2.87Å; W221-Q225 HydrophobicContact CD2-CG 4.1Å; W221-Q225 HydrophobicContact CE3-CG 3.95Å; W221-Q225 HydrophobicContact CH2-CG 3.9Å; W221-Q225 HydrophobicContact CZ2-CG 4.03Å; W221-Q225 HydrophobicContact CZ3-CG 3.85Å; W221-Q225 WeakPolarHBondContact O-CG 3.27Å; W221-Q225 PolarHBondContact O-N 2.72Å
222H76.4Confident67.4Low109 Ų109101.5 Ų101.551%0.50550%0.502SS..Hα-helixtrans-64.7-35172.6-74.9-61.5000113V218 L220 Q225 S226V218-H222 PolarHBondContact O-CD2 3.48Å; V218-H222 PolarHBondContact O-N 3.34Å; V218-H222 VanDerWaalsContact O-N 3.08Å; L220-H222 PolarHBondContact O-N 2.99Å; H222-Q225 WeakPolarHBondContact O-CB 3.37Å; H222-Q225 PolarHBondContact O-N 3.38Å; H222-S226 PolarHBondContact O-N 3.14Å; H222-S226 VanDerWaalsContact O-N 3.07Å
223L68.5Low67.9Low116 Ų11699.7 Ų99.761%0.60750%0.497SS*.Hα-helixtrans-66.1-44.2175.1-169.967000111.5N219 L220 W221 Q225 S226 V227N219-L223 PolarHBondContact O-N 2.93Å; L220-L223 WeakPolarHBondContact O-CB 3.48Å; L220-L223 PolarHBondContact O-N 3.16Å; W221-L223 VanDerWaalsContact C-N 3.33Å; W221-L223 PolarHBondContact O-N 3.05Å; L223-Q225 VanDerWaalsContact C-N 3.33Å; L223-Q225 PolarHBondContact O-N 2.92Å; L223-S226 WeakPolarHBondContact O-CB 3.43Å; L223-S226 PolarHBondContact O-N 3.45Å; L223-S226 VanDerWaalsContact O-N 3.14Å; L223-V227 PolarHBondContact O-N 3.18Å; L223-V227 VanDerWaalsContact O-N 3.14Å
224L73.9Confident68.7Low24 Ų2494.3 Ų94.313%0.12647%0.474CS..Hα-helixtrans-61.5-40.8174.7-170.476.4000111.8F206 L220 W221 S226 V227 K228F206-L224 HydrophobicContact CB-CD1 4.3Å; F206-L224 HydrophobicContact CD1-CD2 3.71Å; F206-L224 HydrophobicContact CD2-CB 4.28Å; F206-L224 HydrophobicContact CD2-CD1 4.38Å; F206-L224 HydrophobicContact CD2-CD2 4.4Å; F206-L224 HydrophobicContact CE1-CD2 3.81Å; F206-L224 HydrophobicContact CE2-CB 4.1Å; F206-L224 HydrophobicContact CE2-CD2 4.49Å; F206-L224 HydrophobicContact CG-CD1 4.24Å; F206-L224 HydrophobicContact CG-CD2 4.02Å; F206-L224 HydrophobicContact CZ-CB 4.36Å; F206-L224 HydrophobicContact CZ-CD2 4.22Å; L220-L224 PolarHBondContact O-N 2.91Å; L220-L224 VanDerWaalsContact O-N 3.07Å; W221-L224 PolarHBondContact O-N 2.87Å; L224-S226 VanDerWaalsContact C-N 3.3Å; L224-S226 PolarHBondContact O-N 2.82Å; L224-V227 PolarHBondContact O-N 2.87Å; L224-K228 WeakPolarHBondContact O-CB 3.45Å; L224-K228 PolarHBondContact O-N 2.86Å
225Q77.4Confident69.5Low65 Ų6587.8 Ų87.830%0.30444%0.443SS..Hα-helixtrans-60.1-35.4173.5-80.5-82.4-11.600113W221 H222 L223 R229W221-Q225 HydrophobicContact CD2-CG 4.1Å; W221-Q225 HydrophobicContact CE3-CG 3.95Å; W221-Q225 HydrophobicContact CH2-CG 3.9Å; W221-Q225 HydrophobicContact CZ2-CG 4.03Å; W221-Q225 HydrophobicContact CZ3-CG 3.85Å; W221-Q225 WeakPolarHBondContact O-CG 3.27Å; W221-Q225 PolarHBondContact O-N 2.72Å; H222-Q225 WeakPolarHBondContact O-CB 3.37Å; H222-Q225 PolarHBondContact O-N 3.38Å; L223-Q225 VanDerWaalsContact C-N 3.33Å; L223-Q225 PolarHBondContact O-N 2.92Å; Q225-R229 WeakPolarHBondContact O-CG 3.36Å; Q225-R229 PolarHBondContact O-N 3.47Å
226S70.8Confident70.4Confident57 Ų5786.7 Ų86.740%0.39943%0.429SS..Hα-helixtrans-65-58.8173.4-163.90000110.6H222 L223 L224 K228 R229 D230H222-S226 PolarHBondContact O-N 3.14Å; H222-S226 VanDerWaalsContact O-N 3.07Å; L223-S226 WeakPolarHBondContact O-CB 3.43Å; L223-S226 PolarHBondContact O-N 3.45Å; L223-S226 VanDerWaalsContact O-N 3.14Å; L224-S226 VanDerWaalsContact C-N 3.3Å; L224-S226 PolarHBondContact O-N 2.82Å; S226-K228 PolarHBondContact O-N 3.29Å; S226-K228 VanDerWaalsContact O-N 3.09Å; S226-R229 WeakPolarHBondContact O-CA 3.27Å; S226-R229 WeakPolarHBondContact O-CB 3.38Å; S226-R229 PolarHBondContact O-N 2.81Å; S226-D230 VanDerWaalsContact O-CG 3.24Å; S226-D230 PolarHBondContact O-N 2.9Å; S226-D230 PolarHBondContact OG-OD2 2.99Å; S226-D230 VanDerWaalsContact OG-OD2 3.08Å
227V74.3Confident71.2Confident47 Ų4780.6 Ų80.629%0.28541%0.41SS..Hα-helixtrans-58.3-33.4-175.9-178.10000111.8Y199 L202 L223 L224 D230 F231Y199-V227 HydrophobicContact CD2-CG1 4.38Å; L202-V227 HydrophobicContact CD2-CB 4.08Å; L202-V227 HydrophobicContact CD2-CG1 3.77Å; L202-V227 HydrophobicContact CD2-CG2 3.99Å; L223-V227 PolarHBondContact O-N 3.18Å; L223-V227 VanDerWaalsContact O-N 3.14Å; L224-V227 PolarHBondContact O-N 2.87Å; V227-D230 PolarHBondContact O-N 3.28Å; V227-F231 VanDerWaalsContact O-CB 3.32Å; V227-F231 WeakPolarHBondContact O-CB 3.45Å; V227-F231 PolarHBondContact O-N 3.18Å
228K75.7Confident71.5Confident104 Ų10475.7 Ų75.745%0.45239%0.391SS..Hα-helixtrans-65.4-36.1173.8-166.1168-163.11320113.6Y199 E203 L224 S226 S232Y199-K228 HydrophobicContact CE2-CB 3.92Å; Y199-K228 HydrophobicContact CE2-CG 4.04Å; Y199-K228 WeakPolarHBondContact OH-CD 3.37Å; Y199-K228 WeakPolarHBondContact OH-CE 3.36Å; Y199-K228 PolarHBondContact OH-NZ 3.47Å; E203-K228 IonicContact OE1-NZ 3.54Å; E203-K228 PolarHBondContact OE1-NZ 2.94Å; L224-K228 WeakPolarHBondContact O-CB 3.45Å; L224-K228 PolarHBondContact O-N 2.86Å; S226-K228 PolarHBondContact O-N 3.29Å; S226-K228 VanDerWaalsContact O-N 3.09Å; K228-S232 VanDerWaalsContact O-CB 3.29Å; K228-S232 WeakPolarHBondContact O-CB 3.39Å; K228-S232 PolarHBondContact O-N 2.83Å; K228-S232 VanDerWaalsContact O-N 3.12Å
229R75.5Confident71.3Confident177 Ų17772.9 Ų72.967%0.66837%0.371SS*.Hα-helixtrans-72-44172.8-70.1172.1-178.6-169.7-2111.2Q225 S226 F231 S232 A233Q225-R229 WeakPolarHBondContact O-CG 3.36Å; Q225-R229 PolarHBondContact O-N 3.47Å; S226-R229 WeakPolarHBondContact O-CA 3.27Å; S226-R229 WeakPolarHBondContact O-CB 3.38Å; S226-R229 PolarHBondContact O-N 2.81Å; R229-F231 PolarHBondContact O-N 3.46Å; R229-S232 WeakPolarHBondContact O-CB 3.21Å; R229-S232 PolarHBondContact O-N 3.02Å; R229-S232 VanDerWaalsContact O-N 3.14Å; R229-A233 PolarHBondContact O-N 2.99Å
230D72.5Confident71.4Confident95 Ų9572.7 Ų72.751%0.50836%0.36SS..Hα-helixtrans-62.7-44.8-178.7-56.8-39.8000110.9S226 V227 A233 F234S226-D230 VanDerWaalsContact O-CG 3.24Å; S226-D230 PolarHBondContact O-N 2.9Å; S226-D230 PolarHBondContact OG-OD2 2.99Å; S226-D230 VanDerWaalsContact OG-OD2 3.08Å; V227-D230 PolarHBondContact O-N 3.28Å; D230-A233 PolarHBondContact O-N 2.86Å; D230-F234 PolarHBondContact O-N 3.45Å; D230-F234 VanDerWaalsContact O-N 3.08Å
231F73.9Confident71.4Confident31 Ų3173 Ų7314%0.13636%0.361CS..Hα-helixtrans-63.8-40.4171.8179.9-109.2000112.5R195 E196 Y199 V227 R229 A233 F234 R235R195-F231 HydrophobicContact CB-CD2 4.41Å; R195-F231 HydrophobicContact CB-CE2 4.12Å; E196-F231 HydrophobicContact CB-CE2 4.2Å; E196-F231 HydrophobicContact CB-CZ 3.73Å; E196-F231 HydrophobicContact CG-CE1 4.48Å; E196-F231 HydrophobicContact CG-CZ 3.87Å; Y199-F231 HydrophobicContact CD2-CB 4.13Å; Y199-F231 HydrophobicContact CD2-CD1 4.22Å; Y199-F231 HydrophobicContact CD2-CG 4.25Å; Y199-F231 HydrophobicContact CG-CD1 4.12Å; Y199-F231 HydrophobicContact CG-CG 4.32Å; V227-F231 VanDerWaalsContact O-CB 3.32Å; V227-F231 WeakPolarHBondContact O-CB 3.45Å; V227-F231 PolarHBondContact O-N 3.18Å; R229-F231 PolarHBondContact O-N 3.46Å; F231-A233 VanDerWaalsContact C-N 3.33Å; F231-A233 PolarHBondContact O-N 2.95Å; F231-F234 HydrophobicContact CD2-CD1 4.45Å; F231-F234 PolarHBondContact O-N 2.99Å; F231-R235 VanDerWaalsContact O-CB 3.28Å; F231-R235 WeakPolarHBondContact O-CB 3.5Å; F231-R235 PolarHBondContact O-N 3.48Å
232S73Confident70.7Confident58 Ų5868 Ų6841%0.40634%0.344SS..Hα-helixtrans-64.4-36.1176.5-169.10000112.8K228 R229 S236K228-S232 VanDerWaalsContact O-CB 3.29Å; K228-S232 WeakPolarHBondContact O-CB 3.39Å; K228-S232 PolarHBondContact O-N 2.83Å; K228-S232 VanDerWaalsContact O-N 3.12Å; R229-S232 WeakPolarHBondContact O-CB 3.21Å; R229-S232 PolarHBondContact O-N 3.02Å; R229-S232 VanDerWaalsContact O-N 3.14Å; S232-S236 PolarHBondContact O-N 3.48Å; S232-S236 VanDerWaalsContact O-N 3.08Å; S232-S236 PolarHBondContact O-OG 3.48Å
233A72Confident70Confident63 Ų6371 Ų7152%0.52135%0.35SS..Hα-helixtrans-68-47.4176.100000111.2R229 D230 F231 R235 S236 E237R229-A233 PolarHBondContact O-N 2.99Å; D230-A233 PolarHBondContact O-N 2.86Å; F231-A233 VanDerWaalsContact C-N 3.33Å; F231-A233 PolarHBondContact O-N 2.95Å; A233-R235 PolarHBondContact O-N 3.21Å; A233-S236 PolarHBondContact O-N 3.41Å; A233-E237 PolarHBondContact O-N 3.05Å
234F71.3Confident69.7Low46 Ų4669.1 Ų69.120%0.20235%0.346CS..Hα-helixtrans-59-45.2175.1169.7-112.6000112.5R195 D230 F231 S236 E237 I238R195-F234 HydrophobicContact CB-CD1 4.48Å; R195-F234 HydrophobicContact CB-CE1 4Å; R195-F234 HydrophobicContact CG-CE1 4.22Å; R195-F234 VanDerWaalsContact NH1-CZ 3.28Å; D230-F234 PolarHBondContact O-N 3.45Å; D230-F234 VanDerWaalsContact O-N 3.08Å; F231-F234 HydrophobicContact CD2-CD1 4.45Å; F231-F234 PolarHBondContact O-N 2.99Å; F234-S236 PolarHBondContact O-N 2.82Å; F234-E237 PolarHBondContact O-N 3Å; F234-I238 HydrophobicContact CD2-CD1 4.41Å; F234-I238 HydrophobicContact CE1-CD1 4.11Å; F234-I238 HydrophobicContact CE2-CD1 3.47Å; F234-I238 VanDerWaalsContact CE2-CD1 3.47Å; F234-I238 HydrophobicContact CE2-CG1 3.97Å; F234-I238 HydrophobicContact CZ-CD1 3.29Å; F234-I238 HydrophobicContact CZ-CG1 4.23Å; F234-I238 PolarHBondContact O-N 2.92Å; F234-I238 VanDerWaalsContact O-N 3.14Å
235R68.4Low69Low18 Ų1869.9 Ų69.97%0.06835%0.35CS..Hα-helixtrans-56.5-48.9175.2-176.2-172.5-176.41006.9111.2L192 E196 F231 A233 E237 F239L192-R235 HydrophobicContact CD1-CG 4.5Å; E196-R235 IonicContact OE1-CZ 3.53Å; E196-R235 IonicContact OE1-NH1 2.75Å; E196-R235 PolarHBondContact OE1-NH1 3.39Å; F231-R235 VanDerWaalsContact O-CB 3.28Å; F231-R235 WeakPolarHBondContact O-CB 3.5Å; F231-R235 PolarHBondContact O-N 3.48Å; A233-R235 PolarHBondContact O-N 3.21Å; R235-E237 VanDerWaalsContact C-N 3.34Å; R235-E237 PolarHBondContact O-N 3.34Å; R235-F239 HydrophobicContact CG-CD2 3.91Å; R235-F239 HydrophobicContact CG-CE2 3.72Å; R235-F239 WeakPolarHBondContact O-CD2 3.27Å; R235-F239 PolarHBondContact O-N 2.93Å; R235-F239 VanDerWaalsContact O-N 3.16Å
236S68.4Low67.8Low72 Ų7269.5 Ų69.550%0.50335%0.35SS..Hα-helixtrans-61.9-39.2178.2-72.20000112.9S232 A233 F234 F239 R240S232-S236 PolarHBondContact O-N 3.48Å; S232-S236 VanDerWaalsContact O-N 3.08Å; S232-S236 PolarHBondContact O-OG 3.48Å; A233-S236 PolarHBondContact O-N 3.41Å; F234-S236 PolarHBondContact O-N 2.82Å; S236-F239 PolarHBondContact O-N 2.85Å; S236-R240 WeakPolarHBondContact O-CB 3.48Å; S236-R240 PolarHBondContact O-N 2.78Å
237E71.9Confident67.3Low80 Ų8068.9 Ų68.937%0.37435%0.352SS..Hα-helixtrans-67.9-40.1-178.8-178.761-176.600112.7A233 F234 R235 R240 M241A233-E237 PolarHBondContact O-N 3.05Å; F234-E237 PolarHBondContact O-N 3Å; R235-E237 VanDerWaalsContact C-N 3.34Å; R235-E237 PolarHBondContact O-N 3.34Å; E237-R240 WeakPolarHBondContact O-CB 3.39Å; E237-R240 PolarHBondContact O-N 2.86Å; E237-R240 IonicContact OE1-CZ 2.8Å; E237-R240 IonicContact OE1-NE 2.77Å; E237-R240 IonicContact OE1-NH2 3.64Å; E237-R240 PolarHBondContact OE1-NH2 3.44Å; E237-R240 IonicContact OE2-CZ 3.36Å; E237-R240 IonicContact OE2-NE 3.85Å; E237-R240 PolarHBondContact OE2-NE 2.93Å; E237-R240 IonicContact OE2-NH2 2.68Å; E237-R240 PolarHBondContact OE2-NH2 3.31Å; E237-M241 PolarHBondContact O-N 3.4Å
238I65.7Low66.5Low9 Ų971.4 Ų71.45%0.04636%0.364CS..Hα-helixtrans-64.4-43.4172.2-73.3-172.7000111.1L192 F234 R240 M241 L242L192-I238 HydrophobicContact CB-CD1 4.12Å; L192-I238 HydrophobicContact CD1-CB 3.96Å; L192-I238 HydrophobicContact CD1-CD1 4.31Å; L192-I238 HydrophobicContact CD1-CG2 3.72Å; F234-I238 HydrophobicContact CD2-CD1 4.41Å; F234-I238 HydrophobicContact CE1-CD1 4.11Å; F234-I238 HydrophobicContact CE2-CD1 3.47Å; F234-I238 VanDerWaalsContact CE2-CD1 3.47Å; F234-I238 HydrophobicContact CE2-CG1 3.97Å; F234-I238 HydrophobicContact CZ-CD1 3.29Å; F234-I238 HydrophobicContact CZ-CG1 4.23Å; F234-I238 PolarHBondContact O-N 2.92Å; F234-I238 VanDerWaalsContact O-N 3.14Å; I238-R240 VanDerWaalsContact C-N 3.25Å; I238-R240 PolarHBondContact O-N 3.21Å; I238-M241 HydrophobicContact CG1-CE 4.11Å; I238-M241 PolarHBondContact O-N 3Å; I238-L242 HydrophobicContact CG2-CD1 3.76Å; I238-L242 HydrophobicContact CG2-CG 4.23Å; I238-L242 WeakPolarHBondContact O-CB 3.44Å; I238-L242 VanDerWaalsContact O-CG 3.29Å; I238-L242 WeakPolarHBondContact O-CG 3.29Å; I238-L242 PolarHBondContact O-N 3.45Å
239F63.3Low65.4Low36 Ų3668.2 Ų68.216%0.15835%0.352CS..Hα-helixtrans-63.9-29.4175-78.3-61000113.3L192 R235 S236 L242 R243 T397L192-F239 HydrophobicContact CD1-CE2 4.42Å; R235-F239 HydrophobicContact CG-CD2 3.91Å; R235-F239 HydrophobicContact CG-CE2 3.72Å; R235-F239 WeakPolarHBondContact O-CD2 3.27Å; R235-F239 PolarHBondContact O-N 2.93Å; R235-F239 VanDerWaalsContact O-N 3.16Å; S236-F239 PolarHBondContact O-N 2.85Å; F239-L242 HydrophobicContact CD1-CD1 4.17Å; F239-R243 WeakPolarHBondContact O-CB 3.25Å; F239-R243 PolarHBondContact O-N 3.35Å; F239-R243 VanDerWaalsContact O-N 3.13Å; F239-T397 HydrophobicContact CZ-CG2 4.37Å
240R67.4Low64.3Low132 Ų13262.5 Ų62.550%0.49833%0.332SS..Hα-helixtrans-66.5-50.7172.7-167.7-174.869.278.20.7111.1S236 E237 I238 L242 R243 C244S236-R240 WeakPolarHBondContact O-CB 3.48Å; S236-R240 PolarHBondContact O-N 2.78Å; E237-R240 WeakPolarHBondContact O-CB 3.39Å; E237-R240 PolarHBondContact O-N 2.86Å; E237-R240 IonicContact OE1-CZ 2.8Å; E237-R240 IonicContact OE1-NE 2.77Å; E237-R240 IonicContact OE1-NH2 3.64Å; E237-R240 PolarHBondContact OE1-NH2 3.44Å; E237-R240 IonicContact OE2-CZ 3.36Å; E237-R240 IonicContact OE2-NE 3.85Å; E237-R240 PolarHBondContact OE2-NE 2.93Å; E237-R240 IonicContact OE2-NH2 2.68Å; E237-R240 PolarHBondContact OE2-NH2 3.31Å; I238-R240 VanDerWaalsContact C-N 3.25Å; I238-R240 PolarHBondContact O-N 3.21Å; R240-L242 PolarHBondContact O-N 2.96Å; R240-R243 PolarHBondContact O-N 3.44Å; R240-C244 PolarHBondContact O-N 2.86Å; R240-C244 VanDerWaalsContact O-N 3.11Å; R240-C244 PolarHBondContact O-SG 3.36Å; R240-C244 VanDerWaalsContact O-SG 3.38Å
241M64.6Low63.7Low67 Ų6764.5 Ų64.533%0.3334%0.339SS..Hα-helixtrans-61.8-43.5177.9-68.4-170.6-68.800112.4W184 E237 I238 R243 C244 M245W184-M241 HydrophobicContact CH2-CB 4.01Å; W184-M241 HydrophobicContact CZ2-CB 4.27Å; W184-M241 HydrophobicContact CZ2-SD 4.39Å; E237-M241 PolarHBondContact O-N 3.4Å; I238-M241 HydrophobicContact CG1-CE 4.11Å; I238-M241 PolarHBondContact O-N 3Å; M241-R243 VanDerWaalsContact C-N 3.31Å; M241-R243 PolarHBondContact O-N 3.42Å; M241-C244 PolarHBondContact O-N 2.91Å; M241-M245 PolarHBondContact O-N 3.15Å; M241-M245 VanDerWaalsContact O-N 3.14Å
242L60.3Low62.7Low23 Ų2363.8 Ų63.812%0.1234%0.34CS..Hα-helixtrans-57.6-42.3175.3-74.2169.4000112.2W184 W185 I238 F239 R240 M245 D246W184-L242 HydrophobicContact CH2-CD2 4.49Å; W184-L242 HydrophobicContact CZ3-CD2 4.02Å; W185-L242 VanDerWaalsContact CD1-CD2 3.45Å; I238-L242 HydrophobicContact CG2-CD1 3.76Å; I238-L242 HydrophobicContact CG2-CG 4.23Å; I238-L242 WeakPolarHBondContact O-CB 3.44Å; I238-L242 VanDerWaalsContact O-CG 3.29Å; I238-L242 WeakPolarHBondContact O-CG 3.29Å; I238-L242 PolarHBondContact O-N 3.45Å; F239-L242 HydrophobicContact CD1-CD1 4.17Å; R240-L242 PolarHBondContact O-N 2.96Å; L242-M245 PolarHBondContact O-N 2.86Å; L242-D246 PolarHBondContact O-N 3.3Å
243R61Low61.6Low170 Ų17062.6 Ų62.664%0.64233%0.329SS*.Hα-helixtrans-70.8-30.8179.7-161.7-174-58.9-175.51.9112.8F239 R240 M241F239-R243 WeakPolarHBondContact O-CB 3.25Å; F239-R243 PolarHBondContact O-N 3.35Å; F239-R243 VanDerWaalsContact O-N 3.13Å; R240-R243 PolarHBondContact O-N 3.44Å; M241-R243 VanDerWaalsContact C-N 3.31Å; M241-R243 PolarHBondContact O-N 3.42Å
244C62Low60.9Low78 Ų7866.4 Ų66.453%0.52733%0.33SS..Hα-helixtrans-65.7-45.2171.9-66.10000111.6R240 M241 D246R240-C244 PolarHBondContact O-N 2.86Å; R240-C244 VanDerWaalsContact O-N 3.11Å; R240-C244 PolarHBondContact O-SG 3.36Å; R240-C244 VanDerWaalsContact O-SG 3.38Å; M241-C244 PolarHBondContact O-N 2.91Å; C244-D246 PolarHBondContact O-N 2.95Å
245M59.9Low60.1Low40 Ų4071.1 Ų71.120%0.19735%0.35CS..Hα-helixtrans-74.1-23.5-174.8-73.6-176.96300114.9M181 W184 M241 L242 G247 D248 I249M181-M245 HydrophobicContact CB-CE 4.28Å; M181-M245 HydrophobicContact CG-CE 3.8Å; M181-M245 HydrophobicContact SD-CE 3.93Å; W184-M245 HydrophobicContact CD2-CE 4.36Å; W184-M245 HydrophobicContact CD2-SD 4.03Å; W184-M245 HydrophobicContact CE3-CE 3.84Å; W184-M245 HydrophobicContact CE3-SD 3.56Å; W184-M245 VanDerWaalsContact CE3-SD 3.56Å; W184-M245 HydrophobicContact CH2-SD 3.59Å; W184-M245 VanDerWaalsContact CH2-SD 3.59Å; W184-M245 HydrophobicContact CZ2-SD 4.02Å; W184-M245 HydrophobicContact CZ3-CE 4.13Å; W184-M245 HydrophobicContact CZ3-SD 3.33Å; W184-M245 WeakPolarHBondContact CZ3-SD 3.36Å; M241-M245 PolarHBondContact O-N 3.15Å; M241-M245 VanDerWaalsContact O-N 3.14Å; L242-M245 PolarHBondContact O-N 2.86Å; M245-G247 PolarHBondContact O-N 2.95Å; M245-D248 PolarHBondContact O-N 2.94Å; M245-D248 VanDerWaalsContact O-N 3.08Å; M245-I249 WeakPolarHBondContact O-CG1 3.31Å; M245-I249 PolarHBondContact O-N 2.92Å
246D52.5Low59.3Low57 Ų5771 Ų7131%0.30535%0.351SS..Hα-helixtrans-56.5-37.6178.4-176.129.1000112.1L242 C244 I249 Q250L242-D246 PolarHBondContact O-N 3.3Å; C244-D246 PolarHBondContact O-N 2.95Å; D246-I249 PolarHBondContact O-N 3.3Å; D246-Q250 WeakPolarHBondContact O-CB 3.5Å; D246-Q250 WeakPolarHBondContact O-CG 3.5Å; D246-Q250 PolarHBondContact O-N 3.49Å; D246-Q250 PolarHBondContact OD1-NE2 3.32Å; D246-Q250 VanDerWaalsContact OD1-NE2 3.08Å; D246-Q250 PolarHBondContact OD2-NE2 2.84Å
247G59.6Low58.4Low44 Ų4468.9 Ų68.945%0.45434%0.338SS..Hα-helixtrans-60.6-46173.700000113.3M245 Q250 Q251M245-G247 PolarHBondContact O-N 2.95Å; G247-Q250 PolarHBondContact O-N 3.37Å; G247-Q251 WeakPolarHBondContact O-CB 3.34Å; G247-Q251 PolarHBondContact O-N 3.39Å
248D58Low57.7Low99 Ų9970 Ų7053%0.52935%0.346SS..Hα-helixtrans-65.9-41.8178-62.1-39.2000111.4M245 Q251 G252M245-D248 PolarHBondContact O-N 2.94Å; M245-D248 VanDerWaalsContact O-N 3.08Å; D248-Q251 PolarHBondContact O-N 3.46Å; D248-G252 PolarHBondContact O-N 3.24Å
249I51.8Low57.1Low38 Ų3871.6 Ų71.620%0.19535%0.353CS..Hα-helixtrans-60-50175.8-65.2169.5000110.1M181 M245 D246 Q251 G252 I253M181-I249 HydrophobicContact CE-CB 4.48Å; M181-I249 HydrophobicContact CE-CG1 3.75Å; M181-I249 HydrophobicContact SD-CG1 3.65Å; M245-I249 WeakPolarHBondContact O-CG1 3.31Å; M245-I249 PolarHBondContact O-N 2.92Å; D246-I249 PolarHBondContact O-N 3.3Å; I249-Q251 PolarHBondContact O-N 3.25Å; I249-G252 PolarHBondContact O-N 2.78Å; I249-I253 HydrophobicContact CG2-CD1 3.77Å; I249-I253 HydrophobicContact CG2-CG1 4.46Å; I249-I253 VanDerWaalsContact O-CG1 3.3Å; I249-I253 WeakPolarHBondContact O-CG1 3.14Å; I249-I253 PolarHBondContact O-N 3.34Å
250Q53.4Low56.6Low56 Ų5672.1 Ų72.126%0.26236%0.355SS..Hα-helixtrans-63.4-39.5179.2-71.7-176.838.500112.4D246 G247 I253 R254D246-Q250 WeakPolarHBondContact O-CB 3.5Å; D246-Q250 WeakPolarHBondContact O-CG 3.5Å; D246-Q250 PolarHBondContact O-N 3.49Å; D246-Q250 PolarHBondContact OD1-NE2 3.32Å; D246-Q250 VanDerWaalsContact OD1-NE2 3.08Å; D246-Q250 PolarHBondContact OD2-NE2 2.84Å; G247-Q250 PolarHBondContact O-N 3.37Å; Q250-I253 PolarHBondContact O-N 3.13Å; Q250-R254 VanDerWaalsContact O-CG 3.3Å; Q250-R254 WeakPolarHBondContact O-CG 3.36Å; Q250-R254 PolarHBondContact O-N 2.65Å
251Q60.2Low56Low138 Ų13870.9 Ų70.965%0.64535%0.354SS*.Hα-helixtrans-67.9-39.6177.5-163.1171.23400111.5G247 D248 I249 K255G247-Q251 WeakPolarHBondContact O-CB 3.34Å; G247-Q251 PolarHBondContact O-N 3.39Å; D248-Q251 PolarHBondContact O-N 3.46Å; I249-Q251 PolarHBondContact O-N 3.25Å; Q251-K255 WeakPolarHBondContact O-CB 3.46Å; Q251-K255 PolarHBondContact O-N 2.82Å; Q251-K255 VanDerWaalsContact O-N 3.07Å
252G52.6Low55.7Low16 Ų1674.5 Ų74.517%0.16537%0.368CS..Hα-helixtrans-59-49.5171.800000112.4D248 I249 R254 K255 N256D248-G252 PolarHBondContact O-N 3.24Å; I249-G252 PolarHBondContact O-N 2.78Å; G252-R254 PolarHBondContact O-N 2.99Å; G252-K255 PolarHBondContact O-N 3.21Å; G252-N256 WeakPolarHBondContact O-CB 3.36Å; G252-N256 PolarHBondContact O-N 3.46Å
253I50.2Low55.2Low33 Ų3374.1 Ų74.117%0.16937%0.366CS..Hα-helixtrans-58.6-49.9178.1-69.6166.6000111.3I249 Q250 K255 N256 A257 L373 L407I249-I253 HydrophobicContact CG2-CD1 3.77Å; I249-I253 HydrophobicContact CG2-CG1 4.46Å; I249-I253 VanDerWaalsContact O-CG1 3.3Å; I249-I253 WeakPolarHBondContact O-CG1 3.14Å; I249-I253 PolarHBondContact O-N 3.34Å; Q250-I253 PolarHBondContact O-N 3.13Å; I253-K255 VanDerWaalsContact C-N 3.31Å; I253-K255 PolarHBondContact O-N 3Å; I253-N256 PolarHBondContact O-N 3.49Å; I253-N256 VanDerWaalsContact O-N 3.14Å; I253-A257 PolarHBondContact O-N 3.36Å; I253-L373 HydrophobicContact CG2-CD2 4.21Å; I253-L407 HydrophobicContact CD1-CD1 3.77Å
254R55.3Low55Low142 Ų14267.6 Ų67.654%0.53634%0.344SS..Hα-helixtrans-59.5-41.2179.3-68.9175-159.5-174.69.6112Q250 G252Q250-R254 VanDerWaalsContact O-CG 3.3Å; Q250-R254 WeakPolarHBondContact O-CG 3.36Å; Q250-R254 PolarHBondContact O-N 2.65Å; G252-R254 PolarHBondContact O-N 2.99Å
255K56.4Low54.6Low145 Ų14566.8 Ų66.863%0.6334%0.337SS*.Hα-helixtrans-67.2-37.1177-167.5179.9-178.7-173.30111.9Q251 G252 I253 M259Q251-K255 WeakPolarHBondContact O-CB 3.46Å; Q251-K255 PolarHBondContact O-N 2.82Å; Q251-K255 VanDerWaalsContact O-N 3.07Å; G252-K255 PolarHBondContact O-N 3.21Å; I253-K255 VanDerWaalsContact C-N 3.31Å; I253-K255 PolarHBondContact O-N 3Å; K255-M259 PolarHBondContact O-N 3.5Å
256N49.8Very low54.5Low17 Ų1768 Ų689%0.09134%0.341CS..Hα-helixtrans-72.4-41.2-179.4-150.3-2.2000112.4L174 G252 I253 L258 M259 W260L174-N256 HydrophobicContact CD2-CB 3.69Å; L174-N256 HydrophobicContact CG-CB 4.49Å; G252-N256 WeakPolarHBondContact O-CB 3.36Å; G252-N256 PolarHBondContact O-N 3.46Å; I253-N256 PolarHBondContact O-N 3.49Å; I253-N256 VanDerWaalsContact O-N 3.14Å; N256-L258 PolarHBondContact O-N 2.77Å; N256-M259 PolarHBondContact O-N 3.23Å; N256-W260 PolarHBondContact O-N 3.06Å; N256-W260 VanDerWaalsContact OD1-CD1 3.22Å
257A50.5Low54.5Low27 Ų2768.3 Ų68.322%0.22335%0.345CS..Hα-helixtrans-56.7-48.1177.600000112.2I253 M259 W260 E261 L373I253-A257 PolarHBondContact O-N 3.36Å; A257-M259 PolarHBondContact O-N 2.82Å; A257-W260 PolarHBondContact O-N 2.81Å; A257-E261 PolarHBondContact O-N 2.84Å; A257-L373 HydrophobicContact CB-CD1 4.07Å; A257-L373 HydrophobicContact CB-CD2 4.05Å
258L56.5Low54.1Low104 Ų10468.5 Ų68.555%0.54534%0.335SS..Hα-helixtrans-63.2-21.4176-77.6165.1000114.2N256 K262N256-L258 PolarHBondContact O-N 2.77Å; L258-K262 WeakPolarHBondContact O-CD 3.4Å; L258-K262 WeakPolarHBondContact O-CG 3.46Å
259M53.4Low54Low41 Ų4171.1 Ų71.120%0.20234%0.337CS..Hα-helixtrans-85.7-43.3170.9-70.1-153.3-55.700112.2L170 L174 K255 N256 A257 E261 K262 I263L170-M259 HydrophobicContact CB-CE 4.31Å; L170-M259 HydrophobicContact CD2-CE 3.97Å; L170-M259 HydrophobicContact CD2-SD 3.54Å; L170-M259 VanDerWaalsContact CD2-SD 3.54Å; L174-M259 HydrophobicContact CD2-CE 4.05Å; K255-M259 PolarHBondContact O-N 3.5Å; N256-M259 PolarHBondContact O-N 3.23Å; A257-M259 PolarHBondContact O-N 2.82Å; M259-E261 VanDerWaalsContact C-N 3.32Å; M259-E261 PolarHBondContact O-N 3.15Å; M259-K262 PolarHBondContact O-N 2.87Å; M259-I263 HydrophobicContact CB-CD1 4.28Å; M259-I263 WeakPolarHBondContact O-CB 3.45Å; M259-I263 VanDerWaalsContact O-CG1 3.29Å; M259-I263 WeakPolarHBondContact O-CG1 3.47Å; M259-I263 PolarHBondContact O-N 3.46Å
260W53.1Low54.1Low48 Ų4871.5 Ų71.518%0.18234%0.336CS..Hα-helixtrans-59.8-42.9179.8-93.888.6000112.1R171 N256 A257 K262 N264R171-W260 VanDerWaalsContact NH2-CZ3 3.28Å; N256-W260 PolarHBondContact O-N 3.06Å; N256-W260 VanDerWaalsContact OD1-CD1 3.22Å; A257-W260 PolarHBondContact O-N 2.81Å; W260-K262 PolarHBondContact O-N 3.47Å; W260-N264 WeakPolarHBondContact O-CB 3.4Å; W260-N264 PolarHBondContact O-N 3.36Å
261E55.8Low54Low105 Ų10571.3 Ų71.349%0.49134%0.339SS..Hα-helixtrans-55.9-51.1173.2-173.5-178.9-142.500111.5A257 M259 V265 Y366A257-E261 PolarHBondContact O-N 2.84Å; M259-E261 VanDerWaalsContact C-N 3.32Å; M259-E261 PolarHBondContact O-N 3.15Å; E261-V265 VanDerWaalsContact O-CB 3.32Å; E261-V265 WeakPolarHBondContact O-CB 3.41Å; E261-V265 VanDerWaalsContact O-CG2 3.22Å; E261-V265 WeakPolarHBondContact O-CG2 3.26Å; E261-V265 PolarHBondContact O-N 2.89Å; E261-V265 VanDerWaalsContact O-N 3.11Å; E261-Y366 PolarHBondContact O-OH 3.35Å
262K56.9Low53.5Low144 Ų14465.5 Ų65.563%0.62631%0.313SS*.Hα-helixtrans-65.6-42.8-178.8-73.1178.6-178.9175.90113.6L258 M259 W260 K266L258-K262 WeakPolarHBondContact O-CD 3.4Å; L258-K262 WeakPolarHBondContact O-CG 3.46Å; M259-K262 PolarHBondContact O-N 2.87Å; W260-K262 PolarHBondContact O-N 3.47Å; K262-K266 PolarHBondContact O-N 3.5Å
263I51Low53.7Low14 Ų1468.7 Ų68.77%0.07232%0.324CS..Hα-helixtrans-72.9-49.7-176.5-62.5165.4000109.9Q167 R171 M259 V265 K266 T267Q167-I263 HydrophobicContact CB-CD1 4.26Å; Q167-I263 HydrophobicContact CB-CG1 4.39Å; R171-I263 HydrophobicContact CG-CD1 4.07Å; R171-I263 VanDerWaalsContact CZ-CG2 3.45Å; M259-I263 HydrophobicContact CB-CD1 4.28Å; M259-I263 WeakPolarHBondContact O-CB 3.45Å; M259-I263 VanDerWaalsContact O-CG1 3.29Å; M259-I263 WeakPolarHBondContact O-CG1 3.47Å; M259-I263 PolarHBondContact O-N 3.46Å; I263-V265 PolarHBondContact O-N 2.95Å; I263-K266 WeakPolarHBondContact O-CA 3.38Å; I263-K266 VanDerWaalsContact O-CB 3.23Å; I263-K266 WeakPolarHBondContact O-CB 3.4Å; I263-K266 PolarHBondContact O-N 3.2Å; I263-K266 VanDerWaalsContact O-N 3.08Å; I263-T267 PolarHBondContact O-N 3.2Å; I263-T267 PolarHBondContact O-OG1 2.92Å; I263-T267 VanDerWaalsContact O-OG1 3.1Å
264N55.1Low53.8Low34 Ų3470.3 Ų70.318%0.18234%0.336CS..Hα-helixtrans-66.8-34.7-178.9-83.113.1000112.2R171 W260 K266 T267 I268 Y366R171-N264 PolarHBondContact NH2-OD1 3.38Å; W260-N264 WeakPolarHBondContact O-CB 3.4Å; W260-N264 PolarHBondContact O-N 3.36Å; N264-K266 VanDerWaalsContact C-N 3.29Å; N264-K266 PolarHBondContact O-N 3.21Å; N264-T267 PolarHBondContact O-N 2.72Å; N264-I268 WeakPolarHBondContact O-CB 3.35Å; N264-I268 WeakPolarHBondContact O-CD1 3.26Å; N264-I268 VanDerWaalsContact O-CG1 3.26Å; N264-I268 WeakPolarHBondContact O-CG1 3.28Å; N264-I268 PolarHBondContact O-N 3.46Å; N264-Y366 HydrophobicContact CB-CE2 3.73Å; N264-Y366 WeakPolarHBondContact CB-OH 3.4Å
265V55Low53.5Low61 Ų6166.1 Ų66.137%0.3732%0.324SS..Hα-helixtrans-62.2-35.9171.7167.70000111.7E261 I263 R269 Y366E261-V265 VanDerWaalsContact O-CB 3.32Å; E261-V265 WeakPolarHBondContact O-CB 3.41Å; E261-V265 VanDerWaalsContact O-CG2 3.22Å; E261-V265 WeakPolarHBondContact O-CG2 3.26Å; E261-V265 PolarHBondContact O-N 2.89Å; E261-V265 VanDerWaalsContact O-N 3.11Å; I263-V265 PolarHBondContact O-N 2.95Å; V265-R269 VanDerWaalsContact O-CB 3.22Å; V265-R269 WeakPolarHBondContact O-CB 3.48Å; V265-R269 PolarHBondContact O-N 3.28Å; V265-Y366 PolarHBondContact N-OH 2.86Å
266K57.6Low53.5Low65 Ų6567.1 Ų67.128%0.28332%0.323SS..Hα-helixtrans-63.6-53.1169.7-102.8-170172.1-165.40111.2K262 I263 N264 I268 R269 R270K262-K266 PolarHBondContact O-N 3.5Å; I263-K266 WeakPolarHBondContact O-CA 3.38Å; I263-K266 VanDerWaalsContact O-CB 3.23Å; I263-K266 WeakPolarHBondContact O-CB 3.4Å; I263-K266 PolarHBondContact O-N 3.2Å; I263-K266 VanDerWaalsContact O-N 3.08Å; N264-K266 VanDerWaalsContact C-N 3.29Å; N264-K266 PolarHBondContact O-N 3.21Å; K266-I268 PolarHBondContact O-N 2.98Å; K266-R269 WeakPolarHBondContact O-CB 3.49Å; K266-R269 PolarHBondContact O-N 2.98Å; K266-R269 VanDerWaalsContact O-N 3.16Å; K266-R270 PolarHBondContact O-N 3.17Å
267T53.1Low53.6Low64 Ų6474.4 Ų74.439%0.39335%0.349SS..Hα-helixtrans-59.3-48.2-176.4-52.40000111.5I263 N264 R269 R270 T271I263-T267 PolarHBondContact O-N 3.2Å; I263-T267 PolarHBondContact O-OG1 2.92Å; I263-T267 VanDerWaalsContact O-OG1 3.1Å; N264-T267 PolarHBondContact O-N 2.72Å; T267-R269 VanDerWaalsContact C-N 3.34Å; T267-R269 PolarHBondContact O-N 3.46Å; T267-R270 PolarHBondContact O-N 3.04Å; T267-R270 VanDerWaalsContact O-N 3.16Å; T267-T271 PolarHBondContact O-N 2.88Å; T267-T271 PolarHBondContact O-OG1 2.9Å; T267-T271 VanDerWaalsContact O-OG1 3.1Å
268I51.2Low53.5Low48 Ų4878.4 Ų78.425%0.24636%0.362CS..Hα-helixtrans-57.4-48.4175.2-67.1163.7000110.2N264 K266 R270 T271 C272 I362 Y366N264-I268 WeakPolarHBondContact O-CB 3.35Å; N264-I268 WeakPolarHBondContact O-CD1 3.26Å; N264-I268 VanDerWaalsContact O-CG1 3.26Å; N264-I268 WeakPolarHBondContact O-CG1 3.28Å; N264-I268 PolarHBondContact O-N 3.46Å; K266-I268 PolarHBondContact O-N 2.98Å; I268-R270 VanDerWaalsContact C-N 3.27Å; I268-R270 PolarHBondContact O-N 2.74Å; I268-T271 PolarHBondContact O-N 2.97Å; I268-T271 VanDerWaalsContact O-N 3.17Å; I268-C272 WeakPolarHBondContact O-CB 3.39Å; I268-C272 PolarHBondContact O-N 2.81Å; I268-C272 PolarHBondContact O-SG 3.31Å; I268-I362 HydrophobicContact CD1-CG2 3.33Å; I268-I362 HydrophobicContact CG1-CG2 3.77Å; I268-I362 HydrophobicContact CG2-CG2 4.5Å; I268-Y366 HydrophobicContact CD1-CD2 4.08Å; I268-Y366 HydrophobicContact CD1-CE2 3.54Å
269R55.5Low53Low153 Ų15381.1 Ų81.158%0.57737%0.365SS*.Hα-helixtrans-58.6-38.6178.9-170.4-177.7-57.6172.92.4112.2V265 K266 T267 Q273V265-R269 VanDerWaalsContact O-CB 3.22Å; V265-R269 WeakPolarHBondContact O-CB 3.48Å; V265-R269 PolarHBondContact O-N 3.28Å; K266-R269 WeakPolarHBondContact O-CB 3.49Å; K266-R269 PolarHBondContact O-N 2.98Å; K266-R269 VanDerWaalsContact O-N 3.16Å; T267-R269 VanDerWaalsContact C-N 3.34Å; T267-R269 PolarHBondContact O-N 3.46Å; R269-Q273 WeakPolarHBondContact O-CB 3.5Å; R269-Q273 VanDerWaalsContact O-CG 3.24Å; R269-Q273 WeakPolarHBondContact O-CG 3.4Å; R269-Q273 PolarHBondContact O-N 2.91Å
270R53.9Low52.7Low47 Ų4782.6 Ų82.618%0.17738%0.38CS..Hα-helixtrans-69.4-45.2173.8-69.2-164.3-168.4120-14.9112.6E160 D164 K266 T267 I268 C272 Q273 T274E160-R270 IonicContact OE1-CZ 3.18Å; E160-R270 IonicContact OE1-NE 2.89Å; E160-R270 PolarHBondContact OE1-NE 3.14Å; E160-R270 IonicContact OE1-NH2 2.66Å; E160-R270 PolarHBondContact OE1-NH2 3.23Å; D164-R270 IonicContact OD1-CZ 2.66Å; D164-R270 IonicContact OD1-NH1 3.42Å; D164-R270 PolarHBondContact OD1-NH1 2.83Å; D164-R270 IonicContact OD1-NH2 3.55Å; D164-R270 PolarHBondContact OD1-NH2 2.86Å; D164-R270 IonicContact OD2-CZ 3.5Å; D164-R270 IonicContact OD2-NH1 2.69Å; D164-R270 PolarHBondContact OD2-NH1 2.78Å; D164-R270 IonicContact OD2-NH2 3.4Å; D164-R270 PolarHBondContact OD2-NH2 3.4Å; K266-R270 PolarHBondContact O-N 3.17Å; T267-R270 PolarHBondContact O-N 3.04Å; T267-R270 VanDerWaalsContact O-N 3.16Å; I268-R270 VanDerWaalsContact C-N 3.27Å; I268-R270 PolarHBondContact O-N 2.74Å; R270-C272 VanDerWaalsContact C-N 3.35Å; R270-C272 PolarHBondContact O-N 3.11Å; R270-Q273 CarbonylContact O-C 3.56Å; R270-Q273 PolarHBondContact O-N 2.88Å; R270-Q273 VanDerWaalsContact O-N 3.09Å; R270-T274 PolarHBondContact O-N 3.42Å; R270-T274 PolarHBondContact O-OG1 2.95Å
271T51.3Low52.3Low51 Ų5188.4 Ų88.431%0.31341%0.406SS..Hα-helixtrans-59.5-46.4176.7-53.50000110.8T267 I268 Q273 T274 L275T267-T271 PolarHBondContact O-N 2.88Å; T267-T271 PolarHBondContact O-OG1 2.9Å; T267-T271 VanDerWaalsContact O-OG1 3.1Å; I268-T271 PolarHBondContact O-N 2.97Å; I268-T271 VanDerWaalsContact O-N 3.17Å; T271-Q273 VanDerWaalsContact C-N 3.34Å; T271-Q273 PolarHBondContact O-N 3Å; T271-T274 PolarHBondContact O-N 3.11Å; T271-L275 HydrophobicContact CG2-CD1 4.14Å; T271-L275 WeakPolarHBondContact O-CB 3.45Å; T271-L275 VanDerWaalsContact O-CG 3.29Å; T271-L275 WeakPolarHBondContact O-CG 3.32Å; T271-L275 PolarHBondContact O-N 2.97Å
272C49.2Very low51.9Low16 Ų1687.5 Ų87.511%0.10841%0.407CS..Hα-helixtrans-61.2-37.1173.2-63.30000112.6I268 R270 R276 E359I268-C272 WeakPolarHBondContact O-CB 3.39Å; I268-C272 PolarHBondContact O-N 2.81Å; I268-C272 PolarHBondContact O-SG 3.31Å; R270-C272 VanDerWaalsContact C-N 3.35Å; R270-C272 PolarHBondContact O-N 3.11Å; C272-R276 VanDerWaalsContact O-CG 3.26Å; C272-R276 WeakPolarHBondContact O-CG 3.49Å; C272-R276 PolarHBondContact O-N 3.4Å; C272-E359 PolarHBondContact SG-OE1 3.27Å
273Q56.6Low50.8Low84 Ų8486.5 Ų86.539%0.39341%0.409SS..Hα-helixtrans-69.1-39174-80.9175.5-14.100112.8R269 R270 T271 R276 R277R269-Q273 WeakPolarHBondContact O-CB 3.5Å; R269-Q273 VanDerWaalsContact O-CG 3.24Å; R269-Q273 WeakPolarHBondContact O-CG 3.4Å; R269-Q273 PolarHBondContact O-N 2.91Å; R270-Q273 CarbonylContact O-C 3.56Å; R270-Q273 PolarHBondContact O-N 2.88Å; R270-Q273 VanDerWaalsContact O-N 3.09Å; T271-Q273 VanDerWaalsContact C-N 3.34Å; T271-Q273 PolarHBondContact O-N 3Å; Q273-R276 PolarHBondContact O-N 2.89Å; Q273-R277 WeakPolarHBondContact O-CG 3.4Å; Q273-R277 PolarHBondContact O-N 2.84Å
274T53Low50Low67 Ų6790.1 Ų90.141%0.41144%0.435SS..Hα-helixtrans-65.6-42.9174.8-630000110.8R270 T271 R276 R277 F278R270-T274 PolarHBondContact O-N 3.42Å; R270-T274 PolarHBondContact O-OG1 2.95Å; T271-T274 PolarHBondContact O-N 3.11Å; T274-R276 VanDerWaalsContact C-N 3.34Å; T274-R276 PolarHBondContact O-N 3.01Å; T274-R277 CarbonylContact O-C 3.5Å; T274-R277 WeakPolarHBondContact O-CA 3.49Å; T274-R277 WeakPolarHBondContact O-CB 3.49Å; T274-R277 PolarHBondContact O-N 2.71Å; T274-R277 VanDerWaalsContact O-N 3.08Å; T274-F278 HydrophobicContact CG2-CD2 4.16Å; T274-F278 HydrophobicContact CG2-CE2 4.04Å; T274-F278 WeakPolarHBondContact O-CD2 3.25Å; T274-F278 PolarHBondContact O-N 2.88Å
275L49.6Very low48.8Very low54 Ų5493.7 Ų93.728%0.28346%0.46SS..Hα-helixtrans-61.4-39.4172.8-69.4167.4000111.9T271 F278 R279 V355T271-L275 HydrophobicContact CG2-CD1 4.14Å; T271-L275 WeakPolarHBondContact O-CB 3.45Å; T271-L275 VanDerWaalsContact O-CG 3.29Å; T271-L275 WeakPolarHBondContact O-CG 3.32Å; T271-L275 PolarHBondContact O-N 2.97Å; L275-F278 PolarHBondContact O-N 3.15Å; L275-R279 PolarHBondContact O-N 2.7Å; L275-V355 HydrophobicContact CD1-CG1 4.14Å; L275-V355 HydrophobicContact CD1-CG2 4.16Å; L275-V355 HydrophobicContact CD2-CG2 4.05Å
276R55.9Low47.7Very low165 Ų16596 Ų9662%0.62348%0.477SS*.Hα-helixtrans-64.5-36170.5-71.9172.9-159.6-176.45.6113.1C272 Q273 T274 F278 R279 S280C272-R276 VanDerWaalsContact O-CG 3.26Å; C272-R276 WeakPolarHBondContact O-CG 3.49Å; C272-R276 PolarHBondContact O-N 3.4Å; Q273-R276 PolarHBondContact O-N 2.89Å; T274-R276 VanDerWaalsContact C-N 3.34Å; T274-R276 PolarHBondContact O-N 3.01Å; R276-F278 VanDerWaalsContact C-N 3.33Å; R276-R279 WeakPolarHBondContact O-CB 3.31Å; R276-R279 PolarHBondContact O-N 2.88Å; R276-S280 PolarHBondContact O-N 3.29Å
277R52.4Low46.4Very low170 Ų170101.3 Ų101.364%0.64250%0.503SS*.Hα-helixtrans-70-26.6174.5-75.2175.3176.4169.70.6113Q273 T274 S280 K281Q273-R277 WeakPolarHBondContact O-CG 3.4Å; Q273-R277 PolarHBondContact O-N 2.84Å; T274-R277 CarbonylContact O-C 3.5Å; T274-R277 WeakPolarHBondContact O-CA 3.49Å; T274-R277 WeakPolarHBondContact O-CB 3.49Å; T274-R277 PolarHBondContact O-N 2.71Å; T274-R277 VanDerWaalsContact O-N 3.08Å; R277-S280 PolarHBondContact O-OG 2.83Å; R277-K281 WeakPolarHBondContact O-CB 3.38Å; R277-K281 WeakPolarHBondContact O-CG 3.46Å; R277-K281 PolarHBondContact O-N 3.29Å
278F46.9Very low45.4Very low112 Ų112108.3 Ų108.349%0.49152%0.522SS..Hα-helixtrans-71.6-43.8165.8-85.5-76.7000111.2T274 L275 R276 S280 K281 V282T274-F278 HydrophobicContact CG2-CD2 4.16Å; T274-F278 HydrophobicContact CG2-CE2 4.04Å; T274-F278 WeakPolarHBondContact O-CD2 3.25Å; T274-F278 PolarHBondContact O-N 2.88Å; L275-F278 PolarHBondContact O-N 3.15Å; R276-F278 VanDerWaalsContact C-N 3.33Å; F278-S280 PolarHBondContact O-N 3.37Å; F278-K281 PolarHBondContact O-N 2.93Å; F278-V282 PolarHBondContact O-N 3.34Å; F278-V282 VanDerWaalsContact O-N 3.14Å
279R45.8Very low44.4Very low160 Ų160111.8 Ų111.860%0.60455%0.546SS*.Hα-helixtrans-53.5-40.3174.1-154.7-177.5-165-179.86.8111.9L275 R276 K281 Q352L275-R279 PolarHBondContact O-N 2.7Å; R276-R279 WeakPolarHBondContact O-CB 3.31Å; R276-R279 PolarHBondContact O-N 2.88Å; R279-K281 VanDerWaalsContact C-N 3.34Å; R279-K281 PolarHBondContact O-N 3.49Å; R279-Q352 VanDerWaalsContact NH2-CD 3.29Å
280S47.7Very low43.2Very low73 Ų73113.1 Ų113.151%0.5156%0.556SS.*THydrogen-bonded Turntrans-88.817.2175.876.90000115.3R276 R277 F278 D283R276-S280 PolarHBondContact O-N 3.29Å; R277-S280 PolarHBondContact O-OG 2.83Å; F278-S280 PolarHBondContact O-N 3.37Å; S280-D283 WeakPolarHBondContact CA-OD2 3.32Å
281K45.2Very low41.9Very low170 Ų170117.8 Ų117.874%0.73959%0.589SS**THydrogen-bonded Turntrans-125.4-13.6174.8-89.7-169.9171.2-169.50113.5R277 F278 R279R277-K281 WeakPolarHBondContact O-CB 3.38Å; R277-K281 WeakPolarHBondContact O-CG 3.46Å; R277-K281 PolarHBondContact O-N 3.29Å; F278-K281 PolarHBondContact O-N 2.93Å; R279-K281 VanDerWaalsContact C-N 3.34Å; R279-K281 PolarHBondContact O-N 3.49Å
282V46.3Very low40.8Very low85 Ų85120.3 Ų120.352%0.51561%0.609SS.*SBendtrans-73.4-16.8164.3179.30000110.7F278 C284F278-V282 PolarHBondContact O-N 3.34Å; F278-V282 VanDerWaalsContact O-N 3.14Å; V282-C284 PolarHBondContact O-N 2.78Å
283D34.7Very low39.8Very low123 Ų123124.9 Ų124.966%0.65865%0.648SS**  trans-65.366.8166.3-59.6-41.3000112.1S280S280-D283 WeakPolarHBondContact CA-OD2 3.32Å
284C34.4Very low38.4Very low91 Ų91125 Ų12562%0.61566%0.664SS**  trans-76.3136.9-179.8-157.90000110.5V282 C286V282-C284 PolarHBondContact O-N 2.78Å; C284-C286 PolarHBondContact O-N 2.71Å
285P29.3Very low37.2Very low108 Ų108127 Ų12770%0.70169%0.687SS**SBendtrans-81.273.7-166.432.9-37.5000113.9
286C31.9Very low36.2Very low109 Ų109129.5 Ų129.574%0.73672%0.715SS**SBendtrans-107-32.7177.2-650000114.5C284C284-C286 PolarHBondContact O-N 2.71Å
287E31.4Very low34.9Very low178 Ų178130.7 Ų130.783%0.83273%0.728SS**SBendtrans-101.42.3-171.5-64.2-161.812100115.8T289E287-T289 PolarHBondContact O-N 2.83Å
288R30.3Very low33.8Very low211 Ų211126.8 Ų126.880%0.79673%0.732SS**THydrogen-bonded Turntrans-78.653.6-168.4-158.4-177-74174.8-2.1114.7
289T31.7Very low33.1Very low120 Ų120127.3 Ų127.374%0.73674%0.744SS**THydrogen-bonded Turntrans-139.2-16.2174.3-29.20000114.5E287E287-T289 PolarHBondContact O-N 2.83Å
290F29Very low32.4Very low182 Ų182124.7 Ų124.780%0.79875%0.746SS**SBendtrans-135.3141173.5-79-88.5000111.3
291V27.1Very low31.7Very low144 Ų144128.1 Ų128.187%0.87376%0.759SS**SBendtrans62.164.2176.5-159.80000116.3
292S28.4Very low31.2Very low104 Ų104126.5 Ų126.573%0.72776%0.758SS**  trans-16438.8148.936.20000113.6
293A27.2Very low30.4Very low112 Ų112127.5 Ų127.593%0.92677%0.769SS**  trans-100.646173.900000112.2
294A27.3Very low30.5Very low88 Ų88127.2 Ų127.273%0.72777%0.774SS**SBendtrans-153.7151.4175.200000110.3
295A29.1Very low30.4Very low109 Ų109129.9 Ų129.990%0.90178%0.781SS**  trans61.546.1174.300000116.8
296A27.3Very low30.4Very low105 Ų105132.9 Ų132.987%0.86879%0.786SS**SBendtrans-11016.3157.500000112.9
297E29.2Very low30.3Very low190 Ų190133 Ų13389%0.88878%0.783SS**  trans-136.185.2177.6-71.6-168.6141.700111.1
298A30.2Very low30.1Very low89 Ų89130.1 Ų130.174%0.73678%0.778SS**  trans-164.7123.915900000112.6
299V32Very low30.1Very low123 Ų123127 Ų12775%0.74578%0.775SS**  trans45.794.5131-177.60000116.2
300T31Very low29.9Very low104 Ų104126.9 Ų126.964%0.63878%0.775SS**  55138.474.174.40000115.8
301N33.3Very low29.9Very low146 Ų146122.8 Ų122.878%0.78178%0.775SS**  trans77.9152.4168-44.4-21.2000116.1
302D33.6Very low29.9Very low135 Ų135121 Ų12172%0.72277%0.768SS**  cis-162.7140.1-41.4-148.5-37.5000110.3
303S29.9Very low30.1Very low107 Ų107124 Ų12475%0.74877%0.771SS**  trans58.6165155.2-700000121.8
304P37.1Very low30.3Very low117 Ų117126 Ų12676%0.7676%0.761SS**  trans-125.8158.5-160.441.2-26.8000117.5
305L32.6Very low30.7Very low147 Ų147127.3 Ų127.377%0.7777%0.765SS**  trans-144.4134.6168-81.9175.5000108.9
306Q29.1Very low30.9Very low170 Ų170128.5 Ų128.579%0.79476%0.761SS**  56.713891.5-67.2-170.4300114.7
307T30.5Very low31.3Very low112 Ų112128.5 Ų128.569%0.68775%0.752SS**  cis-164.9164.32.7-102.10000111.4
308V26.6Very low31.5Very low118 Ų118127 Ų12772%0.71575%0.749SS**  trans-17.7163.8162.6-169.40000119.5
309I30.7Very low31.4Very low145 Ų145127.7 Ų127.774%0.74475%0.749SS**  trans109.8104.6166.7-61165.1000111.1
310T27.4Very low31.4Very low118 Ų118127.5 Ų127.572%0.72475%0.748SS**  81135.451.467.80000116.5
311A27.7Very low31.5Very low96 Ų96132.7 Ų132.779%0.79376%0.755SS**  trans73.7151.8168.800000116.7
312S28.1Very low31.3Very low105 Ų105132 Ų13273%0.73475%0.752SS**  cis-169.2-176.8-13.8-102.10000110.8
313Q32.8Very low31.3Very low167 Ų167132.4 Ų132.478%0.7875%0.754SS**  trans76143.1173.8-54.1176.5-8800114.8
314E31.8Very low31.4Very low156 Ų156132.2 Ų132.273%0.72975%0.753SS**  cis-160144.7-9.8-107.9154.6-153.400104.9
315S35.9Very low31Very low115 Ų115135.9 Ų135.980%0.80476%0.757SS**  cis-154.6171.135-54.70000112.9
316T32.1Very low30.9Very low134 Ų134134.9 Ų134.982%0.82276%0.757SS**  trans-110.8-171.9-174.516.30000113
317P35.9Very low30.7Very low104 Ų104133 Ų13368%0.67576%0.756SS**  cis-137.2-171.1-19.128.9-5.3000115.8
318L33.2Very low30.6Very low159 Ų159135.5 Ų135.583%0.83276%0.76SS**  trans116102.2155.2-62.7165.3000113.9
319S28.7Very low30.7Very low104 Ų104136.8 Ų136.873%0.72776%0.762SS**  69.7120.173.3-155.80000111.8
320V31.4Very low30.6Very low119 Ų119135.3 Ų135.372%0.72176%0.76SS**  -157145.352.71620000112.2
321R33.1Very low30.7Very low212 Ų212135.8 Ų135.880%0.875%0.753SS**  trans32.6143.6155.4-74.3-176.1163129.2-1.9124.1
322D28.8Very low31.1Very low131 Ų131136.1 Ų136.170%0.70175%0.747SS**  trans36.1119.9131.1-36.4-31.4000117.4
323D33.1Very low31.1Very low144 Ų144138 Ų13877%0.7775%0.754SS**  -161160.361.3-142.9-36.9000115.1
324S33.4Very low31.2Very low103 Ų103135.8 Ų135.872%0.7275%0.753SS**  trans32.6110.6154-65.10000121.5
325K28.8Very low31.3Very low194 Ų194134 Ų13484%0.84375%0.752SS**  trans-53.2134.6176.2-58.7176.6-180-179.10114.6
326T29.4Very low31.3Very low126 Ų126134.9 Ų134.977%0.77375%0.747SS**  trans-122.4136.2143.746.20000109.2Q328T326-Q328 PolarHBondContact O-N 3.41Å
327V26.5Very low31.4Very low130 Ų130133.7 Ų133.779%0.78874%0.735SS**  trans-88.494.4-177.7179.80000109.1I329V327-I329 PolarHBondContact O-N 3.44Å
328Q27.6Very low31.2Very low165 Ų165136.1 Ų136.177%0.77174%0.743SS**  trans-77.5110.9168.9-74.5-169.6-12.400110.3T326 V330T326-Q328 PolarHBondContact O-N 3.41Å; Q328-V330 PolarHBondContact O-N 2.89Å
329I29.3Very low31.4Very low145 Ų145134.1 Ų134.174%0.74473%0.733SS**  trans-76.7101.2166.7-61.5177.8000107.7V327 H331V327-I329 PolarHBondContact O-N 3.44Å; I329-H331 PolarHBondContact O-N 3.23Å
330V27.7Very low31.9Very low115 Ų115135.9 Ų135.970%0.69774%0.739SS**  trans-76.4110.7176.7178.90000109.5Q328 P332Q328-V330 PolarHBondContact O-N 2.89Å; V330-P332 WeakPolarHBondContact O-CD 3.37Å
331H29.8Very low32.5Very low128 Ų128133.1 Ų133.159%0.59374%0.735SS**  trans-83.9117.3164-96.3-75.2000109.7I329I329-H331 PolarHBondContact O-N 3.23Å
332P34.8Very low33.2Very low102 Ų102128.4 Ų128.466%0.66273%0.726SS**  trans-81.8120.1175.2-5.824.3000110.2V330V330-P332 WeakPolarHBondContact O-CD 3.37Å
333T29.3Very low34.1Very low145 Ų145125.9 Ų125.989%0.8971%0.712SS**  trans-86110.1167.5-39.70000108.7
334T35.4Very low34.7Very low121 Ų121124.6 Ų124.674%0.74270%0.701SS**  trans-116.7140.3171.747.20000110.6
335T33.9Very low35.6Very low118 Ų118122.6 Ų122.672%0.72469%0.691SS**  trans-65.6147.4-176.739.20000112.6
336I34.8Very low36.6Very low133 Ų133116.1 Ų116.168%0.68267%0.674SS**  trans-92.1108.6170.4-58169.8000106.8
337D34.9Very low37.6Very low109 Ų109114.5 Ų114.558%0.58366%0.66SS**  trans-89.4141.5161.5-97.122.7000108N339 K942D337-N339 PolarHBondContact O-N 2.92Å; D337-K942 IonicContact OD2-NZ 3.26Å; D337-K942 PolarHBondContact OD2-NZ 2.88Å
338D32.5Very low38.8Very low156 Ų156110.7 Ų110.783%0.83464%0.642SS**SBendtrans-73.186.7-171.5-77.2-53.3000113.4
339N35.3Very low40.3Very low117 Ų117110.1 Ų110.163%0.62664%0.637SS**  trans-133.4114.7158.6-90.4-50.6000110.3D337 G341D337-N339 PolarHBondContact O-N 2.92Å; N339-G341 PolarHBondContact O-N 3.43Å
340T40.4Very low41.6Very low141 Ų141107.1 Ų107.187%0.86562%0.619SS**THydrogen-bonded Turntrans-73.70.8-166.8430000115.8
341G44Very low42.7Very low61 Ų61104.4 Ų104.463%0.62960%0.601SS**THydrogen-bonded Turntrans-89.7-39.217500000114.8N339 N343N339-G341 PolarHBondContact O-N 3.43Å; G341-N343 VanDerWaalsContact C-N 3.28Å; G341-N343 PolarHBondContact O-N 2.88Å
342D47.5Very low44.2Very low113 Ų113102.1 Ų102.160%0.60459%0.59SS**Hα-helixtrans-74.9-14.1-167.8-74.9-53.8000114.6E344 A345 A346D342-E344 VanDerWaalsContact C-N 3.35Å; D342-E344 PolarHBondContact O-N 3.4Å; D342-A345 PolarHBondContact O-N 3.5Å; D342-A346 WeakPolarHBondContact O-CB 3.13Å; D342-A346 PolarHBondContact O-N 3.3Å
343N47.1Very low45.4Very low77 Ų77100.7 Ų100.741%0.41258%0.582SS.*Hα-helixtrans-61-38.2-177.5-79.9-43.9000113.1G341 A346 I347G341-N343 VanDerWaalsContact C-N 3.28Å; G341-N343 PolarHBondContact O-N 2.88Å; N343-A346 PolarHBondContact O-N 2.88Å; N343-I347 WeakPolarHBondContact O-CB 3.32Å; N343-I347 WeakPolarHBondContact O-CD1 3.49Å; N343-I347 VanDerWaalsContact O-CG1 3.23Å; N343-I347 WeakPolarHBondContact O-CG1 3.25Å; N343-I347 PolarHBondContact O-N 3.42Å
344E45.3Very low46.6Very low117 Ų11797.1 Ų97.155%0.54755%0.554SS.*Hα-helixtrans-70.3-38.9178.2-64.5-162.2138.300111.7D342 I347 A348 H439D342-E344 VanDerWaalsContact C-N 3.35Å; D342-E344 PolarHBondContact O-N 3.4Å; E344-I347 PolarHBondContact O-N 2.98Å; E344-A348 VanDerWaalsContact O-CB 3.28Å; E344-A348 WeakPolarHBondContact O-CB 3.5Å; E344-A348 PolarHBondContact O-N 3.3Å; E344-H439 IonicContact OE1-CE1 2.61Å
345A52.5Low47.5Very low61 Ų6193.2 Ų93.250%0.50453%0.53SS..Hα-helixtrans-64.6-40.8174.300000112D342 K349D342-A345 PolarHBondContact O-N 3.5Å; A345-K349 VanDerWaalsContact O-CB 3.31Å; A345-K349 WeakPolarHBondContact O-CB 3.33Å; A345-K349 PolarHBondContact O-N 3.47Å
346A51.4Low48.8Very low59 Ų5991.7 Ų91.749%0.48852%0.515SS..Hα-helixtrans-64.1-44.7175.600000112.2D342 N343 K349 H350D342-A346 WeakPolarHBondContact O-CB 3.13Å; D342-A346 PolarHBondContact O-N 3.3Å; N343-A346 PolarHBondContact O-N 2.88Å; A346-K349 PolarHBondContact O-N 2.85Å; A346-H350 PolarHBondContact O-N 3.08Å
347I48.5Very low49.9Very low92 Ų9288.4 Ų88.447%0.47251%0.507SS..Hα-helixtrans-64.4-46.3176.5-70165.6000110.8N343 E344 K349 H350 L351N343-I347 WeakPolarHBondContact O-CB 3.32Å; N343-I347 WeakPolarHBondContact O-CD1 3.49Å; N343-I347 VanDerWaalsContact O-CG1 3.23Å; N343-I347 WeakPolarHBondContact O-CG1 3.25Å; N343-I347 PolarHBondContact O-N 3.42Å; E344-I347 PolarHBondContact O-N 2.98Å; I347-K349 VanDerWaalsContact C-N 3.29Å; I347-K349 PolarHBondContact O-N 2.86Å; I347-H350 PolarHBondContact O-N 2.88Å; I347-L351 HydrophobicContact CG2-CD1 3.95Å; I347-L351 HydrophobicContact CG2-CG 4.4Å; I347-L351 WeakPolarHBondContact O-CB 3.36Å; I347-L351 WeakPolarHBondContact O-CG 3.5Å; I347-L351 PolarHBondContact O-N 2.95Å
348A52Low50.8Low49 Ų4985 Ų8541%0.40549%0.489SS..Hα-helixtrans-58.7-40.6176.800000112E344 Q352E344-A348 VanDerWaalsContact O-CB 3.28Å; E344-A348 WeakPolarHBondContact O-CB 3.5Å; E344-A348 PolarHBondContact O-N 3.3Å; A348-Q352 WeakPolarHBondContact O-CB 3.49Å; A348-Q352 PolarHBondContact O-N 3.44Å
349K60.5Low51.8Low153 Ų15380.7 Ų80.767%0.66546%0.464SS*.Hα-helixtrans-68.1-41.6176.2-165.8174-176178.90112.3A345 A346 I347 Q352 C353A345-K349 VanDerWaalsContact O-CB 3.31Å; A345-K349 WeakPolarHBondContact O-CB 3.33Å; A345-K349 PolarHBondContact O-N 3.47Å; A346-K349 PolarHBondContact O-N 2.85Å; I347-K349 VanDerWaalsContact C-N 3.29Å; I347-K349 PolarHBondContact O-N 2.86Å; K349-Q352 PolarHBondContact O-N 2.84Å; K349-C353 PolarHBondContact O-N 2.91Å; K349-C353 PolarHBondContact O-SG 2.75Å; K349-C353 VanDerWaalsContact O-SG 3.34Å
350H55.8Low52.9Low83 Ų8379 Ų7938%0.38446%0.455SS..Hα-helixtrans-64.2-42.1175.3-177.348.2000112.2A346 I347 C353 K354A346-H350 PolarHBondContact O-N 3.08Å; I347-H350 PolarHBondContact O-N 2.88Å; H350-C353 PolarHBondContact O-N 3.2Å; H350-K354 VanDerWaalsContact NE2-CE 3.32Å; H350-K354 WeakPolarHBondContact NE2-CE 3.36Å; H350-K354 PolarHBondContact NE2-NZ 3Å; H350-K354 PolarHBondContact O-N 3.49Å
351L51Low53.6Low58 Ų5873.7 Ų73.730%0.30443%0.428SS..Hα-helixtrans-60.9-43.1174.1-72.8172000111.6I347 K354 V355 L432I347-L351 HydrophobicContact CG2-CD1 3.95Å; I347-L351 HydrophobicContact CG2-CG 4.4Å; I347-L351 WeakPolarHBondContact O-CB 3.36Å; I347-L351 WeakPolarHBondContact O-CG 3.5Å; I347-L351 PolarHBondContact O-N 2.95Å; L351-K354 PolarHBondContact O-N 3.05Å; L351-V355 WeakPolarHBondContact O-CG2 3.48Å; L351-V355 PolarHBondContact O-N 3.38Å; L351-L432 HydrophobicContact CD2-CD1 3.75Å
352Q61Low54Low79 Ų7972.2 Ų72.237%0.36941%0.405SS..Hα-helixtrans-60.8-46176-178.1171.4-23.300112.1R279 A348 K349 K354 V355 E356R279-Q352 VanDerWaalsContact NH2-CD 3.29Å; A348-Q352 WeakPolarHBondContact O-CB 3.49Å; A348-Q352 PolarHBondContact O-N 3.44Å; K349-Q352 PolarHBondContact O-N 2.84Å; Q352-K354 VanDerWaalsContact C-N 3.33Å; Q352-K354 PolarHBondContact O-N 3.24Å; Q352-V355 PolarHBondContact O-N 2.79Å; Q352-V355 VanDerWaalsContact O-N 3.14Å; Q352-E356 HydrophobicContact CG-CG 4.48Å; Q352-E356 VanDerWaalsContact CG-OE1 3.29Å; Q352-E356 WeakPolarHBondContact CG-OE1 3.36Å; Q352-E356 PolarHBondContact NE2-OE1 2.71Å; Q352-E356 PolarHBondContact O-N 2.84Å
353C59.6Low54.4Low73 Ų7373.7 Ų73.749%0.49340%0.403SS..Hα-helixtrans-60.5-39.7176.4-65.30000112.6K349 H350 E356 A357K349-C353 PolarHBondContact O-N 2.91Å; K349-C353 PolarHBondContact O-SG 2.75Å; K349-C353 VanDerWaalsContact O-SG 3.34Å; H350-C353 PolarHBondContact O-N 3.2Å; C353-E356 PolarHBondContact O-N 3.18Å; C353-A357 WeakPolarHBondContact O-CB 3.39Å; C353-A357 PolarHBondContact O-N 3.41Å
354K55.4Low54.9Low69 Ų6976.2 Ų76.230%0.341%0.412SS..Hα-helixtrans-64.5-37.4174.5-85-176.4168170.60112.5H350 L351 Q352 L358 S431H350-K354 VanDerWaalsContact NE2-CE 3.32Å; H350-K354 WeakPolarHBondContact NE2-CE 3.36Å; H350-K354 PolarHBondContact NE2-NZ 3Å; H350-K354 PolarHBondContact O-N 3.49Å; L351-K354 PolarHBondContact O-N 3.05Å; Q352-K354 VanDerWaalsContact C-N 3.33Å; Q352-K354 PolarHBondContact O-N 3.24Å; K354-L358 PolarHBondContact O-N 3.36Å; K354-S431 PolarHBondContact NZ-OG 2.74Å
355V53.8Low55.1Low39 Ų3972.9 Ų72.924%0.23640%0.401CS..Hα-helixtrans-67.4-45.5175.6169.30000111.6L275 L351 Q352 A357 L358 E359L275-V355 HydrophobicContact CD1-CG1 4.14Å; L275-V355 HydrophobicContact CD1-CG2 4.16Å; L275-V355 HydrophobicContact CD2-CG2 4.05Å; L351-V355 WeakPolarHBondContact O-CG2 3.48Å; L351-V355 PolarHBondContact O-N 3.38Å; Q352-V355 PolarHBondContact O-N 2.79Å; Q352-V355 VanDerWaalsContact O-N 3.14Å; V355-A357 VanDerWaalsContact C-N 3.33Å; V355-A357 PolarHBondContact O-N 2.96Å; V355-L358 WeakPolarHBondContact O-CB 3.43Å; V355-L358 PolarHBondContact O-N 2.78Å; V355-E359 PolarHBondContact O-N 3.44Å
356E61.3Low55Low87 Ų8772 Ų7241%0.40739%0.385SS..Hα-helixtrans-64-36.4179-71.8173.7-164.300112.1Q352 C353 E359 N360Q352-E356 HydrophobicContact CG-CG 4.48Å; Q352-E356 VanDerWaalsContact CG-OE1 3.29Å; Q352-E356 WeakPolarHBondContact CG-OE1 3.36Å; Q352-E356 PolarHBondContact NE2-OE1 2.71Å; Q352-E356 PolarHBondContact O-N 2.84Å; C353-E356 PolarHBondContact O-N 3.18Å; E356-E359 PolarHBondContact O-N 3.32Å; E356-N360 VanDerWaalsContact O-CG 3.28Å; E356-N360 PolarHBondContact O-N 3.34Å; E356-N360 VanDerWaalsContact O-N 3.14Å; E356-N360 PolarHBondContact O-ND2 3.28Å; E356-N360 VanDerWaalsContact O-ND2 3.14Å
357A57.4Low55.2Low63 Ų6372.6 Ų72.652%0.52139%0.385SS..Hα-helixtrans-62-44.3171.700000112.3C353 V355 N360 G361C353-A357 WeakPolarHBondContact O-CB 3.39Å; C353-A357 PolarHBondContact O-N 3.41Å; V355-A357 VanDerWaalsContact C-N 3.33Å; V355-A357 PolarHBondContact O-N 2.96Å; A357-N360 PolarHBondContact O-N 3.08Å; A357-G361 PolarHBondContact O-N 3.37Å
358L53.6Low55.5Low39 Ų3974 Ų7420%0.20439%0.39CS..Hα-helixtrans-63.3-44.2176.5-112.6160.9000112.1K354 V355 N360 G361 I362 A428K354-L358 PolarHBondContact O-N 3.36Å; V355-L358 WeakPolarHBondContact O-CB 3.43Å; V355-L358 PolarHBondContact O-N 2.78Å; L358-N360 PolarHBondContact O-N 3.2Å; L358-G361 PolarHBondContact O-N 2.83Å; L358-I362 HydrophobicContact CD2-CD1 4.13Å; L358-I362 WeakPolarHBondContact O-CB 3.46Å; L358-I362 WeakPolarHBondContact O-CD1 3.41Å; L358-I362 VanDerWaalsContact O-CG1 3.25Å; L358-I362 WeakPolarHBondContact O-CG1 3.38Å; L358-I362 PolarHBondContact O-N 2.83Å; L358-I362 VanDerWaalsContact O-N 3.11Å; L358-A428 HydrophobicContact CD1-CB 3.92Å
359E53.9Low55.3Low65 Ų6573.5 Ų73.530%0.30438%0.38SS..Hα-helixtrans-66-20.4176.6-73.2-165.7172.600113.8C272 V355 E356 R363C272-E359 PolarHBondContact SG-OE1 3.27Å; V355-E359 PolarHBondContact O-N 3.44Å; E356-E359 PolarHBondContact O-N 3.32Å; E359-R363 PolarHBondContact O-NE 3.02Å; E359-R363 PolarHBondContact O-NH2 3.01Å
360N59.3Low55Low81 Ų8170.1 Ų70.143%0.43337%0.37SS..Hα-helixtrans-87.2-46.8174.9-72.1-29.1000111.9E356 A357 L358 I362 R363 E364E356-N360 VanDerWaalsContact O-CG 3.28Å; E356-N360 PolarHBondContact O-N 3.34Å; E356-N360 VanDerWaalsContact O-N 3.14Å; E356-N360 PolarHBondContact O-ND2 3.28Å; E356-N360 VanDerWaalsContact O-ND2 3.14Å; A357-N360 PolarHBondContact O-N 3.08Å; L358-N360 PolarHBondContact O-N 3.2Å; N360-I362 VanDerWaalsContact C-N 3.33Å; N360-I362 PolarHBondContact O-N 3.47Å; N360-R363 WeakPolarHBondContact O-CA 3.43Å; N360-R363 WeakPolarHBondContact O-CB 3.36Å; N360-R363 PolarHBondContact O-N 2.98Å; N360-R363 PolarHBondContact OD1-NH1 2.94Å; N360-R363 PolarHBondContact OD1-NH2 2.99Å; N360-E364 PolarHBondContact O-N 3.19Å; N360-E364 VanDerWaalsContact O-N 3.09Å
361G54.9Low55Low30 Ų3069.4 Ų69.431%0.30937%0.374SS..Hα-helixtrans-61.3-38.8177.700000113.2A357 L358 R363 E364 C365A357-G361 PolarHBondContact O-N 3.37Å; L358-G361 PolarHBondContact O-N 2.83Å; G361-R363 PolarHBondContact O-N 3.27Å; G361-E364 PolarHBondContact O-N 2.87Å; G361-C365 PolarHBondContact O-N 3.42Å; G361-C365 VanDerWaalsContact O-N 3.15Å; G361-C365 PolarHBondContact O-SG 3.42Å
362I51.7Low55.1Low30 Ų3068.3 Ų68.315%0.15437%0.37CS..Hα-helixtrans-55.4-35.2170.2-76.4169.5000112I268 L358 N360 Y366 L421I268-I362 HydrophobicContact CD1-CG2 3.33Å; I268-I362 HydrophobicContact CG1-CG2 3.77Å; I268-I362 HydrophobicContact CG2-CG2 4.5Å; L358-I362 HydrophobicContact CD2-CD1 4.13Å; L358-I362 WeakPolarHBondContact O-CB 3.46Å; L358-I362 WeakPolarHBondContact O-CD1 3.41Å; L358-I362 VanDerWaalsContact O-CG1 3.25Å; L358-I362 WeakPolarHBondContact O-CG1 3.38Å; L358-I362 PolarHBondContact O-N 2.83Å; L358-I362 VanDerWaalsContact O-N 3.11Å; N360-I362 VanDerWaalsContact C-N 3.33Å; N360-I362 PolarHBondContact O-N 3.47Å; I362-Y366 PolarHBondContact O-N 3.46Å; I362-L421 HydrophobicContact CD1-CD1 4.31Å; I362-L421 HydrophobicContact CG1-CD1 3.59Å
363R57.2Low54.5Low144 Ų14466.4 Ų66.454%0.54336%0.362SS..Hα-helixtrans-76.2-40-177.1-137.7176.1-59152.710.1111.7E359 N360 G361 Y366 S367E359-R363 PolarHBondContact O-NE 3.02Å; E359-R363 PolarHBondContact O-NH2 3.01Å; N360-R363 WeakPolarHBondContact O-CA 3.43Å; N360-R363 WeakPolarHBondContact O-CB 3.36Å; N360-R363 PolarHBondContact O-N 2.98Å; N360-R363 PolarHBondContact OD1-NH1 2.94Å; N360-R363 PolarHBondContact OD1-NH2 2.99Å; G361-R363 PolarHBondContact O-N 3.27Å; R363-Y366 WeakPolarHBondContact O-CB 3.46Å; R363-Y366 PolarHBondContact O-N 2.89Å; R363-S367 PolarHBondContact O-N 3.49Å; R363-S367 VanDerWaalsContact O-N 3.12Å
364E55.9Low54.2Low129 Ų12965.3 Ų65.360%0.60336%0.358SS*.Hα-helixtrans-63.8-50.3175.2-72.5-170.2125.300111.3N360 G361 Y366 S367 E368N360-E364 PolarHBondContact O-N 3.19Å; N360-E364 VanDerWaalsContact O-N 3.09Å; G361-E364 PolarHBondContact O-N 2.87Å; E364-Y366 PolarHBondContact O-N 3.3Å; E364-Y366 VanDerWaalsContact O-N 3.16Å; E364-S367 WeakPolarHBondContact O-CA 3.49Å; E364-S367 WeakPolarHBondContact O-CB 3.42Å; E364-S367 PolarHBondContact O-N 2.78Å; E364-S367 PolarHBondContact O-OG 2.85Å; E364-E368 PolarHBondContact O-N 3.16Å
365C49.2Very low54.1Low47 Ų4766.2 Ų66.232%0.31837%0.373SS..Hα-helixtrans-56.8-34.3177.1-64.90000113G361 L369G361-C365 PolarHBondContact O-N 3.42Å; G361-C365 VanDerWaalsContact O-N 3.15Å; G361-C365 PolarHBondContact O-SG 3.42Å; C365-L369 WeakPolarHBondContact O-CB 3.21Å; C365-L369 PolarHBondContact O-N 3.34Å
366Y50.5Low53.8Low42 Ų4266.3 Ų66.317%0.16537%0.372CS..Hα-helixtrans-67.7-38.7173.7-118.9-80.5000112.9E261 N264 V265 I268 I362 R363 E364 N370E261-Y366 PolarHBondContact O-OH 3.35Å; N264-Y366 HydrophobicContact CB-CE2 3.73Å; N264-Y366 WeakPolarHBondContact CB-OH 3.4Å; V265-Y366 PolarHBondContact N-OH 2.86Å; I268-Y366 HydrophobicContact CD1-CD2 4.08Å; I268-Y366 HydrophobicContact CD1-CE2 3.54Å; I362-Y366 PolarHBondContact O-N 3.46Å; R363-Y366 WeakPolarHBondContact O-CB 3.46Å; R363-Y366 PolarHBondContact O-N 2.89Å; E364-Y366 PolarHBondContact O-N 3.3Å; E364-Y366 VanDerWaalsContact O-N 3.16Å; Y366-N370 WeakPolarHBondContact O-CB 3.38Å; Y366-N370 PolarHBondContact O-N 3.3Å
367S56.8Low53.2Low72 Ų7267.7 Ų67.750%0.50338%0.38SS..Hα-helixtrans-69.8-37.4178.3730000112.3R363 E364 S371R363-S367 PolarHBondContact O-N 3.49Å; R363-S367 VanDerWaalsContact O-N 3.12Å; E364-S367 WeakPolarHBondContact O-CA 3.49Å; E364-S367 WeakPolarHBondContact O-CB 3.42Å; E364-S367 PolarHBondContact O-N 2.78Å; E364-S367 PolarHBondContact O-OG 2.85Å; S367-S371 PolarHBondContact O-N 3.21Å; S367-S371 VanDerWaalsContact O-N 3.12Å
368E53.9Low53.1Low122 Ų12271.5 Ų71.557%0.5739%0.391SS*.Hα-helixtrans-64.7-47.5171.7-66.7-169.4140.200111.4E364 N370 S371 V372E364-E368 PolarHBondContact O-N 3.16Å; E368-N370 VanDerWaalsContact C-N 3.29Å; E368-N370 PolarHBondContact O-N 2.92Å; E368-S371 PolarHBondContact O-N 3.36Å; E368-S371 VanDerWaalsContact O-N 3.12Å; E368-S371 PolarHBondContact O-OG 3.48Å; E368-V372 WeakPolarHBondContact O-CG2 3.38Å; E368-V372 PolarHBondContact O-N 2.96Å
369L49.2Very low52.5Low38 Ų3873 Ų7320%0.19940%0.402CS..Hα-helixtrans-58.2-41.617817959.1000112.2C365 V372 L373 L414C365-L369 WeakPolarHBondContact O-CB 3.21Å; C365-L369 PolarHBondContact O-N 3.34Å; L369-V372 PolarHBondContact O-N 2.85Å; L369-L373 HydrophobicContact CD1-CD1 4.36Å; L369-L373 HydrophobicContact CG-CD1 4.27Å; L369-L373 WeakPolarHBondContact O-CB 3.43Å; L369-L373 PolarHBondContact O-N 3.49Å; L369-L414 HydrophobicContact CD1-CD1 3.64Å; L369-L414 HydrophobicContact CD1-CG 4.01Å
370N53Low51.7Low83 Ų8374.4 Ų74.444%0.44442%0.417SS..Hα-helixtrans-67.2-34.7177.1-78.5-3.4000112.8Y366 E368 L373 A374Y366-N370 WeakPolarHBondContact O-CB 3.38Å; Y366-N370 PolarHBondContact O-N 3.3Å; E368-N370 VanDerWaalsContact C-N 3.29Å; E368-N370 PolarHBondContact O-N 2.92Å; N370-L373 PolarHBondContact O-N 3.45Å; N370-A374 WeakPolarHBondContact O-CB 3.26Å; N370-A374 PolarHBondContact O-N 2.82Å
371S57.3Low50.8Low67 Ų6775.2 Ų75.247%0.46943%0.427SS..Hα-helixtrans-71.1-36.1176.377.10000112.3S367 E368 S375S367-S371 PolarHBondContact O-N 3.21Å; S367-S371 VanDerWaalsContact O-N 3.12Å; E368-S371 PolarHBondContact O-N 3.36Å; E368-S371 VanDerWaalsContact O-N 3.12Å; E368-S371 PolarHBondContact O-OG 3.48Å; S371-S375 WeakPolarHBondContact O-CB 3.25Å; S371-S375 PolarHBondContact O-N 3.11Å; S371-S375 PolarHBondContact O-OG 2.71Å
372V51.5Low50.1Low36 Ų3679.8 Ų79.822%0.21845%0.448CS..Hα-helixtrans-67.2-40.5173.2174.70000111.3E368 L369 S375 L376 A410E368-V372 WeakPolarHBondContact O-CG2 3.38Å; E368-V372 PolarHBondContact O-N 2.96Å; L369-V372 PolarHBondContact O-N 2.85Å; V372-S375 PolarHBondContact O-N 2.89Å; V372-L376 HydrophobicContact CG1-CD1 4.43Å; V372-L376 PolarHBondContact O-N 2.67Å; V372-L376 VanDerWaalsContact O-N 3.12Å; V372-A410 HydrophobicContact CG1-CB 3.46Å; V372-A410 VanDerWaalsContact CG1-CB 3.46Å
373L49.4Very low49.4Very low38 Ų3885.3 Ų85.320%0.19948%0.478CS..Hα-helixtrans-64.9-43.4174.7-88.9164.8000112.6I253 A257 L369 N370 S375 L376 M377I253-L373 HydrophobicContact CG2-CD2 4.21Å; A257-L373 HydrophobicContact CB-CD1 4.07Å; A257-L373 HydrophobicContact CB-CD2 4.05Å; L369-L373 HydrophobicContact CD1-CD1 4.36Å; L369-L373 HydrophobicContact CG-CD1 4.27Å; L369-L373 WeakPolarHBondContact O-CB 3.43Å; L369-L373 PolarHBondContact O-N 3.49Å; N370-L373 PolarHBondContact O-N 3.45Å; L373-S375 VanDerWaalsContact C-N 3.34Å; L373-S375 PolarHBondContact O-N 3.01Å; L373-L376 PolarHBondContact O-N 3.5Å; L373-M377 PolarHBondContact O-N 3.18Å; L373-M377 VanDerWaalsContact O-N 3.14Å
374A53.6Low48.3Very low50 Ų5083.1 Ų83.141%0.41348%0.48SS..Hα-helixtrans-59.4-46.1173.600000111.3N370 L376 M377 D378N370-A374 WeakPolarHBondContact O-CB 3.26Å; N370-A374 PolarHBondContact O-N 2.82Å; A374-L376 PolarHBondContact O-N 3.22Å; A374-M377 PolarHBondContact O-N 3.38Å; A374-D378 PolarHBondContact O-N 2.86Å
375S52.4Low47.3Very low89 Ų8982 Ų8262%0.62248%0.484SS*.Hα-helixtrans-60.5-25.7177.5-56.30000113.9S371 V372 L373S371-S375 WeakPolarHBondContact O-CB 3.25Å; S371-S375 PolarHBondContact O-N 3.11Å; S371-S375 PolarHBondContact O-OG 2.71Å; V372-S375 PolarHBondContact O-N 2.89Å; L373-S375 VanDerWaalsContact C-N 3.34Å; L373-S375 PolarHBondContact O-N 3.01Å
376L47.1Very low46.6Very low40 Ų4084.1 Ų84.121%0.20951%0.505CS..Hα-helixtrans-86.8-18174.5-88.9162.4000113.5V372 L373 A374 L407 A410V372-L376 HydrophobicContact CG1-CD1 4.43Å; V372-L376 PolarHBondContact O-N 2.67Å; V372-L376 VanDerWaalsContact O-N 3.12Å; L373-L376 PolarHBondContact O-N 3.5Å; A374-L376 PolarHBondContact O-N 3.22Å; L376-L407 HydrophobicContact CD1-CD1 4.14Å; L376-L407 HydrophobicContact CD2-CD1 4.02Å; L376-A410 HydrophobicContact CD1-CB 3.92Å
377M50.1Low46Very low117 Ų11789.7 Ų89.758%0.57654%0.538SS*.Hα-helixtrans-90.6-24.2179.3-77.9-177.850.100113.8L373 A374 V379L373-M377 PolarHBondContact O-N 3.18Å; L373-M377 VanDerWaalsContact O-N 3.14Å; A374-M377 PolarHBondContact O-N 3.38Å; M377-V379 PolarHBondContact O-N 3.39Å
378D54Low44.8Very low142 Ų14290 Ų9076%0.75954%0.544SS*.  trans-79.711.2-177.9-84.1-18.5000114.8A374 P380A374-D378 PolarHBondContact O-N 2.86Å; D378-P380 WeakPolarHBondContact O-CD 3.37Å
379V42.1Very low43.8Very low72 Ų7293.4 Ų93.444%0.43656%0.56SS.*  trans-82.2114171.4-176.90000109.2M377 L403M377-V379 PolarHBondContact O-N 3.39Å; V379-L403 HydrophobicContact CG1-CD1 4.48Å
380P37.1Very low43Very low94 Ų9497.1 Ų97.161%0.6159%0.59SS**  trans-72145-177.229.5-35.1000111.9D378 V382D378-P380 WeakPolarHBondContact O-CD 3.37Å; P380-V382 PolarHBondContact O-N 2.96Å
381P40.1Very low41.9Very low98 Ų9896.4 Ų96.464%0.63660%0.602SS**  trans-64.6129.617427.8-33.9000110.4D383P381-D383 VanDerWaalsContact C-N 3.3Å; P381-D383 PolarHBondContact O-N 2.97Å; P381-D383 VanDerWaalsContact O-N 3.11Å
382V41.1Very low40.6Very low126 Ų12697.7 Ų97.776%0.76462%0.617SS**  trans-88.972.3178.8-177.10000109.3P380 V384P380-V382 PolarHBondContact O-N 2.96Å; V382-V384 HydrophobicContact CG1-CG2 3.96Å; V382-V384 PolarHBondContact O-N 3.28Å
383D35.3Very low39.7Very low145 Ų145102.3 Ų102.378%0.77565%0.645SS**  trans-69.391.5174.2-73.9-38.8000110.6P381P381-D383 VanDerWaalsContact C-N 3.3Å; P381-D383 PolarHBondContact O-N 2.97Å; P381-D383 VanDerWaalsContact O-N 3.11Å
384V34.5Very low38.8Very low98 Ų98107.5 Ų107.559%0.59467%0.666SS**  trans-104.2120.4169176.10000108.5V382V382-V384 HydrophobicContact CG1-CG2 3.96Å; V382-V384 PolarHBondContact O-N 3.28Å
385P35.1Very low37.9Very low105 Ų105109 Ų10968%0.68267%0.671SS**  trans-66.7156.9-176.627.5-34.9000112.6D387P385-D387 PolarHBondContact O-N 2.77Å
386A35.3Very low37.4Very low92 Ų92107.6 Ų107.676%0.7666%0.661SS**SBendtrans-74.1-16.5-164.400000115.8A388A386-A388 PolarHBondContact O-N 3.3Å
387D36.8Very low37.3Very low159 Ų159107.7 Ų107.785%0.8566%0.663SS**  trans-83.926.6-162.9-55.4-47.2000115.4P385P385-D387 PolarHBondContact O-N 2.77Å
388A32.7Very low37Very low78 Ų78105.6 Ų105.665%0.64566%0.659SS**  trans-103.442.9-173.100000114.2A386 S390A386-A388 PolarHBondContact O-N 3.3Å; A388-S390 PolarHBondContact O-N 2.86Å
389E32.4Very low36.5Very low194 Ų194101.5 Ų101.591%0.90764%0.642SS**  trans-73.344.2-179.1-68.6-157.6134.500115.4
390S32.6Very low36.7Very low116 Ų116100 Ų10081%0.81164%0.635SS**SBendtrans-163.5122.8154.355.20000112.2A388A388-S390 PolarHBondContact O-N 2.86Å
391G29.5Very low37.5Very low69 Ų6998.4 Ų98.471%0.71162%0.621SS**  trans96.960.3177.100000114.3T393G391-T393 VanDerWaalsContact C-N 3.33Å; G391-T393 PolarHBondContact O-N 3.29Å
392A30.1Very low38Very low93 Ų9396.5 Ų96.577%0.76961%0.613SS**  trans-67.585.1174.300000112F394A392-F394 PolarHBondContact O-N 3.2Å
393T31.7Very low38.5Very low133 Ų13393.6 Ų93.682%0.81659%0.593SS**  trans-57.7123.8160.637.10000109G391 V395G391-T393 VanDerWaalsContact C-N 3.33Å; G391-T393 PolarHBondContact O-N 3.29Å; T393-V395 PolarHBondContact O-N 3.25Å
394F30.4Very low39.2Very low147 Ų14787.7 Ų87.765%0.64556%0.564SS**  trans-62.4121.4-170.4-79.7-148.3000110.9A392 S396A392-F394 PolarHBondContact O-N 3.2Å; F394-S396 PolarHBondContact O-N 3.27Å; F394-S396 VanDerWaalsContact O-N 3.13Å
395V36.2Very low40.2Very low83 Ų8388.3 Ų88.350%0.50356%0.56SS.*  trans-62.2114.5152.7178.50000105.9T393T393-V395 PolarHBondContact O-N 3.25Å
396S41.3Very low41Very low59 Ų5985.9 Ų85.941%0.41355%0.546SS..  trans-60.3138.3-175.2177.60000110.8F394 S398 S399F394-S396 PolarHBondContact O-N 3.27Å; F394-S396 VanDerWaalsContact O-N 3.13Å; S396-S398 WeakPolarHBondContact CB-OG 3.48Å; S396-S398 PolarHBondContact O-N 2.87Å; S396-S398 PolarHBondContact OG-N 3.48Å; S396-S398 PolarHBondContact OG-OG 3.19Å; S396-S399 PolarHBondContact O-N 3.29Å; S396-S399 VanDerWaalsContact O-N 3.09Å; S396-S399 PolarHBondContact O-OG 3.05Å; S396-S399 VanDerWaalsContact O-OG 3.09Å
397T44.2Very low41.7Very low42 Ų4283.7 Ų83.726%0.25852%0.521SS..Hα-helixtrans-51.8-26.2172.3-14.30000111.9L192 F239 S399 L401L192-T397 HydrophobicContact CD2-CG2 4.41Å; F239-T397 HydrophobicContact CZ-CG2 4.37Å; T397-S399 PolarHBondContact O-N 3Å; T397-L401 WeakPolarHBondContact O-CB 3.22Å; T397-L401 PolarHBondContact O-N 3.28Å
398S44.8Very low42.5Very low72 Ų7277.4 Ų77.450%0.50349%0.494SS..Hα-helixtrans-66.2-27.5179.163.70000115.6S396 A402S396-S398 WeakPolarHBondContact CB-OG 3.48Å; S396-S398 PolarHBondContact O-N 2.87Å; S396-S398 PolarHBondContact OG-N 3.48Å; S396-S398 PolarHBondContact OG-OG 3.19Å; S398-A402 WeakPolarHBondContact O-CB 3.47Å; S398-A402 PolarHBondContact O-N 3.44Å
399S43.2Very low43.7Very low57 Ų5780.4 Ų80.440%0.39949%0.492SS..Hα-helixtrans-72.9-49.6-17558.50000111.9S396 T397 L401 A402 L403S396-S399 PolarHBondContact O-N 3.29Å; S396-S399 VanDerWaalsContact O-N 3.09Å; S396-S399 PolarHBondContact O-OG 3.05Å; S396-S399 VanDerWaalsContact O-OG 3.09Å; T397-S399 PolarHBondContact O-N 3Å; S399-L401 VanDerWaalsContact C-N 3.27Å; S399-L401 PolarHBondContact O-N 3.41Å; S399-A402 PolarHBondContact O-N 3.39Å; S399-L403 PolarHBondContact O-N 2.78Å; S399-L403 VanDerWaalsContact O-N 3.16Å
400C47.3Very low44.5Very low41 Ų4171.8 Ų71.828%0.27745%0.454SS..Hα-helixtrans-63.5-34.7173.6-58.20000111.8A404C400-A404 PolarHBondContact O-N 2.87Å; C400-A404 VanDerWaalsContact O-N 3.17Å
401L52.5Low45.4Very low60 Ų6070 Ų7031%0.31444%0.438SS..Hα-helixtrans-63.6-42.9173.4-112156.6000112.1T397 S399 Q405T397-L401 WeakPolarHBondContact O-CB 3.22Å; T397-L401 PolarHBondContact O-N 3.28Å; S399-L401 VanDerWaalsContact C-N 3.27Å; S399-L401 PolarHBondContact O-N 3.41Å; L401-Q405 HydrophobicContact CD2-CG 4.49Å; L401-Q405 WeakPolarHBondContact O-CB 3.29Å; L401-Q405 VanDerWaalsContact O-CG 3.24Å; L401-Q405 WeakPolarHBondContact O-CG 3.39Å; L401-Q405 PolarHBondContact O-N 3.4Å
402A51.1Low46.8Very low57 Ų5771.4 Ų71.447%0.47143%0.433SS..Hα-helixtrans-65-42.6179.300000112.4S398 S399 Q405 S406S398-A402 WeakPolarHBondContact O-CB 3.47Å; S398-A402 PolarHBondContact O-N 3.44Å; S399-A402 PolarHBondContact O-N 3.39Å; A402-Q405 PolarHBondContact O-N 2.89Å; A402-S406 PolarHBondContact O-N 3.28Å
403L51.1Low47.8Very low65 Ų6572.7 Ų72.734%0.3442%0.423SS..Hα-helixtrans-65.1-42.1179.3-154.6164.7000111.3V379 S399 S406 L407V379-L403 HydrophobicContact CG1-CD1 4.48Å; S399-L403 PolarHBondContact O-N 2.78Å; S399-L403 VanDerWaalsContact O-N 3.16Å; L403-S406 PolarHBondContact O-N 3.32Å; L403-S406 PolarHBondContact O-OG 3.4Å; L403-L407 PolarHBondContact O-N 3.04Å
404A50.8Low48.7Very low21 Ų2169.3 Ų69.317%0.17440%0.4CS..Hα-helixtrans-73.3-28.6174.300000113.6W185 C400 G408W185-A404 HydrophobicContact CD2-CB 4.29Å; W185-A404 HydrophobicContact CE3-CB 4.36Å; W185-A404 HydrophobicContact CH2-CB 3.19Å; W185-A404 HydrophobicContact CZ2-CB 3.03Å; W185-A404 HydrophobicContact CZ3-CB 3.86Å; C400-A404 PolarHBondContact O-N 2.87Å; C400-A404 VanDerWaalsContact O-N 3.17Å; A404-G408 PolarHBondContact O-N 3.03Å
405Q55.9Low50Low111 Ų11168.7 Ų68.752%0.51940%0.397SS..Hα-helixtrans-68.3-35.2171.2-79.5-179.71400112.3L401 A402 K409L401-Q405 HydrophobicContact CD2-CG 4.49Å; L401-Q405 WeakPolarHBondContact O-CB 3.29Å; L401-Q405 VanDerWaalsContact O-CG 3.24Å; L401-Q405 WeakPolarHBondContact O-CG 3.39Å; L401-Q405 PolarHBondContact O-N 3.4Å; A402-Q405 PolarHBondContact O-N 2.89Å; Q405-K409 WeakPolarHBondContact O-CB 3.45Å; Q405-K409 VanDerWaalsContact O-CG 3.28Å; Q405-K409 WeakPolarHBondContact O-CG 3.4Å; Q405-K409 PolarHBondContact O-N 2.87Å; Q405-K409 VanDerWaalsContact O-N 3.08Å
406S51.3Low51.1Low54 Ų5469.9 Ų69.938%0.37840%0.4SS..Hα-helixtrans-69.8-44.1172.669.50000111.1A402 L403 G408 K409 A410A402-S406 PolarHBondContact O-N 3.28Å; L403-S406 PolarHBondContact O-N 3.32Å; L403-S406 PolarHBondContact O-OG 3.4Å; S406-G408 PolarHBondContact O-N 2.91Å; S406-K409 PolarHBondContact O-N 3.5Å; S406-A410 WeakPolarHBondContact O-CB 3.3Å; S406-A410 PolarHBondContact O-N 3.27Å
407L50.9Low51.6Low46 Ų4668.4 Ų68.424%0.24139%0.391CS..Hα-helixtrans-59.3-44.6175-163.675.4000112I253 L376 L403 A410 V411I253-L407 HydrophobicContact CD1-CD1 3.77Å; L376-L407 HydrophobicContact CD1-CD1 4.14Å; L376-L407 HydrophobicContact CD2-CD1 4.02Å; L403-L407 PolarHBondContact O-N 3.04Å; L407-A410 PolarHBondContact O-N 3.32Å; L407-V411 WeakPolarHBondContact O-CG2 3.5Å; L407-V411 PolarHBondContact O-N 3.33Å
408G53.1Low52Low27 Ų2770.3 Ų70.328%0.27840%0.397SS..Hα-helixtrans-62.4-42.5176.300000113A404 S406 V411 V412A404-G408 PolarHBondContact O-N 3.03Å; S406-G408 PolarHBondContact O-N 2.91Å; G408-V411 PolarHBondContact O-N 3.4Å; G408-V412 WeakPolarHBondContact O-CG2 3.37Å; G408-V412 PolarHBondContact O-N 3.24Å
409K57.1Low53Low141 Ų14173 Ų7361%0.61340%0.4SS*.Hα-helixtrans-62.5-44173.5-76.4173-179.5179.10111.9Q405 S406 V412 Q413Q405-K409 WeakPolarHBondContact O-CB 3.45Å; Q405-K409 VanDerWaalsContact O-CG 3.28Å; Q405-K409 WeakPolarHBondContact O-CG 3.4Å; Q405-K409 PolarHBondContact O-N 2.87Å; Q405-K409 VanDerWaalsContact O-N 3.08Å; S406-K409 PolarHBondContact O-N 3.5Å; K409-V412 PolarHBondContact O-N 2.87Å; K409-Q413 PolarHBondContact O-N 3.49Å
410A49.5Very low53.7Low13 Ų1374.2 Ų74.211%0.10740%0.402CS..Hα-helixtrans-59.6-47.4177.500000111.9V372 L376 S406 L407 V412 Q413 L414V372-A410 HydrophobicContact CG1-CB 3.46Å; V372-A410 VanDerWaalsContact CG1-CB 3.46Å; L376-A410 HydrophobicContact CD1-CB 3.92Å; S406-A410 WeakPolarHBondContact O-CB 3.3Å; S406-A410 PolarHBondContact O-N 3.27Å; L407-A410 PolarHBondContact O-N 3.32Å; A410-V412 VanDerWaalsContact C-N 3.33Å; A410-V412 PolarHBondContact O-N 2.88Å; A410-Q413 PolarHBondContact O-N 2.86Å; A410-L414 VanDerWaalsContact O-CB 3.31Å; A410-L414 WeakPolarHBondContact O-CB 3.37Å; A410-L414 PolarHBondContact O-N 3.5Å
411V51.8Low54Low78 Ų7875.6 Ų75.647%0.47341%0.406SS..Hα-helixtrans-63.4-37.3177.2173.10000112L407 G408 K415L407-V411 WeakPolarHBondContact O-CG2 3.5Å; L407-V411 PolarHBondContact O-N 3.33Å; G408-V411 PolarHBondContact O-N 3.4Å; V411-K415 PolarHBondContact O-N 3.48Å
412V58Low54.2Low100 Ų10077.4 Ų77.461%0.60641%0.413SS*.Hα-helixtrans-68.2-44.8176.2169.50000111.7G408 K409 A410 K415 L416G408-V412 WeakPolarHBondContact O-CG2 3.37Å; G408-V412 PolarHBondContact O-N 3.24Å; K409-V412 PolarHBondContact O-N 2.87Å; A410-V412 VanDerWaalsContact C-N 3.33Å; A410-V412 PolarHBondContact O-N 2.88Å; V412-K415 PolarHBondContact O-N 2.88Å; V412-L416 WeakPolarHBondContact O-CB 3.19Å; V412-L416 PolarHBondContact O-N 2.87Å
413Q51.8Low54.8Low119 Ų11979.1 Ų79.156%0.55641%0.411SS*.Hα-helixtrans-63.9-41.8176-77-173.6-44.200112K409 A410 K415 L416 A417K409-Q413 PolarHBondContact O-N 3.49Å; A410-Q413 PolarHBondContact O-N 2.86Å; Q413-K415 PolarHBondContact O-N 2.84Å; Q413-L416 PolarHBondContact O-N 3.34Å; Q413-L416 VanDerWaalsContact O-N 3.12Å; Q413-A417 WeakPolarHBondContact O-CB 3.35Å; Q413-A417 PolarHBondContact O-N 2.89Å
414L50.2Low55Low63 Ų6379 Ų7933%0.3342%0.416SS..Hα-helixtrans-60.2-44.3176.8-162165.2000111L369 A410 Q418L369-L414 HydrophobicContact CD1-CD1 3.64Å; L369-L414 HydrophobicContact CD1-CG 4.01Å; A410-L414 VanDerWaalsContact O-CB 3.31Å; A410-L414 WeakPolarHBondContact O-CB 3.37Å; A410-L414 PolarHBondContact O-N 3.5Å; L414-Q418 WeakPolarHBondContact O-CB 3.47Å; L414-Q418 PolarHBondContact O-N 3.45Å
415K58.4Low55.1Low134 Ų13481.1 Ų81.158%0.58342%0.424SS*.Hα-helixtrans-64.9-35.7173.2-78.8-167.7173.4-169.10113.6V411 V412 Q413 K419V411-K415 PolarHBondContact O-N 3.48Å; V412-K415 PolarHBondContact O-N 2.88Å; Q413-K415 PolarHBondContact O-N 2.84Å; K415-K419 WeakPolarHBondContact O-CB 3.36Å; K415-K419 PolarHBondContact O-N 3.09Å
416L59.8Low55.5Low107 Ų10779 Ų7956%0.5642%0.421SS*.Hα-helixtrans-68-46177.7-160.977.8000111V412 Q413 K419 N420V412-L416 WeakPolarHBondContact O-CB 3.19Å; V412-L416 PolarHBondContact O-N 2.87Å; Q413-L416 PolarHBondContact O-N 3.34Å; Q413-L416 VanDerWaalsContact O-N 3.12Å; L416-K419 PolarHBondContact O-N 2.89Å; L416-N420 WeakPolarHBondContact O-CB 3.32Å; L416-N420 PolarHBondContact O-N 3.33Å; L416-N420 PolarHBondContact O-OD1 3.19Å
417A50.3Low55.9Low29 Ų2981.3 Ų81.324%0.2443%0.426CS..Hα-helixtrans-62.2-42.5175.600000111.9Q413 N420 L421Q413-A417 WeakPolarHBondContact O-CB 3.35Å; Q413-A417 PolarHBondContact O-N 2.89Å; A417-N420 PolarHBondContact O-N 3.19Å; A417-L421 WeakPolarHBondContact O-CB 3.34Å; A417-L421 PolarHBondContact O-N 2.81Å
418Q53.7Low56Low81 Ų8180.7 Ų80.738%0.37943%0.427SS..Hα-helixtrans-58.7-50.6173.1178.6178.6-1300111.4L414 N420 L421 E422L414-Q418 WeakPolarHBondContact O-CB 3.47Å; L414-Q418 PolarHBondContact O-N 3.45Å; Q418-N420 VanDerWaalsContact C-N 3.34Å; Q418-N420 PolarHBondContact O-N 3.03Å; Q418-L421 PolarHBondContact O-N 3.4Å; Q418-E422 HydrophobicContact CG-CG 4.41Å; Q418-E422 VanDerWaalsContact CG-OE1 3.29Å; Q418-E422 WeakPolarHBondContact CG-OE1 3.39Å; Q418-E422 PolarHBondContact NE2-OE1 2.98Å; Q418-E422 WeakPolarHBondContact O-CG 3.28Å; Q418-E422 PolarHBondContact O-N 3.02Å
419K65.1Low56.1Low129 Ų12984.2 Ų84.256%0.56144%0.439SS*.Hα-helixtrans-62.7-40.3-179.4-174-177.7175-171.10112.1K415 L416 L421 E422 Q423K415-K419 WeakPolarHBondContact O-CB 3.36Å; K415-K419 PolarHBondContact O-N 3.09Å; L416-K419 PolarHBondContact O-N 2.89Å; K419-L421 VanDerWaalsContact C-N 3.34Å; K419-E422 PolarHBondContact O-N 2.8Å; K419-Q423 WeakPolarHBondContact O-CB 3.5Å; K419-Q423 PolarHBondContact O-N 3.25Å
420N57.6Low56.5Low82 Ų8282.3 Ų82.344%0.43944%0.435SS..Hα-helixtrans-63.2-42.3176.6-69.4-2.8000111L416 A417 Q418 Q423 S424L416-N420 WeakPolarHBondContact O-CB 3.32Å; L416-N420 PolarHBondContact O-N 3.33Å; L416-N420 PolarHBondContact O-OD1 3.19Å; A417-N420 PolarHBondContact O-N 3.19Å; Q418-N420 VanDerWaalsContact C-N 3.34Å; Q418-N420 PolarHBondContact O-N 3.03Å; N420-Q423 PolarHBondContact O-N 2.73Å; N420-S424 PolarHBondContact O-N 3.4Å; N420-S424 PolarHBondContact O-OG 2.93Å
421L54.5Low56.9Low71 Ų7183.5 Ų83.537%0.37244%0.443SS..Hα-helixtrans-63.6-44.8175.4-176.468.8000112I362 A417 Q418 K419 Q423 S424 L425I362-L421 HydrophobicContact CD1-CD1 4.31Å; I362-L421 HydrophobicContact CG1-CD1 3.59Å; A417-L421 WeakPolarHBondContact O-CB 3.34Å; A417-L421 PolarHBondContact O-N 2.81Å; Q418-L421 PolarHBondContact O-N 3.4Å; K419-L421 VanDerWaalsContact C-N 3.34Å; L421-Q423 VanDerWaalsContact C-N 3.33Å; L421-Q423 PolarHBondContact O-N 3.32Å; L421-S424 PolarHBondContact O-N 3.31Å; L421-L425 VanDerWaalsContact O-CB 3.23Å; L421-L425 WeakPolarHBondContact O-CB 3.43Å; L421-L425 PolarHBondContact O-N 3.19Å
422E56.9Low57.1Low97 Ų9781.6 Ų81.645%0.45343%0.43SS..Hα-helixtrans-60.9-40.9175.6-73.7168.1178.600111.7Q418 K419 S426Q418-E422 HydrophobicContact CG-CG 4.41Å; Q418-E422 VanDerWaalsContact CG-OE1 3.29Å; Q418-E422 WeakPolarHBondContact CG-OE1 3.39Å; Q418-E422 PolarHBondContact NE2-OE1 2.98Å; Q418-E422 WeakPolarHBondContact O-CG 3.28Å; Q418-E422 PolarHBondContact O-N 3.02Å; K419-E422 PolarHBondContact O-N 2.8Å; E422-S426 VanDerWaalsContact O-CB 3.3Å; E422-S426 WeakPolarHBondContact O-CB 3.35Å; E422-S426 PolarHBondContact O-N 3.46Å; E422-S426 PolarHBondContact O-OG 3.5Å
423Q63.2Low57.3Low94 Ų9480 Ų8044%0.43942%0.423SS..Hα-helixtrans-67-51.3176.5-179.5170.5-19.300111.8K419 N420 L421 L425 S426 E427K419-Q423 WeakPolarHBondContact O-CB 3.5Å; K419-Q423 PolarHBondContact O-N 3.25Å; N420-Q423 PolarHBondContact O-N 2.73Å; L421-Q423 VanDerWaalsContact C-N 3.33Å; L421-Q423 PolarHBondContact O-N 3.32Å; Q423-L425 VanDerWaalsContact C-N 3.3Å; Q423-L425 PolarHBondContact O-N 3.03Å; Q423-S426 WeakPolarHBondContact O-CA 3.38Å; Q423-S426 WeakPolarHBondContact O-CB 3.31Å; Q423-S426 PolarHBondContact O-N 3.16Å; Q423-E427 HydrophobicContact CG-CG 4.38Å; Q423-E427 VanDerWaalsContact CG-OE1 3.24Å; Q423-E427 WeakPolarHBondContact CG-OE1 3.31Å; Q423-E427 PolarHBondContact NE2-OE1 3.31Å; Q423-E427 WeakPolarHBondContact O-CG 3.45Å; Q423-E427 PolarHBondContact O-N 3.03Å
424S54.4Low57.9Low62 Ų6280 Ų8043%0.43442%0.423SS..Hα-helixtrans-64.6-32.8178.8-62.60000112.9N420 L421 A428N420-S424 PolarHBondContact O-N 3.4Å; N420-S424 PolarHBondContact O-OG 2.93Å; L421-S424 PolarHBondContact O-N 3.31Å; S424-A428 VanDerWaalsContact O-CB 3.24Å; S424-A428 WeakPolarHBondContact O-CB 3.34Å; S424-A428 PolarHBondContact O-N 2.84Å
425L54.3Low58.1Low66 Ų6679.4 Ų79.435%0.34643%0.427SS..Hα-helixtrans-66.3-42.1170.9-168.379.3000111.1L421 Q423 A428 L429L421-L425 VanDerWaalsContact O-CB 3.23Å; L421-L425 WeakPolarHBondContact O-CB 3.43Å; L421-L425 PolarHBondContact O-N 3.19Å; Q423-L425 VanDerWaalsContact C-N 3.3Å; Q423-L425 PolarHBondContact O-N 3.03Å; L425-A428 PolarHBondContact O-N 3.48Å; L425-L429 HydrophobicContact CD2-CD1 4.45Å; L425-L429 HydrophobicContact CG-CD1 4.13Å; L425-L429 WeakPolarHBondContact O-CB 3.48Å; L425-L429 VanDerWaalsContact O-CG 3.26Å; L425-L429 WeakPolarHBondContact O-CG 3.4Å; L425-L429 PolarHBondContact O-N 2.81Å
426S62.8Low58.2Low65 Ų6575.9 Ų75.946%0.45542%0.417SS..Hα-helixtrans-64.4-46.1177.9-60.20000111.8E422 Q423 L429 L430E422-S426 VanDerWaalsContact O-CB 3.3Å; E422-S426 WeakPolarHBondContact O-CB 3.35Å; E422-S426 PolarHBondContact O-N 3.46Å; E422-S426 PolarHBondContact O-OG 3.5Å; Q423-S426 WeakPolarHBondContact O-CA 3.38Å; Q423-S426 WeakPolarHBondContact O-CB 3.31Å; Q423-S426 PolarHBondContact O-N 3.16Å; S426-L429 PolarHBondContact O-N 2.66Å; S426-L430 WeakPolarHBondContact O-CB 3.38Å; S426-L430 PolarHBondContact O-N 3.1Å
427E60.5Low58.4Low104 Ų10473.4 Ų73.449%0.48641%0.408SS..Hα-helixtrans-62.8-40.3176.1-71.2168.6-176.700111.9Q423 L430 S431Q423-E427 HydrophobicContact CG-CG 4.38Å; Q423-E427 VanDerWaalsContact CG-OE1 3.24Å; Q423-E427 WeakPolarHBondContact CG-OE1 3.31Å; Q423-E427 PolarHBondContact NE2-OE1 3.31Å; Q423-E427 WeakPolarHBondContact O-CG 3.45Å; Q423-E427 PolarHBondContact O-N 3.03Å; E427-L430 PolarHBondContact O-N 3.38Å; E427-S431 VanDerWaalsContact O-CB 3.31Å; E427-S431 WeakPolarHBondContact O-CB 3.49Å; E427-S431 PolarHBondContact O-N 2.88Å
428A52.4Low58.7Low32 Ų3275.6 Ų75.626%0.26442%0.421SS..Hα-helixtrans-65.2-41.1174.100000112.4L358 S424 L425 L432L358-A428 HydrophobicContact CD1-CB 3.92Å; S424-A428 VanDerWaalsContact O-CB 3.24Å; S424-A428 WeakPolarHBondContact O-CB 3.34Å; S424-A428 PolarHBondContact O-N 2.84Å; L425-A428 PolarHBondContact O-N 3.48Å; A428-L432 VanDerWaalsContact O-CB 3.24Å; A428-L432 WeakPolarHBondContact O-CB 3.27Å; A428-L432 PolarHBondContact O-N 3.11Å
429L56Low58.9Low102 Ų10276.3 Ų76.353%0.53442%0.424SS..Hα-helixtrans-68.9-36.4175.6-74169.4000112.3L425 S426 L432 S433L425-L429 HydrophobicContact CD2-CD1 4.45Å; L425-L429 HydrophobicContact CG-CD1 4.13Å; L425-L429 WeakPolarHBondContact O-CB 3.48Å; L425-L429 VanDerWaalsContact O-CG 3.26Å; L425-L429 WeakPolarHBondContact O-CG 3.4Å; L425-L429 PolarHBondContact O-N 2.81Å; S426-L429 PolarHBondContact O-N 2.66Å; L429-L432 PolarHBondContact O-N 3.45Å; L429-S433 WeakPolarHBondContact O-CB 3.29Å; L429-S433 PolarHBondContact O-N 2.83Å; L429-S433 PolarHBondContact O-OG 3.38Å
430L64.4Low58.8Low101 Ų10175.8 Ų75.853%0.52942%0.424SS..Hα-helixtrans-63.9-53.4174.3-123.9141.9000110S426 E427 L432 S433 E434S426-L430 WeakPolarHBondContact O-CB 3.38Å; S426-L430 PolarHBondContact O-N 3.1Å; E427-L430 PolarHBondContact O-N 3.38Å; L430-L432 VanDerWaalsContact C-N 3.26Å; L430-L432 PolarHBondContact O-N 2.93Å; L430-S433 PolarHBondContact O-N 2.82Å; L430-S433 PolarHBondContact O-OG 2.75Å; L430-E434 WeakPolarHBondContact O-CG 3.29Å; L430-E434 PolarHBondContact O-N 2.8Å
431S59.3Low59.2Low37 Ų3778.3 Ų78.326%0.25943%0.433SS..Hα-helixtrans-59-34.8176.7-176.20000112.8K354 E427 A435K354-S431 PolarHBondContact NZ-OG 2.74Å; E427-S431 VanDerWaalsContact O-CB 3.31Å; E427-S431 WeakPolarHBondContact O-CB 3.49Å; E427-S431 PolarHBondContact O-N 2.88Å; S431-A435 WeakPolarHBondContact O-CB 3.49Å; S431-A435 PolarHBondContact O-N 3.47Å
432L56.6Low59.5Low39 Ų3978.1 Ų78.120%0.20444%0.437CS..Hα-helixtrans-70-39.5172.9-175.766.3000112.2L351 A428 L429 L430 T436L351-L432 HydrophobicContact CD2-CD1 3.75Å; A428-L432 VanDerWaalsContact O-CB 3.24Å; A428-L432 WeakPolarHBondContact O-CB 3.27Å; A428-L432 PolarHBondContact O-N 3.11Å; L429-L432 PolarHBondContact O-N 3.45Å; L430-L432 VanDerWaalsContact C-N 3.26Å; L430-L432 PolarHBondContact O-N 2.93Å; L432-T436 WeakPolarHBondContact O-CB 3.42Å; L432-T436 PolarHBondContact O-N 3.38Å; L432-T436 PolarHBondContact O-OG1 3.41Å
433S61.4Low59.7Low66 Ų6677 Ų7746%0.46244%0.437SS..Hα-helixtrans-71.1-36.9178.474.10000112.1L429 L430 T436 S437L429-S433 WeakPolarHBondContact O-CB 3.29Å; L429-S433 PolarHBondContact O-N 2.83Å; L429-S433 PolarHBondContact O-OG 3.38Å; L430-S433 PolarHBondContact O-N 2.82Å; L430-S433 PolarHBondContact O-OG 2.75Å; S433-T436 PolarHBondContact O-N 3.05Å; S433-S437 WeakPolarHBondContact O-CB 3.35Å; S433-S437 PolarHBondContact O-N 3.09Å
434E63.9Low59.6Low119 Ų11976.6 Ų76.656%0.55644%0.441SS*.Hα-helixtrans-62.4-48.4170.8-71.3172.8162.600111.5L430 T436 S437 C438L430-E434 WeakPolarHBondContact O-CG 3.29Å; L430-E434 PolarHBondContact O-N 2.8Å; E434-T436 VanDerWaalsContact C-N 3.34Å; E434-T436 PolarHBondContact O-N 3.43Å; E434-S437 PolarHBondContact O-N 2.93Å; E434-C438 WeakPolarHBondContact O-CB 3.49Å; E434-C438 PolarHBondContact O-N 3.43Å
435A54.4Low60.1Low50 Ų5082.3 Ų82.341%0.41345%0.453SS..Hα-helixtrans-61.4-41.1175.600000112.2S431 H439S431-A435 WeakPolarHBondContact O-CB 3.49Å; S431-A435 PolarHBondContact O-N 3.47Å; A435-H439 WeakPolarHBondContact O-CB 3.47Å; A435-H439 PolarHBondContact O-N 2.83Å
436T59.8Low60.5Low61 Ų6182.9 Ų82.937%0.37446%0.461SS..Hα-helixtrans-68.2-41.2177.8-53.80000111.6L432 S433 E434 H439 Q440L432-T436 WeakPolarHBondContact O-CB 3.42Å; L432-T436 PolarHBondContact O-N 3.38Å; L432-T436 PolarHBondContact O-OG1 3.41Å; S433-T436 PolarHBondContact O-N 3.05Å; E434-T436 VanDerWaalsContact C-N 3.34Å; E434-T436 PolarHBondContact O-N 3.43Å; T436-H439 PolarHBondContact O-N 2.91Å; T436-Q440 WeakPolarHBondContact O-CB 3.31Å; T436-Q440 VanDerWaalsContact O-CG 3.32Å; T436-Q440 WeakPolarHBondContact O-CG 3.49Å; T436-Q440 PolarHBondContact O-N 2.92Å
437S64.2Low60.5Low54 Ų5482.6 Ų82.638%0.37846%0.463SS..Hα-helixtrans-67.3-41.3176.7-175.40000111.5S433 E434 Q440 Q441S433-S437 WeakPolarHBondContact O-CB 3.35Å; S433-S437 PolarHBondContact O-N 3.09Å; E434-S437 PolarHBondContact O-N 2.93Å; S437-Q440 PolarHBondContact O-N 3Å; S437-Q441 WeakPolarHBondContact O-CB 3.35Å; S437-Q441 WeakPolarHBondContact O-CG 3.25Å; S437-Q441 PolarHBondContact O-N 2.84Å
438C57.4Low60.9Low76 Ų7681.9 Ų81.951%0.51446%0.462SS..Hα-helixtrans-62.6-47.3173.6-175.40000111.3E434 Q441 C442E434-C438 WeakPolarHBondContact O-CB 3.49Å; E434-C438 PolarHBondContact O-N 3.43Å; C438-Q441 PolarHBondContact O-N 3.33Å; C438-C442 WeakPolarHBondContact O-CB 3.47Å; C438-C442 PolarHBondContact O-N 3.44Å; C438-C442 PolarHBondContact O-SG 3.19Å
439H58.8Low61.6Low95 Ų9585.2 Ų85.244%0.4447%0.474SS..Hα-helixtrans-58.9-49.3174.2-178.798.2000111E344 A435 T436 Q441 C442 T443E344-H439 IonicContact OE1-CE1 2.61Å; A435-H439 WeakPolarHBondContact O-CB 3.47Å; A435-H439 PolarHBondContact O-N 2.83Å; T436-H439 PolarHBondContact O-N 2.91Å; H439-Q441 PolarHBondContact O-N 3.48Å; H439-C442 CarbonylContact O-C 3.57Å; H439-C442 WeakPolarHBondContact O-CA 3.4Å; H439-C442 WeakPolarHBondContact O-CB 3.35Å; H439-C442 PolarHBondContact O-N 3.08Å; H439-T443 PolarHBondContact CD2-OG1 3.07Å; H439-T443 PolarHBondContact NE2-OG1 3.25Å; H439-T443 PolarHBondContact O-N 3.41Å; H439-T443 PolarHBondContact O-OG1 3.4Å
440Q61.9Low62.3Low118 Ų11886.8 Ų86.855%0.55148%0.479SS*.Hα-helixtrans-59.9-41.1177.3-76.1177.9-3.600112.9T436 S437 C442 T443 V444T436-Q440 WeakPolarHBondContact O-CB 3.31Å; T436-Q440 VanDerWaalsContact O-CG 3.32Å; T436-Q440 WeakPolarHBondContact O-CG 3.49Å; T436-Q440 PolarHBondContact O-N 2.92Å; S437-Q440 PolarHBondContact O-N 3Å; Q440-C442 VanDerWaalsContact C-N 3.33Å; Q440-T443 PolarHBondContact O-N 3.2Å; Q440-V444 WeakPolarHBondContact O-CB 3.38Å; Q440-V444 VanDerWaalsContact O-CG2 3.3Å; Q440-V444 WeakPolarHBondContact O-CG2 3.5Å; Q440-V444 PolarHBondContact O-N 3.22Å
441Q65.5Low62.6Low135 Ų13588.5 Ų88.563%0.63148%0.484SS*.Hα-helixtrans-62.9-40.1172.9-76.6-172.715.900111.5S437 C438 H439 R445S437-Q441 WeakPolarHBondContact O-CB 3.35Å; S437-Q441 WeakPolarHBondContact O-CG 3.25Å; S437-Q441 PolarHBondContact O-N 2.84Å; C438-Q441 PolarHBondContact O-N 3.33Å; H439-Q441 PolarHBondContact O-N 3.48Å; Q441-R445 WeakPolarHBondContact O-CB 3.22Å; Q441-R445 PolarHBondContact O-N 2.78Å
442C61.4Low63Low67 Ų6791.1 Ų91.145%0.45350%0.496SS..Hα-helixtrans-65.1-44.9173.3-75.90000112.1C438 H439 Q440 V444 R445 C446C438-C442 WeakPolarHBondContact O-CB 3.47Å; C438-C442 PolarHBondContact O-N 3.44Å; C438-C442 PolarHBondContact O-SG 3.19Å; H439-C442 CarbonylContact O-C 3.57Å; H439-C442 WeakPolarHBondContact O-CA 3.4Å; H439-C442 WeakPolarHBondContact O-CB 3.35Å; H439-C442 PolarHBondContact O-N 3.08Å; Q440-C442 VanDerWaalsContact C-N 3.33Å; C442-V444 VanDerWaalsContact C-N 3.34Å; C442-V444 PolarHBondContact O-N 2.68Å; C442-R445 CarbonylContact O-C 3.34Å; C442-R445 PolarHBondContact O-N 3.24Å; C442-R445 VanDerWaalsContact O-N 3.15Å; C442-C446 WeakPolarHBondContact O-CB 3.5Å; C442-C446 PolarHBondContact O-N 2.84Å; C442-C446 PolarHBondContact O-SG 3.34Å; C442-C446 VanDerWaalsContact O-SG 3.34Å
443T60.5Low63.7Low73 Ų7396 Ų9645%0.44852%0.515SS..Hα-helixtrans-59.6-44.7175.5-38.10000110.9H439 Q440 C446 A447H439-T443 PolarHBondContact CD2-OG1 3.07Å; H439-T443 PolarHBondContact NE2-OG1 3.25Å; H439-T443 PolarHBondContact O-N 3.41Å; H439-T443 PolarHBondContact O-OG1 3.4Å; Q440-T443 PolarHBondContact O-N 3.2Å; T443-C446 PolarHBondContact O-N 3.19Å; T443-A447 WeakPolarHBondContact O-CB 3.5Å; T443-A447 PolarHBondContact O-N 3.31Å
444V62.2Low64.1Low87 Ų8795.6 Ų95.653%0.52752%0.516SS..Hα-helixtrans-65.8-38.1175.7170.50000111.2Q440 C442 A447 L448Q440-V444 WeakPolarHBondContact O-CB 3.38Å; Q440-V444 VanDerWaalsContact O-CG2 3.3Å; Q440-V444 WeakPolarHBondContact O-CG2 3.5Å; Q440-V444 PolarHBondContact O-N 3.22Å; C442-V444 VanDerWaalsContact C-N 3.34Å; C442-V444 PolarHBondContact O-N 2.68Å; V444-A447 PolarHBondContact O-N 3.39Å; V444-L448 HydrophobicContact CG1-CD1 3.91Å; V444-L448 HydrophobicContact CG1-CG 4.4Å; V444-L448 VanDerWaalsContact O-CB 3.29Å; V444-L448 WeakPolarHBondContact O-CB 3.28Å; V444-L448 VanDerWaalsContact O-CG 3.26Å; V444-L448 WeakPolarHBondContact O-CG 3.48Å; V444-L448 PolarHBondContact O-N 3.11Å
445R64.7Low64.4Low182 Ų18295.2 Ų95.269%0.68751%0.513SS*.Hα-helixtrans-66.6-41173.7-117.9176.2168.9172.1-4.3112.4Q441 C442 L448 I449Q441-R445 WeakPolarHBondContact O-CB 3.22Å; Q441-R445 PolarHBondContact O-N 2.78Å; C442-R445 CarbonylContact O-C 3.34Å; C442-R445 PolarHBondContact O-N 3.24Å; C442-R445 VanDerWaalsContact O-N 3.15Å; R445-L448 PolarHBondContact O-N 2.86Å; R445-I449 VanDerWaalsContact O-CB 3.26Å; R445-I449 WeakPolarHBondContact O-CB 3.37Å; R445-I449 WeakPolarHBondContact O-CD1 3.49Å; R445-I449 WeakPolarHBondContact O-CG1 3.44Å; R445-I449 PolarHBondContact O-N 3.35Å
446C61.8Low65Low77 Ų7798.2 Ų98.252%0.5252%0.521SS..Hα-helixtrans-65.9-43.2175.8-71.80000110.9C442 T443 I449 E450C442-C446 WeakPolarHBondContact O-CB 3.5Å; C442-C446 PolarHBondContact O-N 2.84Å; C442-C446 PolarHBondContact O-SG 3.34Å; C442-C446 VanDerWaalsContact O-SG 3.34Å; T443-C446 PolarHBondContact O-N 3.19Å; C446-I449 PolarHBondContact O-N 3.3Å; C446-E450 WeakPolarHBondContact O-CB 3.36Å; C446-E450 WeakPolarHBondContact O-CG 3.48Å; C446-E450 PolarHBondContact O-N 2.96Å
447A64.1Low65.5Low60 Ų60102.8 Ų102.850%0.49654%0.536SS..Hα-helixtrans-62.2-44.1173.400000112T443 V444 E450 E451T443-A447 WeakPolarHBondContact O-CB 3.5Å; T443-A447 PolarHBondContact O-N 3.31Å; V444-A447 PolarHBondContact O-N 3.39Å; A447-E450 PolarHBondContact O-N 2.74Å; A447-E451 VanDerWaalsContact O-CB 3.28Å; A447-E451 WeakPolarHBondContact O-CB 3.38Å; A447-E451 PolarHBondContact O-N 2.72Å
448L67.6Low65.5Low89 Ų89107 Ų10747%0.46655%0.547SS..Hα-helixtrans-66-34.1173.9-76169.9000112.5V444 R445 D452V444-L448 HydrophobicContact CG1-CD1 3.91Å; V444-L448 HydrophobicContact CG1-CG 4.4Å; V444-L448 VanDerWaalsContact O-CB 3.29Å; V444-L448 WeakPolarHBondContact O-CB 3.28Å; V444-L448 VanDerWaalsContact O-CG 3.26Å; V444-L448 WeakPolarHBondContact O-CG 3.48Å; V444-L448 PolarHBondContact O-N 3.11Å; R445-L448 PolarHBondContact O-N 2.86Å; L448-D452 WeakPolarHBondContact O-CA 3.1Å; L448-D452 WeakPolarHBondContact O-CB 3.46Å; L448-D452 PolarHBondContact O-N 3.49Å
449I68.2Low65.8Low102 Ų102105.5 Ų105.552%0.52353%0.533SS..Hα-helixtrans-74.4-34.8175.7-73.4164000111R445 C446 K453R445-I449 VanDerWaalsContact O-CB 3.26Å; R445-I449 WeakPolarHBondContact O-CB 3.37Å; R445-I449 WeakPolarHBondContact O-CD1 3.49Å; R445-I449 WeakPolarHBondContact O-CG1 3.44Å; R445-I449 PolarHBondContact O-N 3.35Å; C446-I449 PolarHBondContact O-N 3.3Å; I449-K453 WeakPolarHBondContact O-CB 3.49Å; I449-K453 PolarHBondContact O-N 3.42Å
450E70.4Confident65.6Low134 Ų134106.4 Ų106.463%0.62654%0.54SS*.Hα-helixtrans-70.6-39.3171.6-72.3-120.1118.200111.4C446 A447 K453 A454C446-E450 WeakPolarHBondContact O-CB 3.36Å; C446-E450 WeakPolarHBondContact O-CG 3.48Å; C446-E450 PolarHBondContact O-N 2.96Å; A447-E450 PolarHBondContact O-N 2.74Å; E450-K453 PolarHBondContact O-N 3.21Å; E450-A454 WeakPolarHBondContact O-CB 3.43Å; E450-A454 PolarHBondContact O-N 3.15Å
451E69.8Low65.2Low137 Ų137104.9 Ų104.964%0.6454%0.539SS*.Hα-helixtrans-69-41.4174-170.5164.8-138.600111.1A447 K453 A454 F455A447-E451 VanDerWaalsContact O-CB 3.28Å; A447-E451 WeakPolarHBondContact O-CB 3.38Å; A447-E451 PolarHBondContact O-N 2.72Å; E451-K453 VanDerWaalsContact C-N 3.33Å; E451-K453 PolarHBondContact O-N 3.45Å; E451-A454 PolarHBondContact O-N 3.22Å; E451-F455 WeakPolarHBondContact O-CA 3.4Å; E451-F455 WeakPolarHBondContact O-CB 3.48Å; E451-F455 PolarHBondContact O-N 2.88Å
452D68.7Low64.6Low93 Ų93102.8 Ų102.850%0.49753%0.528SS..Hα-helixtrans-66.2-31.7170.8-90.7-22.7000111.9L448 L456L448-D452 WeakPolarHBondContact O-CA 3.1Å; L448-D452 WeakPolarHBondContact O-CB 3.46Å; L448-D452 PolarHBondContact O-N 3.49Å; D452-L456 WeakPolarHBondContact O-CA 3.42Å; D452-L456 WeakPolarHBondContact O-CB 3.27Å; D452-L456 WeakPolarHBondContact O-CG 3.31Å; D452-L456 PolarHBondContact O-N 3.43Å
453K70.8Confident64Low140 Ų140103.3 Ų103.361%0.60953%0.529SS*.Hα-helixtrans-79.4-33.7176.9-175.5179.3-176.7-175.60111.4I449 E450 E451 K457I449-K453 WeakPolarHBondContact O-CB 3.49Å; I449-K453 PolarHBondContact O-N 3.42Å; E450-K453 PolarHBondContact O-N 3.21Å; E451-K453 VanDerWaalsContact C-N 3.33Å; E451-K453 PolarHBondContact O-N 3.45Å; K453-K457 WeakPolarHBondContact O-CB 3.39Å; K453-K457 PolarHBondContact O-N 2.92Å
454A69.5Low63.2Low58 Ų58108.5 Ų108.548%0.47954%0.541SS..Hα-helixtrans-69.9-40.716900000110.8E450 E451 K457 K458E450-A454 WeakPolarHBondContact O-CB 3.43Å; E450-A454 PolarHBondContact O-N 3.15Å; E451-A454 PolarHBondContact O-N 3.22Å; A454-K457 PolarHBondContact O-N 2.84Å; A454-K458 WeakPolarHBondContact O-CB 3.43Å; A454-K458 PolarHBondContact O-N 3.3Å
455F71.5Confident62.5Low112 Ų112108 Ų10849%0.49154%0.539SS..Hα-helixtrans-66-50.3173.6-176.9-102.3000110.3E451 K457 K458 E459E451-F455 WeakPolarHBondContact O-CA 3.4Å; E451-F455 WeakPolarHBondContact O-CB 3.48Å; E451-F455 PolarHBondContact O-N 2.88Å; F455-K457 VanDerWaalsContact C-N 3.3Å; F455-K457 PolarHBondContact O-N 2.72Å; F455-K458 CarbonylContact O-C 3.5Å; F455-K458 PolarHBondContact O-N 3.41Å; F455-K458 VanDerWaalsContact O-N 3.12Å; F455-E459 HydrophobicContact CD1-CG 3.93Å; F455-E459 HydrophobicContact CD2-CG 4.15Å; F455-E459 HydrophobicContact CE1-CG 3.57Å; F455-E459 HydrophobicContact CE2-CG 3.8Å; F455-E459 WeakPolarHBondContact CE2-OE1 3.27Å; F455-E459 HydrophobicContact CG-CG 4.2Å; F455-E459 HydrophobicContact CZ-CG 3.49Å; F455-E459 VanDerWaalsContact CZ-CG 3.49Å; F455-E459 WeakPolarHBondContact O-CA 3.36Å; F455-E459 VanDerWaalsContact O-CB 3.26Å; F455-E459 WeakPolarHBondContact O-CB 3.21Å; F455-E459 WeakPolarHBondContact O-CG 3.27Å; F455-E459 PolarHBondContact O-N 3.41Å
456L65.3Low61.3Low112 Ų112102.5 Ų102.559%0.58652%0.522SS*.Hα-helixtrans-60.9-34172.8-88.7157000112.3D452 L460D452-L456 WeakPolarHBondContact O-CA 3.42Å; D452-L456 WeakPolarHBondContact O-CB 3.27Å; D452-L456 WeakPolarHBondContact O-CG 3.31Å; D452-L456 PolarHBondContact O-N 3.43Å; L456-L460 WeakPolarHBondContact O-CA 3.09Å; L456-L460 VanDerWaalsContact O-CB 3.24Å; L456-L460 WeakPolarHBondContact O-CB 3.36Å; L456-L460 PolarHBondContact O-N 2.88Å
457K70.2Confident60.1Low158 Ų158107.5 Ų107.569%0.68754%0.536SS*.Hα-helixtrans-73-37.8173.8-169173.8-174.6179.10111.6K453 A454 F455 L460 T461K453-K457 WeakPolarHBondContact O-CB 3.39Å; K453-K457 PolarHBondContact O-N 2.92Å; A454-K457 PolarHBondContact O-N 2.84Å; F455-K457 VanDerWaalsContact C-N 3.3Å; F455-K457 PolarHBondContact O-N 2.72Å; K457-L460 PolarHBondContact O-N 2.84Å; K457-T461 WeakPolarHBondContact O-CB 3.31Å; K457-T461 PolarHBondContact O-N 3.24Å; K457-T461 PolarHBondContact O-OG1 2.83Å
458K65.9Low58.9Low141 Ų141112.8 Ų112.861%0.61355%0.548SS*.Hα-helixtrans-73-29175.8-166172.4-170.7174.40111.9A454 F455 K462A454-K458 WeakPolarHBondContact O-CB 3.43Å; A454-K458 PolarHBondContact O-N 3.3Å; F455-K458 CarbonylContact O-C 3.5Å; F455-K458 PolarHBondContact O-N 3.41Å; F455-K458 VanDerWaalsContact O-N 3.12Å; K458-K462 WeakPolarHBondContact O-CB 3.49Å; K458-K462 WeakPolarHBondContact O-CG 3.36Å; K458-K462 PolarHBondContact O-N 2.89Å
459E62.7Low57.6Low46 Ų46117.5 Ų117.522%0.21556%0.561CS.*Hα-helixtrans-85.7-28.1171.9-69.1-53.1149.600112.1F455 T461 K462 V463F455-E459 HydrophobicContact CD1-CG 3.93Å; F455-E459 HydrophobicContact CD2-CG 4.15Å; F455-E459 HydrophobicContact CE1-CG 3.57Å; F455-E459 HydrophobicContact CE2-CG 3.8Å; F455-E459 WeakPolarHBondContact CE2-OE1 3.27Å; F455-E459 HydrophobicContact CG-CG 4.2Å; F455-E459 HydrophobicContact CZ-CG 3.49Å; F455-E459 VanDerWaalsContact CZ-CG 3.49Å; F455-E459 WeakPolarHBondContact O-CA 3.36Å; F455-E459 VanDerWaalsContact O-CB 3.26Å; F455-E459 WeakPolarHBondContact O-CB 3.21Å; F455-E459 WeakPolarHBondContact O-CG 3.27Å; F455-E459 PolarHBondContact O-N 3.41Å; E459-T461 VanDerWaalsContact C-N 3.33Å; E459-K462 WeakPolarHBondContact OE1-CD 3.34Å; E459-K462 WeakPolarHBondContact OE1-CE 3.48Å; E459-K462 IonicContact OE1-NZ 2.68Å; E459-K462 PolarHBondContact OE1-NZ 3.49Å; E459-K462 WeakPolarHBondContact OE2-CD 3.48Å; E459-K462 IonicContact OE2-NZ 3.87Å; E459-V463 WeakPolarHBondContact O-CA 3.4Å; E459-V463 WeakPolarHBondContact O-CB 3.27Å; E459-V463 WeakPolarHBondContact O-CG2 3.48Å; E459-V463 PolarHBondContact O-N 3.08Å
460L54.1Low55.9Low113 Ų113117.5 Ų117.559%0.59256%0.561SS**Hα-helixtrans-68.7-39.4166.7-137.976.3000109.6L456 K457 V463 Y464L456-L460 WeakPolarHBondContact O-CA 3.09Å; L456-L460 VanDerWaalsContact O-CB 3.24Å; L456-L460 WeakPolarHBondContact O-CB 3.36Å; L456-L460 PolarHBondContact O-N 2.88Å; K457-L460 PolarHBondContact O-N 2.84Å; L460-V463 PolarHBondContact O-N 2.94Å; L460-Y464 WeakPolarHBondContact O-CB 3.21Å; L460-Y464 PolarHBondContact O-N 2.82Å
461T54.4Low54.3Low86 Ų86121.2 Ų121.253%0.52857%0.569SS.*Hα-helixtrans-67.5-48.2174.1-53.10000110.8K457 E459 V463 Y464 V465K457-T461 WeakPolarHBondContact O-CB 3.31Å; K457-T461 PolarHBondContact O-N 3.24Å; K457-T461 PolarHBondContact O-OG1 2.83Å; E459-T461 VanDerWaalsContact C-N 3.33Å; T461-V463 VanDerWaalsContact C-N 3.34Å; T461-V463 PolarHBondContact O-N 2.79Å; T461-Y464 PolarHBondContact O-N 2.87Å; T461-V465 WeakPolarHBondContact O-CG2 3.47Å; T461-V465 PolarHBondContact O-N 2.85Å
462K53.1Low52.5Low91 Ų91122 Ų12240%0.39657%0.573SS.*Hα-helixtrans-63.9-35.5173.7-80.4167.8168.5-170.90111.9K458 E459 V465 L466K458-K462 WeakPolarHBondContact O-CB 3.49Å; K458-K462 WeakPolarHBondContact O-CG 3.36Å; K458-K462 PolarHBondContact O-N 2.89Å; E459-K462 WeakPolarHBondContact OE1-CD 3.34Å; E459-K462 WeakPolarHBondContact OE1-CE 3.48Å; E459-K462 IonicContact OE1-NZ 2.68Å; E459-K462 PolarHBondContact OE1-NZ 3.49Å; E459-K462 WeakPolarHBondContact OE2-CD 3.48Å; E459-K462 IonicContact OE2-NZ 3.87Å; K462-V465 CarbonylContact O-C 3.54Å; K462-V465 WeakPolarHBondContact O-CA 3.37Å; K462-V465 PolarHBondContact O-N 3.06Å; K462-V465 VanDerWaalsContact O-N 3.14Å; K462-L466 HydrophobicContact CB-CD1 4.09Å; K462-L466 WeakPolarHBondContact O-CA 3.31Å; K462-L466 VanDerWaalsContact O-CB 3.26Å; K462-L466 WeakPolarHBondContact O-CB 3.16Å; K462-L466 WeakPolarHBondContact O-CD1 3.44Å; K462-L466 PolarHBondContact O-N 2.79Å
463V49.2Very low50.9Low78 Ų78122.4 Ų122.447%0.47358%0.581SS.*Hα-helixtrans-71.7-38.6176.2167.20000110.1E459 L460 T461 V465 L466 F467E459-V463 WeakPolarHBondContact O-CA 3.4Å; E459-V463 WeakPolarHBondContact O-CB 3.27Å; E459-V463 WeakPolarHBondContact O-CG2 3.48Å; E459-V463 PolarHBondContact O-N 3.08Å; L460-V463 PolarHBondContact O-N 2.94Å; T461-V463 VanDerWaalsContact C-N 3.34Å; T461-V463 PolarHBondContact O-N 2.79Å; V463-V465 PolarHBondContact O-N 3.24Å; V463-L466 PolarHBondContact O-N 3.22Å; V463-F467 WeakPolarHBondContact O-CB 3.4Å; V463-F467 PolarHBondContact O-N 3.43Å
464Y42Very low49.2Very low182 Ų182122.5 Ų122.571%0.71459%0.588SS**Hα-helixtrans-57.2-31.3167-107.3-97.6000112.6L460 T461L460-Y464 WeakPolarHBondContact O-CB 3.21Å; L460-Y464 PolarHBondContact O-N 2.82Å; T461-Y464 PolarHBondContact O-N 2.87Å
465V47.5Very low47.6Very low78 Ų78125.9 Ų125.947%0.47360%0.602SS.*Hα-helixtrans-86.6-34.4176.5172.20000112.9T461 K462 V463 F468 Y469T461-V465 WeakPolarHBondContact O-CG2 3.47Å; T461-V465 PolarHBondContact O-N 2.85Å; K462-V465 CarbonylContact O-C 3.54Å; K462-V465 WeakPolarHBondContact O-CA 3.37Å; K462-V465 PolarHBondContact O-N 3.06Å; K462-V465 VanDerWaalsContact O-N 3.14Å; V463-V465 PolarHBondContact O-N 3.24Å; V465-F468 CarbonylContact O-C 3.57Å; V465-F468 WeakPolarHBondContact O-CA 3.25Å; V465-F468 WeakPolarHBondContact O-CB 3.33Å; V465-F468 PolarHBondContact O-N 2.87Å; V465-F468 VanDerWaalsContact O-N 3.12Å; V465-Y469 WeakPolarHBondContact O-CB 3.43Å; V465-Y469 PolarHBondContact O-N 2.99Å
466L40.9Very low45.7Very low65 Ų65129.4 Ų129.434%0.3462%0.618SS.*Hα-helixtrans-78.9-34.4-179.5-9880.2000111.3K462 V463 F468 Y469 L470K462-L466 HydrophobicContact CB-CD1 4.09Å; K462-L466 WeakPolarHBondContact O-CA 3.31Å; K462-L466 VanDerWaalsContact O-CB 3.26Å; K462-L466 WeakPolarHBondContact O-CB 3.16Å; K462-L466 WeakPolarHBondContact O-CD1 3.44Å; K462-L466 PolarHBondContact O-N 2.79Å; V463-L466 PolarHBondContact O-N 3.22Å; L466-F468 PolarHBondContact O-N 3.38Å; L466-Y469 PolarHBondContact O-N 2.89Å; L466-L470 HydrophobicContact CD1-CD1 4.48Å; L466-L470 HydrophobicContact CD2-CB 3.99Å; L466-L470 HydrophobicContact CD2-CD1 3.96Å; L466-L470 HydrophobicContact CG-CB 3.93Å; L466-L470 HydrophobicContact CG-CD1 3.98Å; L466-L470 HydrophobicContact CG-CG 4.28Å; L466-L470 CarbonylContact O-C 3.57Å; L466-L470 PolarHBondContact O-N 3.46Å
467F36.8Very low44.3Very low183 Ų183132.9 Ų132.980%0.80363%0.628SS**THydrogen-bonded Turntrans-59.7-12.1165.5-153.7-90.7000111.7V463V463-F467 WeakPolarHBondContact O-CB 3.4Å; V463-F467 PolarHBondContact O-N 3.43Å
468F38.6Very low42.7Very low171 Ų171132.6 Ų132.675%0.7563%0.627SS**THydrogen-bonded Turntrans-107.7-6.7167.6-96.3-86.3000115.5V465 L466V465-F468 CarbonylContact O-C 3.57Å; V465-F468 WeakPolarHBondContact O-CA 3.25Å; V465-F468 WeakPolarHBondContact O-CB 3.33Å; V465-F468 PolarHBondContact O-N 2.87Å; V465-F468 VanDerWaalsContact O-N 3.12Å; L466-F468 PolarHBondContact O-N 3.38Å
469Y39.8Very low41Very low188 Ų188132.8 Ų132.874%0.73764%0.635SS**THydrogen-bonded Turntrans-142.9-22.5-171.1-93.9-82.5000119.2V465 L466V465-Y469 WeakPolarHBondContact O-CB 3.43Å; V465-Y469 PolarHBondContact O-N 2.99Å; L466-Y469 PolarHBondContact O-N 2.89Å
470L32.9Very low39.6Very low102 Ų102140.2 Ų140.253%0.53467%0.666SS.*  trans-146.5123179-62.3170.5000109.3L466L466-L470 HydrophobicContact CD1-CD1 4.48Å; L466-L470 HydrophobicContact CD2-CB 3.99Å; L466-L470 HydrophobicContact CD2-CD1 3.96Å; L466-L470 HydrophobicContact CG-CB 3.93Å; L466-L470 HydrophobicContact CG-CD1 3.98Å; L466-L470 HydrophobicContact CG-CG 4.28Å; L466-L470 CarbonylContact O-C 3.57Å; L466-L470 PolarHBondContact O-N 3.46Å
471R36.7Very low38.5Very low212 Ų212139.4 Ų139.480%0.866%0.662SS**SBendcis54.385.215.5-158.3168.1-170.9162.62.8114.8
472E32.4Very low37.5Very low154 Ų154140.3 Ų140.372%0.7268%0.678SS**  trans74101.9160.9-64.8161.7-128.500117
473P34.4Very low36.8Very low101 Ų101139.2 Ų139.266%0.65668%0.682SS**  trans-113.6171.5174.340.5-32.2000114.8
474N35.4Very low36.3Very low142 Ų142140.7 Ų140.776%0.75969%0.687SS**  trans72.9163.5170.1-51.3-43000114.8
475V36.3Very low36.4Very low129 Ų129139.5 Ų139.578%0.78269%0.688SS**  cis-134.6127.719.71740000108.3
476F31.6Very low36Very low185 Ų185143.2 Ų143.281%0.81170%0.7SS**  69.1147.779.6-127.2-89.2000116.3
477K34.9Very low36.1Very low185 Ų185147.9 Ų147.980%0.80471%0.714SS**  trans-67.5145.7-176.3-54.7168-178.4171.20113.1
478K36.5Very low36.3Very low152 Ų152143.3 Ų143.366%0.66170%0.695SS**  -164.7148.2125.9-112.4162.9-174.5174.90112.8
479N30.6Very low36.6Very low146 Ų146141.1 Ų141.178%0.78169%0.687SS**  trans-159.288.5155.4-156-19.1000111.1
480K32.7Very low36.8Very low201 Ų201137 Ų13787%0.87467%0.674SS**  trans-168.9110.2157-117.6178.7-178.5-178.50109.7
481L32.2Very low37.6Very low96 Ų96139.5 Ų139.550%0.50368%0.677SS.*  trans-136.196.8-177.8-86.8164.8000111.3Y1164L481-Y1164 HydrophobicContact CD1-CD1 3.53Å; L481-Y1164 HydrophobicContact CD1-CD2 3.94Å; L481-Y1164 HydrophobicContact CD1-CE1 3.96Å; L481-Y1164 HydrophobicContact CD1-CE2 4.36Å; L481-Y1164 HydrophobicContact CD1-CG 3.49Å; L481-Y1164 VanDerWaalsContact CD1-CG 3.49Å; L481-Y1164 HydrophobicContact CD2-CD1 4.24Å; L481-Y1164 HydrophobicContact CD2-CD2 3.6Å; L481-Y1164 HydrophobicContact CD2-CE1 4Å; L481-Y1164 HydrophobicContact CD2-CE2 3.34Å; L481-Y1164 HydrophobicContact CD2-CG 4.03Å; L481-Y1164 HydrophobicContact CG-CD1 4.47Å; L481-Y1164 HydrophobicContact CG-CD2 4.44Å; L481-Y1164 HydrophobicContact CG-CE1 4.47Å; L481-Y1164 HydrophobicContact CG-CE2 4.48Å; L481-Y1164 HydrophobicContact CG-CG 4.42Å
482A33.8Very low38.1Very low105 Ų105134.7 Ų134.787%0.86866%0.664SS**SBendtrans-168.471.5169.100000110.7
483S37.2Very low38.9Very low68 Ų68134 Ų13448%0.47666%0.655SS.*  trans-162.9-38.4172.4-161.30000115.4H485 H486S483-H485 PolarHBondContact O-N 2.84Å; S483-H486 PolarHBondContact O-N 2.99Å
484N39.8Very low39.6Very low109 Ų109133.4 Ų133.458%0.58364%0.644SS**THydrogen-bonded Turntrans-74.143.8-166.6-66.536.5000116.3
485H42.8Very low40.2Very low157 Ų157130.2 Ų130.273%0.72763%0.627SS**THydrogen-bonded Turntrans-121.3-28.8157.5-98.637.8000112.5S483S483-H485 PolarHBondContact O-N 2.84Å
486H40.7Very low40.8Very low157 Ų157128.8 Ų128.873%0.72761%0.613SS**Hα-helixtrans-74.9-44.7176.1-151.160.1000111.2S483 H488 H489 H490S483-H486 PolarHBondContact O-N 2.99Å; H486-H488 PolarHBondContact O-N 2.76Å; H486-H489 PolarHBondContact O-N 3.42Å; H486-H490 WeakPolarHBondContact O-CB 3.29Å; H486-H490 PolarHBondContact O-N 3.14Å
487Y42Very low41.7Very low162 Ų162125.7 Ų125.764%0.63560%0.599SS**Hα-helixtrans-58.4-41.8178.8-98-87.7000113.8H490 Y491Y487-H490 PolarHBondContact O-N 3.07Å; Y487-Y491 VanDerWaalsContact O-CB 3.25Å; Y487-Y491 WeakPolarHBondContact O-CB 3.41Å; Y487-Y491 PolarHBondContact O-N 3.45Å
488H41.8Very low42.5Very low88 Ų88124.8 Ų124.841%0.40759%0.591SS.*Hα-helixtrans-72.8-34-174.9-150-45.1000112.5H486 H492H486-H488 PolarHBondContact O-N 2.76Å; H488-H492 WeakPolarHBondContact O-CB 3.41Å; H488-H492 PolarHBondContact O-N 2.98Å; H488-H492 VanDerWaalsContact O-N 3.15Å
489H43.5Very low43.2Very low125 Ų125122.5 Ų122.558%0.57959%0.585SS**Hα-helixtrans-74.9-37.5174.7-158.7-0.8000111.2H486 Y493H486-H489 PolarHBondContact O-N 3.42Å; H489-Y493 AromaticContact CE1-CD2 3.69Å; H489-Y493 AromaticContact CE1-CE2 3.64Å; H489-Y493 AromaticContact ND1-CD2 3.69Å; H489-Y493 WeakPolarHBondContact O-CB 3.45Å; H489-Y493 PolarHBondContact O-N 2.98Å
490H45.6Very low44.4Very low101 Ų101120.2 Ų120.247%0.46857%0.57SS.*Hα-helixtrans-69.5-39.4176.3-166.652.9000112.5H486 Y487 Y493 Q494H486-H490 WeakPolarHBondContact O-CB 3.29Å; H486-H490 PolarHBondContact O-N 3.14Å; Y487-H490 PolarHBondContact O-N 3.07Å; H490-Y493 CarbonylContact O-C 3.56Å; H490-Y493 PolarHBondContact O-N 3.41Å; H490-Q494 PolarHBondContact CD2-NE2 3.49Å; H490-Q494 PolarHBondContact NE2-NE2 2.98Å; H490-Q494 WeakPolarHBondContact O-CB 3.48Å; H490-Q494 WeakPolarHBondContact O-CG 3.23Å; H490-Q494 PolarHBondContact O-N 3.07Å
491Y48Very low45.4Very low154 Ų154115.7 Ų115.760%0.60455%0.552SS**Hα-helixtrans-68.2-38.2175.3-156.5-102.7000111.5Y487 Q494 L495Y487-Y491 VanDerWaalsContact O-CB 3.25Å; Y487-Y491 WeakPolarHBondContact O-CB 3.41Å; Y487-Y491 PolarHBondContact O-N 3.45Å; Y491-Q494 PolarHBondContact O-N 3.42Å; Y491-L495 HydrophobicContact CD1-CD1 3.84Å; Y491-L495 HydrophobicContact CE1-CD1 3.85Å; Y491-L495 WeakPolarHBondContact O-CB 3.07Å; Y491-L495 PolarHBondContact O-N 2.9Å
492H47.1Very low46.7Very low112 Ų112115 Ų11552%0.51955%0.549SS..Hα-helixtrans-68.8-35.9172.7-160.7-28.3000112H488 L495 M496H488-H492 WeakPolarHBondContact O-CB 3.41Å; H488-H492 PolarHBondContact O-N 2.98Å; H488-H492 VanDerWaalsContact O-N 3.15Å; H492-L495 PolarHBondContact O-N 3.12Å; H492-M496 WeakPolarHBondContact O-CB 3.43Å; H492-M496 WeakPolarHBondContact O-CG 3.35Å; H492-M496 PolarHBondContact O-N 3.46Å
493Y49.9Very low48.2Very low138 Ų138115.7 Ų115.754%0.54154%0.536SS..Hα-helixtrans-67-37.2170.6-111.8-81.5000112.2H489 H490 M496 F497H489-Y493 AromaticContact CE1-CD2 3.69Å; H489-Y493 AromaticContact CE1-CE2 3.64Å; H489-Y493 AromaticContact ND1-CD2 3.69Å; H489-Y493 WeakPolarHBondContact O-CB 3.45Å; H489-Y493 PolarHBondContact O-N 2.98Å; H490-Y493 CarbonylContact O-C 3.56Å; H490-Y493 PolarHBondContact O-N 3.41Å; Y493-M496 PolarHBondContact O-N 3.39Å; Y493-F497 HydrophobicContact CD1-CD2 4.19Å; Y493-F497 HydrophobicContact CD1-CE2 4.39Å; Y493-F497 WeakPolarHBondContact O-CB 3.22Å; Y493-F497 PolarHBondContact O-N 3.05Å
494Q49.9Very low49.5Very low89 Ų89116.5 Ų116.542%0.41654%0.535SS..Hα-helixtrans-71-29.8174.9-76-178.34.200112.6H490 Y491 R498H490-Q494 PolarHBondContact CD2-NE2 3.49Å; H490-Q494 PolarHBondContact NE2-NE2 2.98Å; H490-Q494 WeakPolarHBondContact O-CB 3.48Å; H490-Q494 WeakPolarHBondContact O-CG 3.23Å; H490-Q494 PolarHBondContact O-N 3.07Å; Y491-Q494 PolarHBondContact O-N 3.42Å; Q494-R498 WeakPolarHBondContact O-CB 3.43Å; Q494-R498 WeakPolarHBondContact O-CG 3.38Å; Q494-R498 PolarHBondContact O-N 3.14Å
495L46.9Very low50.6Low76 Ų76116 Ų11640%0.39853%0.531SS..Hα-helixtrans-74.1-35.7170.4-91.2159.3000112.3Y491 H492 N499Y491-L495 HydrophobicContact CD1-CD1 3.84Å; Y491-L495 HydrophobicContact CE1-CD1 3.85Å; Y491-L495 WeakPolarHBondContact O-CB 3.07Å; Y491-L495 PolarHBondContact O-N 2.9Å; H492-L495 PolarHBondContact O-N 3.12Å; L495-N499 WeakPolarHBondContact O-CB 3.5Å; L495-N499 VanDerWaalsContact O-CG 3.25Å; L495-N499 PolarHBondContact O-N 3.49Å; L495-N499 PolarHBondContact O-ND2 3.17Å
496M50.3Low51.6Low98 Ų98113.1 Ų113.148%0.48352%0.518SS..Hα-helixtrans-64.7-54.8170.1-66.8-87.6-69.800110H492 Y493 R498 N499 E500H492-M496 WeakPolarHBondContact O-CB 3.43Å; H492-M496 WeakPolarHBondContact O-CG 3.35Å; H492-M496 PolarHBondContact O-N 3.46Å; Y493-M496 PolarHBondContact O-N 3.39Å; M496-R498 VanDerWaalsContact C-N 3.3Å; M496-R498 PolarHBondContact O-N 3.23Å; M496-N499 CarbonylContact O-C 3.39Å; M496-N499 WeakPolarHBondContact O-CA 3.23Å; M496-N499 PolarHBondContact O-N 3.05Å; M496-E500 PolarHBondContact O-N 3.41Å
497F50.2Low53Low120 Ų120111.9 Ų111.953%0.52651%0.513SS..Hα-helixtrans-57.5-38.1175.5-105.8-95.2000112.6Y493 N499 E500 E501Y493-F497 HydrophobicContact CD1-CD2 4.19Å; Y493-F497 HydrophobicContact CD1-CE2 4.39Å; Y493-F497 WeakPolarHBondContact O-CB 3.22Å; Y493-F497 PolarHBondContact O-N 3.05Å; F497-N499 VanDerWaalsContact C-N 3.35Å; F497-E500 PolarHBondContact O-N 2.9Å; F497-E501 WeakPolarHBondContact O-CB 3.44Å; F497-E501 VanDerWaalsContact O-CG 3.23Å; F497-E501 WeakPolarHBondContact O-CG 3.31Å; F497-E501 PolarHBondContact O-N 3.34Å
498R50.3Low54.2Low167 Ų167109 Ų10963%0.6351%0.505SS*.Hα-helixtrans-71.7-26.9173.9-85.3-177.3159.6-170.5-5.4113.5Q494 M496 N502Q494-R498 WeakPolarHBondContact O-CB 3.43Å; Q494-R498 WeakPolarHBondContact O-CG 3.38Å; Q494-R498 PolarHBondContact O-N 3.14Å; M496-R498 VanDerWaalsContact C-N 3.3Å; M496-R498 PolarHBondContact O-N 3.23Å; R498-N502 WeakPolarHBondContact O-CB 3.37Å; R498-N502 VanDerWaalsContact O-CG 3.27Å; R498-N502 PolarHBondContact O-N 2.71Å; R498-N502 PolarHBondContact O-ND2 3.15Å
499N52.7Low55.5Low103 Ų103109.4 Ų109.455%0.55151%0.51SS*.Hα-helixtrans-80.1-33.2174-76.3-23.8000111.4L495 M496 F497 M503L495-N499 WeakPolarHBondContact O-CB 3.5Å; L495-N499 VanDerWaalsContact O-CG 3.25Å; L495-N499 PolarHBondContact O-N 3.49Å; L495-N499 PolarHBondContact O-ND2 3.17Å; M496-N499 CarbonylContact O-C 3.39Å; M496-N499 WeakPolarHBondContact O-CA 3.23Å; M496-N499 PolarHBondContact O-N 3.05Å; F497-N499 VanDerWaalsContact C-N 3.35Å; N499-M503 VanDerWaalsContact O-CB 3.3Å; N499-M503 WeakPolarHBondContact O-CB 3.37Å; N499-M503 PolarHBondContact O-N 2.73Å
500E55.3Low56.8Low99 Ų99108 Ų10846%0.46351%0.507SS..Hα-helixtrans-69.5-47169.7-71.2170.7131.400110.5M496 F497 N502 M503 D504M496-E500 PolarHBondContact O-N 3.41Å; F497-E500 PolarHBondContact O-N 2.9Å; E500-N502 VanDerWaalsContact C-N 3.32Å; E500-N502 PolarHBondContact O-N 2.82Å; E500-M503 CarbonylContact O-C 3.43Å; E500-M503 WeakPolarHBondContact O-CA 3.28Å; E500-M503 PolarHBondContact O-N 3.35Å; E500-D504 WeakPolarHBondContact O-CB 3.43Å; E500-D504 PolarHBondContact O-N 3.28Å
501E54.4Low58Low106 Ų106105.7 Ų105.750%0.49550%0.502SS..Hα-helixtrans-58.2-39.6170.3-77.2178.5150.500111.9F497 M503 L505F497-E501 WeakPolarHBondContact O-CB 3.44Å; F497-E501 VanDerWaalsContact O-CG 3.23Å; F497-E501 WeakPolarHBondContact O-CG 3.31Å; F497-E501 PolarHBondContact O-N 3.34Å; E501-M503 VanDerWaalsContact C-N 3.33Å; E501-L505 WeakPolarHBondContact O-CB 3.44Å; E501-L505 WeakPolarHBondContact O-CD1 3.48Å; E501-L505 WeakPolarHBondContact O-CG 3.38Å; E501-L505 PolarHBondContact O-N 3.26Å
502N59.7Low59Low82 Ų82102 Ų10244%0.43949%0.492SS..Hα-helixtrans-73-24.5174.2-83.1-61.2000112.9R498 E500 H506R498-N502 WeakPolarHBondContact O-CB 3.37Å; R498-N502 VanDerWaalsContact O-CG 3.27Å; R498-N502 PolarHBondContact O-N 2.71Å; R498-N502 PolarHBondContact O-ND2 3.15Å; E500-N502 VanDerWaalsContact C-N 3.32Å; E500-N502 PolarHBondContact O-N 2.82Å; N502-H506 WeakPolarHBondContact O-CB 3.19Å; N502-H506 PolarHBondContact O-CD2 3.44Å; N502-H506 PolarHBondContact O-N 3.48Å
503M65.2Low60.1Low119 Ų11999.1 Ų99.159%0.58648%0.484SS*.Hα-helixtrans-78.7-45.8174.2-163.8-176.679.800110.4N499 E500 E501 L505 H506 E507N499-M503 VanDerWaalsContact O-CB 3.3Å; N499-M503 WeakPolarHBondContact O-CB 3.37Å; N499-M503 PolarHBondContact O-N 2.73Å; E500-M503 CarbonylContact O-C 3.43Å; E500-M503 WeakPolarHBondContact O-CA 3.28Å; E500-M503 PolarHBondContact O-N 3.35Å; E501-M503 VanDerWaalsContact C-N 3.33Å; M503-L505 VanDerWaalsContact C-N 3.28Å; M503-L505 PolarHBondContact O-N 3.44Å; M503-H506 CarbonylContact O-C 3.57Å; M503-H506 PolarHBondContact O-N 3.44Å; M503-H506 VanDerWaalsContact O-N 3.1Å; M503-E507 WeakPolarHBondContact O-CB 3.44Å; M503-E507 PolarHBondContact O-N 3.24Å
504D64.1Low61.3Low85 Ų8596.3 Ų96.346%0.45548%0.481SS..Hα-helixtrans-57.8-38.8169-83.411.5000111.3E500 Q508E500-D504 WeakPolarHBondContact O-CB 3.43Å; E500-D504 PolarHBondContact O-N 3.28Å; D504-Q508 WeakPolarHBondContact O-CB 3.2Å; D504-Q508 WeakPolarHBondContact O-CG 3.4Å; D504-Q508 PolarHBondContact O-N 2.87Å; D504-Q508 PolarHBondContact O-NE2 3.22Å
505L62.1Low62.3Low98 Ų9898.5 Ų98.551%0.51349%0.486SS..Hα-helixtrans-72.1-34.3174.3-78167.8000112.1E501 M503 L509E501-L505 WeakPolarHBondContact O-CB 3.44Å; E501-L505 WeakPolarHBondContact O-CD1 3.48Å; E501-L505 WeakPolarHBondContact O-CG 3.38Å; E501-L505 PolarHBondContact O-N 3.26Å; M503-L505 VanDerWaalsContact C-N 3.28Å; M503-L505 PolarHBondContact O-N 3.44Å; L505-L509 WeakPolarHBondContact O-CB 3.28Å; L505-L509 PolarHBondContact O-N 2.85Å
506H64Low63.3Low96 Ų9699.8 Ų99.844%0.44449%0.492SS..Hα-helixtrans-70.7-40.7171.7-101.1-70.3000112N502 M503 L509 D510N502-H506 WeakPolarHBondContact O-CB 3.19Å; N502-H506 PolarHBondContact O-CD2 3.44Å; N502-H506 PolarHBondContact O-N 3.48Å; M503-H506 CarbonylContact O-C 3.57Å; M503-H506 PolarHBondContact O-N 3.44Å; M503-H506 VanDerWaalsContact O-N 3.1Å; H506-L509 CarbonylContact O-C 3.53Å; H506-L509 PolarHBondContact O-N 2.86Å; H506-L509 VanDerWaalsContact O-N 3.16Å; H506-D510 WeakPolarHBondContact O-CB 3.48Å; H506-D510 PolarHBondContact O-N 3.27Å
507E70.3Confident64.3Low132 Ų13299.2 Ų99.262%0.61749%0.494SS*.Hα-helixtrans-71.9-31.6176.9-168.9166.5-129.500111.1M503 S511M503-E507 WeakPolarHBondContact O-CB 3.44Å; M503-E507 PolarHBondContact O-N 3.24Å; E507-S511 WeakPolarHBondContact O-CA 3.21Å; E507-S511 WeakPolarHBondContact O-CB 3.38Å; E507-S511 PolarHBondContact O-N 3.48Å
508Q66.7Low65.4Low102 Ų10299.1 Ų99.148%0.47750%0.495SS..Hα-helixtrans-68.1-39.8165-77.7171.567.400112.1D504 S511 I512D504-Q508 WeakPolarHBondContact O-CB 3.2Å; D504-Q508 WeakPolarHBondContact O-CG 3.4Å; D504-Q508 PolarHBondContact O-N 2.87Å; D504-Q508 PolarHBondContact O-NE2 3.22Å; Q508-S511 CarbonylContact O-C 3.53Å; Q508-S511 PolarHBondContact O-N 2.81Å; Q508-I512 WeakPolarHBondContact O-CB 3.5Å; Q508-I512 WeakPolarHBondContact O-CD1 3.16Å; Q508-I512 WeakPolarHBondContact O-CG1 3.19Å; Q508-I512 PolarHBondContact O-N 2.96Å
509L69.2Low66Low96 Ų9693.1 Ų93.150%0.50348%0.481SS..Hα-helixtrans-69.6-37.5178.2-16873000111.5L505 H506 I512 S513L505-L509 WeakPolarHBondContact O-CB 3.28Å; L505-L509 PolarHBondContact O-N 2.85Å; H506-L509 CarbonylContact O-C 3.53Å; H506-L509 PolarHBondContact O-N 2.86Å; H506-L509 VanDerWaalsContact O-N 3.16Å; L509-I512 CarbonylContact O-C 3.55Å; L509-I512 PolarHBondContact O-N 3.39Å; L509-S513 WeakPolarHBondContact O-CB 3.36Å; L509-S513 PolarHBondContact O-N 2.93Å; L509-S513 PolarHBondContact O-OG 2.9Å
510D71.1Confident66.6Low96 Ų9691.3 Ų91.351%0.51347%0.474SS..Hα-helixtrans-72.3-39172.8-76.2-12.6000110.3H506 I512 S513 V514H506-D510 WeakPolarHBondContact O-CB 3.48Å; H506-D510 PolarHBondContact O-N 3.27Å; D510-I512 VanDerWaalsContact C-N 3.31Å; D510-I512 PolarHBondContact O-N 3.49Å; D510-S513 PolarHBondContact O-N 3.35Å; D510-V514 VanDerWaalsContact O-CB 3.31Å; D510-V514 WeakPolarHBondContact O-CB 3.48Å; D510-V514 VanDerWaalsContact O-CG2 3.28Å; D510-V514 WeakPolarHBondContact O-CG2 3.24Å; D510-V514 PolarHBondContact O-N 3.27Å
511S71.4Confident67.1Low52 Ų5292.5 Ų92.536%0.36448%0.478SS..Hα-helixtrans-64.3-33.7170.8-179.70000112.5E507 Q508 R515E507-S511 WeakPolarHBondContact O-CA 3.21Å; E507-S511 WeakPolarHBondContact O-CB 3.38Å; E507-S511 PolarHBondContact O-N 3.48Å; Q508-S511 CarbonylContact O-C 3.53Å; Q508-S511 PolarHBondContact O-N 2.81Å; S511-R515 WeakPolarHBondContact O-CB 3.31Å; S511-R515 VanDerWaalsContact O-CG 3.27Å; S511-R515 WeakPolarHBondContact O-CG 3.29Å; S511-R515 PolarHBondContact O-N 3.44Å; S511-R515 PolarHBondContact O-NE 2.81Å; S511-R515 PolarHBondContact OG-NE 3.31Å; S511-R515 PolarHBondContact OG-NH2 3.31Å
512I69Low67.3Low77 Ų7789.9 Ų89.940%0.39547%0.474SS..Hα-helixtrans-75.6-35.8173.3-75.3164.7000110.5Q508 L509 D510 R515 L516Q508-I512 WeakPolarHBondContact O-CB 3.5Å; Q508-I512 WeakPolarHBondContact O-CD1 3.16Å; Q508-I512 WeakPolarHBondContact O-CG1 3.19Å; Q508-I512 PolarHBondContact O-N 2.96Å; L509-I512 CarbonylContact O-C 3.55Å; L509-I512 PolarHBondContact O-N 3.39Å; D510-I512 VanDerWaalsContact C-N 3.31Å; D510-I512 PolarHBondContact O-N 3.49Å; I512-R515 CarbonylContact O-C 3.6Å; I512-R515 PolarHBondContact O-N 2.92Å; I512-L516 HydrophobicContact CG2-CD1 4Å; I512-L516 VanDerWaalsContact O-CB 3.23Å; I512-L516 WeakPolarHBondContact O-CB 3.4Å; I512-L516 WeakPolarHBondContact O-CG 3.11Å; I512-L516 PolarHBondContact O-N 2.9Å
513S70.2Confident67.1Low51 Ų5190.5 Ų90.536%0.35748%0.477SS..Hα-helixtrans-73.3-40.3177.9-61.60000111.5L509 D510 L516 V517L509-S513 WeakPolarHBondContact O-CB 3.36Å; L509-S513 PolarHBondContact O-N 2.93Å; L509-S513 PolarHBondContact O-OG 2.9Å; D510-S513 PolarHBondContact O-N 3.35Å; S513-L516 CarbonylContact O-C 3.53Å; S513-L516 PolarHBondContact O-N 3.47Å; S513-V517 WeakPolarHBondContact O-CB 3.42Å; S513-V517 VanDerWaalsContact O-CG2 3.31Å; S513-V517 WeakPolarHBondContact O-CG2 3.49Å; S513-V517 PolarHBondContact O-N 2.66Å
514V73.5Confident66.5Low79 Ų7990.4 Ų90.448%0.47948%0.475SS..Hα-helixtrans-61.9-49.5168170.20000109.3D510 L516 V517 E518D510-V514 VanDerWaalsContact O-CB 3.31Å; D510-V514 WeakPolarHBondContact O-CB 3.48Å; D510-V514 VanDerWaalsContact O-CG2 3.28Å; D510-V514 WeakPolarHBondContact O-CG2 3.24Å; D510-V514 PolarHBondContact O-N 3.27Å; V514-L516 VanDerWaalsContact C-N 3.25Å; V514-L516 PolarHBondContact O-N 2.86Å; V514-V517 CarbonylContact O-C 3.6Å; V514-V517 PolarHBondContact O-N 3.33Å; V514-V517 VanDerWaalsContact O-N 3.15Å; V514-E518 HydrophobicContact CG1-CG 4.17Å; V514-E518 VanDerWaalsContact O-CB 3.29Å; V514-E518 WeakPolarHBondContact O-CB 3.35Å; V514-E518 VanDerWaalsContact O-CG 3.31Å; V514-E518 WeakPolarHBondContact O-CG 3.42Å; V514-E518 PolarHBondContact O-N 3.02Å
515R71.1Confident65.8Low135 Ų13590.9 Ų90.951%0.50948%0.476SS..Hα-helixtrans-63.6-26.2174.5-79.1177-75.5165.3-7.7113.9S511 I512 A519S511-R515 WeakPolarHBondContact O-CB 3.31Å; S511-R515 VanDerWaalsContact O-CG 3.27Å; S511-R515 WeakPolarHBondContact O-CG 3.29Å; S511-R515 PolarHBondContact O-N 3.44Å; S511-R515 PolarHBondContact O-NE 2.81Å; S511-R515 PolarHBondContact OG-NE 3.31Å; S511-R515 PolarHBondContact OG-NH2 3.31Å; I512-R515 CarbonylContact O-C 3.6Å; I512-R515 PolarHBondContact O-N 2.92Å; R515-A519 WeakPolarHBondContact O-CA 3.47Å; R515-A519 WeakPolarHBondContact O-CB 3.45Å; R515-A519 PolarHBondContact O-N 2.85Å
516L68Low64.7Low103 Ų10393.3 Ų93.354%0.53948%0.483SS..Hα-helixtrans-78.7-35.6172.7-91.4165.5000112.1I512 S513 V514 T520I512-L516 HydrophobicContact CG2-CD1 4Å; I512-L516 VanDerWaalsContact O-CB 3.23Å; I512-L516 WeakPolarHBondContact O-CB 3.4Å; I512-L516 WeakPolarHBondContact O-CG 3.11Å; I512-L516 PolarHBondContact O-N 2.9Å; S513-L516 CarbonylContact O-C 3.53Å; S513-L516 PolarHBondContact O-N 3.47Å; V514-L516 VanDerWaalsContact C-N 3.25Å; V514-L516 PolarHBondContact O-N 2.86Å; L516-T520 WeakPolarHBondContact O-CA 3.2Å; L516-T520 WeakPolarHBondContact O-CB 3.25Å; L516-T520 PolarHBondContact O-N 2.77Å; L516-T520 PolarHBondContact O-OG1 3.42Å
517V72.8Confident63.5Low85 Ų8597.3 Ų97.352%0.51550%0.495SS..Hα-helixtrans-73.5-34.6173169.10000110.8S513 V514 K521S513-V517 WeakPolarHBondContact O-CB 3.42Å; S513-V517 VanDerWaalsContact O-CG2 3.31Å; S513-V517 WeakPolarHBondContact O-CG2 3.49Å; S513-V517 PolarHBondContact O-N 2.66Å; V514-V517 CarbonylContact O-C 3.6Å; V514-V517 PolarHBondContact O-N 3.33Å; V514-V517 VanDerWaalsContact O-N 3.15Å; V517-K521 WeakPolarHBondContact O-CB 3.43Å; V517-K521 VanDerWaalsContact O-CG 3.3Å; V517-K521 WeakPolarHBondContact O-CG 3.38Å; V517-K521 PolarHBondContact O-N 2.97Å
518E71.6Confident61.9Low118 Ų11893 Ų9355%0.55149%0.487SS*.Hα-helixtrans-73.1-39171.8-72.7-179.7153.700111.6V514 A522V514-E518 HydrophobicContact CG1-CG 4.17Å; V514-E518 VanDerWaalsContact O-CB 3.29Å; V514-E518 WeakPolarHBondContact O-CB 3.35Å; V514-E518 VanDerWaalsContact O-CG 3.31Å; V514-E518 WeakPolarHBondContact O-CG 3.42Å; V514-E518 PolarHBondContact O-N 3.02Å; E518-A522 WeakPolarHBondContact O-CA 3.43Å; E518-A522 WeakPolarHBondContact O-CB 3.17Å; E518-A522 PolarHBondContact O-N 3.18Å
519A64.3Low60.6Low42 Ų4293.4 Ų93.435%0.34749%0.492SS..Hα-helixtrans-69.8-38.7172.100000111.5R515 A522 I523R515-A519 WeakPolarHBondContact O-CA 3.47Å; R515-A519 WeakPolarHBondContact O-CB 3.45Å; R515-A519 PolarHBondContact O-N 2.85Å; A519-A522 PolarHBondContact O-N 3.31Å; A519-I523 VanDerWaalsContact O-CB 3.29Å; A519-I523 WeakPolarHBondContact O-CB 3.36Å; A519-I523 WeakPolarHBondContact O-CD1 3.17Å; A519-I523 WeakPolarHBondContact O-CG1 3.25Å; A519-I523 PolarHBondContact O-N 3.22Å
520T65.2Low58.9Low65 Ų6590.6 Ų90.640%0.39948%0.483SS..Hα-helixtrans-67.5-44.6175.2-57.80000109.9L516 A522 I523 E524L516-T520 WeakPolarHBondContact O-CA 3.2Å; L516-T520 WeakPolarHBondContact O-CB 3.25Å; L516-T520 PolarHBondContact O-N 2.77Å; L516-T520 PolarHBondContact O-OG1 3.42Å; T520-A522 VanDerWaalsContact C-N 3.35Å; T520-A522 PolarHBondContact O-N 2.81Å; T520-I523 CarbonylContact O-C 3.53Å; T520-I523 PolarHBondContact O-N 3.45Å; T520-E524 HydrophobicContact CG2-CG 4.31Å; T520-E524 WeakPolarHBondContact O-CB 3.37Å; T520-E524 VanDerWaalsContact O-CG 3.29Å; T520-E524 WeakPolarHBondContact O-CG 3.33Å; T520-E524 PolarHBondContact O-N 3.24Å
521K65.8Low57.2Low124 Ų12490 Ų9054%0.53948%0.483SS..Hα-helixtrans-63.4-36.6170-80.3-175.1174.7-178.10112.9V517 I523 E524 I525V517-K521 WeakPolarHBondContact O-CB 3.43Å; V517-K521 VanDerWaalsContact O-CG 3.3Å; V517-K521 WeakPolarHBondContact O-CG 3.38Å; V517-K521 PolarHBondContact O-N 2.97Å; K521-I523 VanDerWaalsContact C-N 3.28Å; K521-I523 PolarHBondContact O-N 3.3Å; K521-E524 PolarHBondContact O-N 2.69Å; K521-I525 WeakPolarHBondContact O-CB 3.46Å; K521-I525 WeakPolarHBondContact O-CD1 3.41Å; K521-I525 WeakPolarHBondContact O-CG1 3.21Å; K521-I525 PolarHBondContact O-N 3.21Å
522A59Low55.5Low51 Ų5190.2 Ų90.242%0.42149%0.487SS..Hα-helixtrans-68.1-31.7175.900000111.2E518 A519 T520 F526E518-A522 WeakPolarHBondContact O-CA 3.43Å; E518-A522 WeakPolarHBondContact O-CB 3.17Å; E518-A522 PolarHBondContact O-N 3.18Å; A519-A522 PolarHBondContact O-N 3.31Å; T520-A522 VanDerWaalsContact C-N 3.35Å; T520-A522 PolarHBondContact O-N 2.81Å; A522-F526 VanDerWaalsContact O-CB 3.26Å; A522-F526 WeakPolarHBondContact O-CB 3.43Å; A522-F526 PolarHBondContact O-N 2.8Å
523I55.7Low54Low95 Ų9589.7 Ų89.749%0.48750%0.495SS..Hα-helixtrans-75.8-43.4173-72.5164.3000111A519 T520 K521 I525 F526 Y527A519-I523 VanDerWaalsContact O-CB 3.29Å; A519-I523 WeakPolarHBondContact O-CB 3.36Å; A519-I523 WeakPolarHBondContact O-CD1 3.17Å; A519-I523 WeakPolarHBondContact O-CG1 3.25Å; A519-I523 PolarHBondContact O-N 3.22Å; T520-I523 CarbonylContact O-C 3.53Å; T520-I523 PolarHBondContact O-N 3.45Å; K521-I523 VanDerWaalsContact C-N 3.28Å; K521-I523 PolarHBondContact O-N 3.3Å; I523-I525 VanDerWaalsContact C-N 3.29Å; I523-I525 PolarHBondContact O-N 2.81Å; I523-F526 CarbonylContact O-C 3.59Å; I523-F526 PolarHBondContact O-N 2.82Å; I523-F526 VanDerWaalsContact O-N 3.11Å; I523-Y527 HydrophobicContact CG2-CD2 3.87Å; I523-Y527 HydrophobicContact CG2-CE2 4.3Å; I523-Y527 WeakPolarHBondContact O-CB 3.49Å; I523-Y527 WeakPolarHBondContact O-CD2 3.34Å; I523-Y527 PolarHBondContact O-N 3.02Å
524E51.2Low52.4Low117 Ų11790 Ų9055%0.54750%0.5SS..Hα-helixtrans-65-33.9173.3-71.6171.615600111.2T520 K521 G528 D529T520-E524 HydrophobicContact CG2-CG 4.31Å; T520-E524 WeakPolarHBondContact O-CB 3.37Å; T520-E524 VanDerWaalsContact O-CG 3.29Å; T520-E524 WeakPolarHBondContact O-CG 3.33Å; T520-E524 PolarHBondContact O-N 3.24Å; K521-E524 PolarHBondContact O-N 2.69Å; E524-G528 WeakPolarHBondContact O-CA 3.31Å; E524-G528 PolarHBondContact O-N 3.14Å; E524-D529 PolarHBondContact O-N 3.5Å
525I50Low50.7Low94 Ų9488.3 Ų88.348%0.48250%0.495SS..Iπ-helixtrans-72.5-40.5168.9-68.7164.3000109.8K521 I523 Y527 D529 A530K521-I525 WeakPolarHBondContact O-CB 3.46Å; K521-I525 WeakPolarHBondContact O-CD1 3.41Å; K521-I525 WeakPolarHBondContact O-CG1 3.21Å; K521-I525 PolarHBondContact O-N 3.21Å; I523-I525 VanDerWaalsContact C-N 3.29Å; I523-I525 PolarHBondContact O-N 2.81Å; I525-Y527 PolarHBondContact O-N 2.86Å; I525-D529 PolarHBondContact O-N 2.83Å; I525-A530 WeakPolarHBondContact O-CA 3.42Å; I525-A530 WeakPolarHBondContact O-CB 3.4Å; I525-A530 PolarHBondContact O-N 3.32Å
526F38.7Very low49.1Very low150 Ų15084.8 Ų84.866%0.65850%0.495SS*.Iπ-helixtrans-64.1-40.5177.4-121.3-100.2000113.3A522 I523 T531A522-F526 VanDerWaalsContact O-CB 3.26Å; A522-F526 WeakPolarHBondContact O-CB 3.43Å; A522-F526 PolarHBondContact O-N 2.8Å; I523-F526 CarbonylContact O-C 3.59Å; I523-F526 PolarHBondContact O-N 2.82Å; I523-F526 VanDerWaalsContact O-N 3.11Å; F526-T531 VanDerWaalsContact O-CG2 3.26Å; F526-T531 WeakPolarHBondContact O-CG2 3.25Å; F526-T531 PolarHBondContact O-N 2.59Å; F526-T531 PolarHBondContact O-OG1 2.97Å; F526-T531 VanDerWaalsContact O-OG1 3.05Å
527Y38.9Very low47.6Very low179 Ų17982.8 Ų82.870%0.70249%0.493SS*.Iπ-helixtrans-105.5-21.2-170.8-75.7-93000114.3I523 I525 T531I523-Y527 HydrophobicContact CG2-CD2 3.87Å; I523-Y527 HydrophobicContact CG2-CE2 4.3Å; I523-Y527 WeakPolarHBondContact O-CB 3.49Å; I523-Y527 WeakPolarHBondContact O-CD2 3.34Å; I523-Y527 PolarHBondContact O-N 3.02Å; I525-Y527 PolarHBondContact O-N 2.86Å; Y527-T531 WeakPolarHBondContact CA-OG1 3.41Å; Y527-T531 PolarHBondContact O-OG1 3.18Å
528G37.3Very low45.9Very low43 Ų4381.7 Ų81.744%0.44349%0.493SS..Iπ-helixtrans-104.5-48.8-177.300000113.8E524 A532E524-G528 WeakPolarHBondContact O-CA 3.31Å; E524-G528 PolarHBondContact O-N 3.14Å; G528-A532 VanDerWaalsContact O-CB 3.22Å; G528-A532 WeakPolarHBondContact O-CB 3.22Å
529D38.2Very low44.3Very low110 Ų11079.5 Ų79.559%0.58850%0.495SS*.Iπ-helixtrans-100.7-42.8-177.8-83.2-41.2000114E524 I525 A532 A533E524-D529 PolarHBondContact O-N 3.5Å; I525-D529 PolarHBondContact O-N 2.83Å; D529-A532 PolarHBondContact O-N 3.08Å; D529-A533 VanDerWaalsContact O-CB 3.3Å; D529-A533 WeakPolarHBondContact O-CB 3.44Å; D529-A533 PolarHBondContact O-N 3.42Å
530A34.5Very low42.9Very low37 Ų3779.7 Ų79.731%0.30650%0.497SS..Iπ-helixtrans-74.7-47.2-176.800000111.7I525 A532 A534 A535I525-A530 WeakPolarHBondContact O-CA 3.42Å; I525-A530 WeakPolarHBondContact O-CB 3.4Å; I525-A530 PolarHBondContact O-N 3.32Å; A530-A532 PolarHBondContact O-N 2.92Å; A530-A532 VanDerWaalsContact O-N 3.16Å; A530-A534 CarbonylContact O-C 3.58Å; A530-A534 WeakPolarHBondContact O-CA 3.48Å; A530-A534 WeakPolarHBondContact O-CB 3.45Å; A530-A534 PolarHBondContact O-N 3.12Å; A530-A535 PolarHBondContact O-N 3.31Å
531T34.9Very low41.2Very low83 Ų8380.3 Ų80.351%0.50951%0.508SS..Iπ-helixtrans-71.70.4171.544.30000114.3F526 Y527 A535F526-T531 VanDerWaalsContact O-CG2 3.26Å; F526-T531 WeakPolarHBondContact O-CG2 3.25Å; F526-T531 PolarHBondContact O-N 2.59Å; F526-T531 PolarHBondContact O-OG1 2.97Å; F526-T531 VanDerWaalsContact O-OG1 3.05Å; Y527-T531 WeakPolarHBondContact CA-OG1 3.41Å; Y527-T531 PolarHBondContact O-OG1 3.18Å; T531-A535 WeakPolarHBondContact O-CB 3.47Å
532A36Very low40Very low56 Ų5677.6 Ų77.646%0.46350%0.503SS..Iπ-helixtrans-103.4-61.3168.200000111.2G528 D529 A530 A536G528-A532 VanDerWaalsContact O-CB 3.22Å; G528-A532 WeakPolarHBondContact O-CB 3.22Å; D529-A532 PolarHBondContact O-N 3.08Å; A530-A532 PolarHBondContact O-N 2.92Å; A530-A532 VanDerWaalsContact O-N 3.16Å; A532-A536 WeakPolarHBondContact O-CB 3.5Å; A532-A536 PolarHBondContact O-N 3.16Å
533A36.5Very low39Very low67 Ų6778.1 Ų78.155%0.55450%0.504SS*.Iπ-helixtrans-80.6-42.9-176.200000113.4D529 A536 A537D529-A533 VanDerWaalsContact O-CB 3.3Å; D529-A533 WeakPolarHBondContact O-CB 3.44Å; D529-A533 PolarHBondContact O-N 3.42Å; A533-A536 PolarHBondContact O-N 2.81Å; A533-A537 WeakPolarHBondContact O-CB 3.46Å; A533-A537 PolarHBondContact O-N 3.02Å
534A36.6Very low38.4Very low56 Ų5681.5 Ų81.546%0.46352%0.518SS..Iπ-helixtrans-80.1-25.3176.300000112.3A530 A537 A538A530-A534 CarbonylContact O-C 3.58Å; A530-A534 WeakPolarHBondContact O-CA 3.48Å; A530-A534 WeakPolarHBondContact O-CB 3.45Å; A530-A534 PolarHBondContact O-N 3.12Å; A534-A537 PolarHBondContact O-N 3.09Å; A534-A538 WeakPolarHBondContact O-CB 3.43Å; A534-A538 PolarHBondContact O-N 2.94Å
535A37.8Very low37.8Very low44 Ų4481.6 Ų81.636%0.36452%0.522SS..Hα-helixtrans-70.5-37.8164.300000111.9A530 T531 A537 A539A530-A535 PolarHBondContact O-N 3.31Å; T531-A535 WeakPolarHBondContact O-CB 3.47Å; A535-A537 VanDerWaalsContact C-N 3.33Å; A535-A539 WeakPolarHBondContact O-CB 3.48Å; A535-A539 PolarHBondContact O-N 2.75Å
536A38.4Very low37.4Very low62 Ų6280.3 Ų80.351%0.51252%0.518SS..Hα-helixtrans-64.7-36.1170.200000112.1A532 A533 A540A532-A536 WeakPolarHBondContact O-CB 3.5Å; A532-A536 PolarHBondContact O-N 3.16Å; A533-A536 PolarHBondContact O-N 2.81Å; A536-A540 VanDerWaalsContact O-CB 3.23Å; A536-A540 WeakPolarHBondContact O-CB 3.43Å; A536-A540 PolarHBondContact O-N 3.41Å
537A36.3Very low37.9Very low61 Ų6175.6 Ų75.650%0.50450%0.504SS..Hα-helixtrans-75.9-34.3176.700000113.5A533 A534 A535 A540 A541A533-A537 WeakPolarHBondContact O-CB 3.46Å; A533-A537 PolarHBondContact O-N 3.02Å; A534-A537 PolarHBondContact O-N 3.09Å; A535-A537 VanDerWaalsContact C-N 3.33Å; A537-A540 CarbonylContact O-C 3.57Å; A537-A540 VanDerWaalsContact O-C 3.22Å; A537-A540 WeakPolarHBondContact O-CA 3.49Å; A537-A540 WeakPolarHBondContact O-CB 3.25Å; A537-A540 PolarHBondContact O-N 2.76Å; A537-A541 PolarHBondContact O-N 2.86Å; A537-A541 VanDerWaalsContact O-N 3.17Å
538A37Very low39.1Very low61 Ų6169.7 Ų69.750%0.50449%0.489SS..Hα-helixtrans-78.1-35174.700000112A534 A540 A541A534-A538 WeakPolarHBondContact O-CB 3.43Å; A534-A538 PolarHBondContact O-N 2.94Å; A538-A540 PolarHBondContact O-N 2.82Å; A538-A541 CarbonylContact O-C 3.6Å; A538-A541 WeakPolarHBondContact O-CA 3.33Å; A538-A541 PolarHBondContact O-N 2.76Å
539A38.3Very low40.1Very low73 Ų7372.7 Ų72.760%0.60349%0.494SS*.Hα-helixtrans-65-22.6163.200000111.7A535 A541A535-A539 WeakPolarHBondContact O-CB 3.48Å; A535-A539 PolarHBondContact O-N 2.75Å; A539-A541 VanDerWaalsContact C-N 3.29Å
540A35.5Very low41.4Very low46 Ų4671.5 Ų71.538%0.3849%0.487SS..THydrogen-bonded Turntrans-84.98.1166.300000114.3A536 A537 A538 S543A536-A540 VanDerWaalsContact O-CB 3.23Å; A536-A540 WeakPolarHBondContact O-CB 3.43Å; A536-A540 PolarHBondContact O-N 3.41Å; A537-A540 CarbonylContact O-C 3.57Å; A537-A540 VanDerWaalsContact O-C 3.22Å; A537-A540 WeakPolarHBondContact O-CA 3.49Å; A537-A540 WeakPolarHBondContact O-CB 3.25Å; A537-A540 PolarHBondContact O-N 2.76Å; A538-A540 PolarHBondContact O-N 2.82Å; A540-S543 WeakPolarHBondContact O-CB 3.46Å; A540-S543 PolarHBondContact O-N 2.69Å; A540-S543 PolarHBondContact O-OG 3.28Å
541A28.8Very low43.3Very low78 Ų7873.1 Ų73.165%0.64549%0.491SS*.THydrogen-bonded Turntrans-136.560.8171.300000109.1A537 A538 A539A537-A541 PolarHBondContact O-N 2.86Å; A537-A541 VanDerWaalsContact O-N 3.17Å; A538-A541 CarbonylContact O-C 3.6Å; A538-A541 WeakPolarHBondContact O-CA 3.33Å; A538-A541 PolarHBondContact O-N 2.76Å; A539-A541 VanDerWaalsContact C-N 3.29Å
542P39.5Very low45Very low67 Ų6774 Ų7444%0.43549%0.492SS..THydrogen-bonded Turn-124.275.36435.9-25.5000114.7Q544 D545 V546P542-Q544 PolarHBondContact O-N 2.69Å; P542-D545 HydrophobicContact CB-CB 4.42Å; P542-D545 PolarHBondContact O-N 3.37Å; P542-V546 HydrophobicContact CG-CG2 4.04Å; P542-V546 VanDerWaalsContact O-CB 3.31Å; P542-V546 WeakPolarHBondContact O-CB 3.47Å; P542-V546 WeakPolarHBondContact O-CG2 3.42Å; P542-V546 PolarHBondContact O-N 3.49Å
543S38.2Very low46.7Very low61 Ų6175.1 Ų75.143%0.42749%0.49SS..Hα-helixtrans-60-33.3173.151.80000112.8A540 S547A540-S543 WeakPolarHBondContact O-CB 3.46Å; A540-S543 PolarHBondContact O-N 2.69Å; A540-S543 PolarHBondContact O-OG 3.28Å; S543-S547 WeakPolarHBondContact O-CA 3.31Å; S543-S547 WeakPolarHBondContact O-CB 3.37Å; S543-S547 PolarHBondContact O-N 3.29Å
544Q42.9Very low48.7Very low167 Ų16778.2 Ų78.278%0.7849%0.487SS*.Hα-helixtrans-73.7-36.5-174.7-151.616613.300111.8P542 S548P542-Q544 PolarHBondContact O-N 2.69Å; Q544-S548 WeakPolarHBondContact O-CB 3.18Å; Q544-S548 PolarHBondContact O-N 3.07Å; Q544-S548 PolarHBondContact O-OG 3.42Å
545D39Very low50.7Low118 Ų11878 Ų7863%0.63149%0.485SS*.Hα-helixtrans-85.2-29.7174.9-67.2-39.7000113.4P542 S548 L549P542-D545 HydrophobicContact CB-CB 4.42Å; P542-D545 PolarHBondContact O-N 3.37Å; D545-S548 WeakPolarHBondContact CA-OG 3.4Å; D545-S548 PolarHBondContact O-OG 3.45Å; D545-S548 VanDerWaalsContact O-OG 3.12Å; D545-L549 WeakPolarHBondContact O-CB 3.27Å; D545-L549 PolarHBondContact O-N 3.18Å
546V42.6Very low52.6Low67 Ų6781.7 Ų81.741%0.40649%0.493SS..Hα-helixtrans-78.7-32.9173.7175.30000111.4P542 L550P542-V546 HydrophobicContact CG-CG2 4.04Å; P542-V546 VanDerWaalsContact O-CB 3.31Å; P542-V546 WeakPolarHBondContact O-CB 3.47Å; P542-V546 WeakPolarHBondContact O-CG2 3.42Å; P542-V546 PolarHBondContact O-N 3.49Å; V546-L550 HydrophobicContact CG1-CD1 4Å; V546-L550 HydrophobicContact CG1-CG 4.44Å; V546-L550 VanDerWaalsContact O-CB 3.24Å; V546-L550 WeakPolarHBondContact O-CB 3.42Å; V546-L550 WeakPolarHBondContact O-CG 3.3Å; V546-L550 PolarHBondContact O-N 3.38Å
547S49.6Very low54.5Low51 Ų5183.2 Ų83.236%0.35749%0.493SS..Hα-helixtrans-70.9-43.3167.3-159.50000110.4S543 L549 L550 D551S543-S547 WeakPolarHBondContact O-CA 3.31Å; S543-S547 WeakPolarHBondContact O-CB 3.37Å; S543-S547 PolarHBondContact O-N 3.29Å; S547-L549 VanDerWaalsContact C-N 3.27Å; S547-L549 PolarHBondContact O-N 2.87Å; S547-L550 CarbonylContact O-C 3.52Å; S547-L550 PolarHBondContact O-N 3.06Å; S547-D551 WeakPolarHBondContact O-CB 3.32Å; S547-D551 PolarHBondContact O-N 2.93Å; S547-D551 PolarHBondContact OG-OD2 2.78Å
548S62.2Low56.7Low56 Ų5685.3 Ų85.339%0.39249%0.492SS..Hα-helixtrans-61.2-37.6175.476.30000111.6Q544 D545 D551 D552Q544-S548 WeakPolarHBondContact O-CB 3.18Å; Q544-S548 PolarHBondContact O-N 3.07Å; Q544-S548 PolarHBondContact O-OG 3.42Å; D545-S548 WeakPolarHBondContact CA-OG 3.4Å; D545-S548 PolarHBondContact O-OG 3.45Å; D545-S548 VanDerWaalsContact O-OG 3.12Å; S548-D551 PolarHBondContact O-N 2.91Å; S548-D552 VanDerWaalsContact O-CB 3.24Å; S548-D552 WeakPolarHBondContact O-CB 3.47Å; S548-D552 PolarHBondContact O-N 2.99Å
549L59.9Low58.8Low105 Ų10587.7 Ų87.755%0.5549%0.493SS..Hα-helixtrans-69.6-39.6173.6-166.372.8000112.7D545 S547 I553D545-L549 WeakPolarHBondContact O-CB 3.27Å; D545-L549 PolarHBondContact O-N 3.18Å; S547-L549 VanDerWaalsContact C-N 3.27Å; S547-L549 PolarHBondContact O-N 2.87Å; L549-I553 HydrophobicContact CG-CD1 4.21Å; L549-I553 WeakPolarHBondContact O-CB 3.29Å; L549-I553 WeakPolarHBondContact O-CD1 3.34Å; L549-I553 WeakPolarHBondContact O-CG1 3.41Å; L549-I553 PolarHBondContact O-N 3.3Å
550L65.6Low60.6Low86 Ų8688.2 Ų88.245%0.4548%0.484SS..Hα-helixtrans-71.6-29.1175.2-77169.7000112.9V546 S547 R554V546-L550 HydrophobicContact CG1-CD1 4Å; V546-L550 HydrophobicContact CG1-CG 4.44Å; V546-L550 VanDerWaalsContact O-CB 3.24Å; V546-L550 WeakPolarHBondContact O-CB 3.42Å; V546-L550 WeakPolarHBondContact O-CG 3.3Å; V546-L550 PolarHBondContact O-N 3.38Å; S547-L550 CarbonylContact O-C 3.52Å; S547-L550 PolarHBondContact O-N 3.06Å; L550-R554 WeakPolarHBondContact O-CB 3.31Å; L550-R554 VanDerWaalsContact O-CG 3.3Å; L550-R554 WeakPolarHBondContact O-CG 3.49Å; L550-R554 PolarHBondContact O-N 2.86Å
551D73.1Confident62.6Low71 Ų7188.2 Ų88.238%0.3848%0.484SS..Hα-helixtrans-82.2-33.1175.9-68.9-42.5000111.3S547 S548 R554 A555S547-D551 WeakPolarHBondContact O-CB 3.32Å; S547-D551 PolarHBondContact O-N 2.93Å; S547-D551 PolarHBondContact OG-OD2 2.78Å; S548-D551 PolarHBondContact O-N 2.91Å; D551-R554 PolarHBondContact O-N 2.79Å; D551-R554 IonicContact OD1-CZ 2.71Å; D551-R554 VanDerWaalsContact OD1-CZ 3.26Å; D551-R554 IonicContact OD1-NE 3.3Å; D551-R554 PolarHBondContact OD1-NE 3.36Å; D551-R554 IonicContact OD1-NH2 3.43Å; D551-R554 PolarHBondContact OD1-NH2 3.46Å; D551-R554 IonicContact OD2-NH2 2.69Å; D551-A555 WeakPolarHBondContact O-CB 3.41Å; D551-A555 PolarHBondContact O-N 3.23Å
552D71.3Confident65.1Low100 Ų10091.5 Ų91.554%0.53548%0.48SS..Hα-helixtrans-65-42.9164.1-97.93.3000110.6S548 A555 K556S548-D552 VanDerWaalsContact O-CB 3.24Å; S548-D552 WeakPolarHBondContact O-CB 3.47Å; S548-D552 PolarHBondContact O-N 2.99Å; D552-A555 CarbonylContact O-C 3.55Å; D552-A555 PolarHBondContact O-N 2.89Å; D552-K556 VanDerWaalsContact O-CB 3.29Å; D552-K556 WeakPolarHBondContact O-CB 3.49Å; D552-K556 WeakPolarHBondContact O-CG 3.48Å; D552-K556 PolarHBondContact O-N 3.32Å
553I71.7Confident66.9Low80 Ų8092.4 Ų92.441%0.4148%0.481SS..Hα-helixtrans-62.1-46.9173.8-73.4163000110L549 A555 K556 D557L549-I553 HydrophobicContact CG-CD1 4.21Å; L549-I553 WeakPolarHBondContact O-CB 3.29Å; L549-I553 WeakPolarHBondContact O-CD1 3.34Å; L549-I553 WeakPolarHBondContact O-CG1 3.41Å; L549-I553 PolarHBondContact O-N 3.3Å; I553-A555 VanDerWaalsContact C-N 3.31Å; I553-A555 PolarHBondContact O-N 2.78Å; I553-K556 WeakPolarHBondContact O-CB 3.39Å; I553-K556 PolarHBondContact O-N 3.37Å; I553-D557 WeakPolarHBondContact O-CB 3.38Å; I553-D557 PolarHBondContact O-N 3.13Å
554R77.5Confident68.8Low132 Ų13295 Ų9550%0.49849%0.486SS..Hα-helixtrans-62.4-35.7174.2-78.5-173.5-77.1-126.93112.7L550 D551 Q558L550-R554 WeakPolarHBondContact O-CB 3.31Å; L550-R554 VanDerWaalsContact O-CG 3.3Å; L550-R554 WeakPolarHBondContact O-CG 3.49Å; L550-R554 PolarHBondContact O-N 2.86Å; D551-R554 PolarHBondContact O-N 2.79Å; D551-R554 IonicContact OD1-CZ 2.71Å; D551-R554 VanDerWaalsContact OD1-CZ 3.26Å; D551-R554 IonicContact OD1-NE 3.3Å; D551-R554 PolarHBondContact OD1-NE 3.36Å; D551-R554 IonicContact OD1-NH2 3.43Å; D551-R554 PolarHBondContact OD1-NH2 3.46Å; D551-R554 IonicContact OD2-NH2 2.69Å; R554-Q558 WeakPolarHBondContact O-CB 3.41Å; R554-Q558 VanDerWaalsContact O-CG 3.26Å; R554-Q558 WeakPolarHBondContact O-CG 3.48Å; R554-Q558 PolarHBondContact O-N 2.8Å
555A79.1Confident70.5Confident52 Ų5293.6 Ų93.643%0.4348%0.48SS..Hα-helixtrans-70.7-37.7175.400000111.7D551 D552 I553 Q559D551-A555 WeakPolarHBondContact O-CB 3.41Å; D551-A555 PolarHBondContact O-N 3.23Å; D552-A555 CarbonylContact O-C 3.55Å; D552-A555 PolarHBondContact O-N 2.89Å; I553-A555 VanDerWaalsContact C-N 3.31Å; I553-A555 PolarHBondContact O-N 2.78Å; A555-Q559 WeakPolarHBondContact O-CB 3.21Å; A555-Q559 PolarHBondContact O-N 2.73Å
556K78.4Confident72.4Confident122 Ų12292.1 Ų92.153%0.5347%0.469SS..Hα-helixtrans-66.4-44173.3-67.2-93.8-178.2171.90110.9D552 I553 Q559 I560D552-K556 VanDerWaalsContact O-CB 3.29Å; D552-K556 WeakPolarHBondContact O-CB 3.49Å; D552-K556 WeakPolarHBondContact O-CG 3.48Å; D552-K556 PolarHBondContact O-N 3.32Å; I553-K556 WeakPolarHBondContact O-CB 3.39Å; I553-K556 PolarHBondContact O-N 3.37Å; K556-Q559 CarbonylContact O-C 3.39Å; K556-Q559 WeakPolarHBondContact O-CB 3.44Å; K556-Q559 PolarHBondContact O-N 2.92Å; K556-Q559 VanDerWaalsContact O-N 3.16Å; K556-I560 WeakPolarHBondContact O-CB 3.14Å; K556-I560 VanDerWaalsContact O-CG1 3.22Å; K556-I560 WeakPolarHBondContact O-CG1 3.17Å; K556-I560 PolarHBondContact O-N 2.87Å
557D78.9Confident74Confident93 Ų9391.3 Ų91.350%0.49747%0.47SS..Hα-helixtrans-66.3-41.4176.5-73.5-19.6000111.2I553 Q559 I560 A561I553-D557 WeakPolarHBondContact O-CB 3.38Å; I553-D557 PolarHBondContact O-N 3.13Å; D557-Q559 VanDerWaalsContact C-N 3.32Å; D557-Q559 PolarHBondContact O-N 3.33Å; D557-I560 PolarHBondContact O-N 2.86Å; D557-A561 WeakPolarHBondContact O-CB 3.21Å; D557-A561 PolarHBondContact O-N 2.8Å
558Q81.7Confident75.4Confident105 Ų10593.6 Ų93.649%0.49148%0.475SS..Hα-helixtrans-64.6-35.1170.2-75.2-178.835.900112.4R554 R562R554-Q558 WeakPolarHBondContact O-CB 3.41Å; R554-Q558 VanDerWaalsContact O-CG 3.26Å; R554-Q558 WeakPolarHBondContact O-CG 3.48Å; R554-Q558 PolarHBondContact O-N 2.8Å; Q558-R562 WeakPolarHBondContact O-CB 3.32Å; Q558-R562 VanDerWaalsContact O-CG 3.24Å; Q558-R562 WeakPolarHBondContact O-CG 3.37Å; Q558-R562 PolarHBondContact O-N 2.75Å
559Q81.2Confident76.4Confident111 Ų11196.4 Ų96.452%0.51948%0.481SS..Hα-helixtrans-69.5-39.8174.9-173.3178.225.800111.2A555 K556 D557 R562 L563A555-Q559 WeakPolarHBondContact O-CB 3.21Å; A555-Q559 PolarHBondContact O-N 2.73Å; K556-Q559 CarbonylContact O-C 3.39Å; K556-Q559 WeakPolarHBondContact O-CB 3.44Å; K556-Q559 PolarHBondContact O-N 2.92Å; K556-Q559 VanDerWaalsContact O-N 3.16Å; D557-Q559 VanDerWaalsContact C-N 3.32Å; D557-Q559 PolarHBondContact O-N 3.33Å; Q559-R562 PolarHBondContact O-N 3.2Å; Q559-L563 HydrophobicContact CG-CD1 4.04Å; Q559-L563 HydrophobicContact CG-CG 4.48Å; Q559-L563 VanDerWaalsContact O-CB 3.29Å; Q559-L563 WeakPolarHBondContact O-CB 3.45Å; Q559-L563 WeakPolarHBondContact O-CG 3.46Å; Q559-L563 PolarHBondContact O-N 3.45Å
560I76.5Confident77.4Confident84 Ų8498.1 Ų98.143%0.43148%0.481SS..Hα-helixtrans-65.9-44.5174.9-71.4162.2000109.9K556 D557 L563 Q564K556-I560 WeakPolarHBondContact O-CB 3.14Å; K556-I560 VanDerWaalsContact O-CG1 3.22Å; K556-I560 WeakPolarHBondContact O-CG1 3.17Å; K556-I560 PolarHBondContact O-N 2.87Å; D557-I560 PolarHBondContact O-N 2.86Å; I560-L563 CarbonylContact O-C 3.56Å; I560-L563 PolarHBondContact O-N 3.45Å; I560-Q564 HydrophobicContact CG2-CG 4.48Å; I560-Q564 WeakPolarHBondContact O-CB 3.3Å; I560-Q564 VanDerWaalsContact O-CG 3.31Å; I560-Q564 WeakPolarHBondContact O-CG 3.35Å; I560-Q564 PolarHBondContact O-N 3.08Å
561A77.4Confident78Confident46 Ų46100.1 Ų100.138%0.3849%0.488SS..Hα-helixtrans-59.9-46.6174.400000111.5D557 L563 Q564 E565D557-A561 WeakPolarHBondContact O-CB 3.21Å; D557-A561 PolarHBondContact O-N 2.8Å; A561-L563 PolarHBondContact O-N 3.3Å; A561-Q564 PolarHBondContact O-N 3.47Å; A561-E565 PolarHBondContact O-N 2.66Å
562R80.8Confident78.4Confident147 Ų147103.5 Ų103.556%0.55550%0.495SS*.Hα-helixtrans-63.9-37.8174.4-72.6174.4-161.9161.712.3112.7Q558 Q559 Q564 E565 E566Q558-R562 WeakPolarHBondContact O-CB 3.32Å; Q558-R562 VanDerWaalsContact O-CG 3.24Å; Q558-R562 WeakPolarHBondContact O-CG 3.37Å; Q558-R562 PolarHBondContact O-N 2.75Å; Q559-R562 PolarHBondContact O-N 3.2Å; R562-Q564 VanDerWaalsContact C-N 3.34Å; R562-E565 PolarHBondContact O-N 2.86Å; R562-E566 WeakPolarHBondContact O-CB 3.23Å; R562-E566 WeakPolarHBondContact O-CG 3.31Å; R562-E566 PolarHBondContact O-N 2.78Å
563L78.2Confident78.9Confident86 Ų86102.6 Ų102.645%0.4549%0.493SS..Hα-helixtrans-70-30.9175.5-75.4169.6000112Q559 I560 A561 A567Q559-L563 HydrophobicContact CG-CD1 4.04Å; Q559-L563 HydrophobicContact CG-CG 4.48Å; Q559-L563 VanDerWaalsContact O-CB 3.29Å; Q559-L563 WeakPolarHBondContact O-CB 3.45Å; Q559-L563 WeakPolarHBondContact O-CG 3.46Å; Q559-L563 PolarHBondContact O-N 3.45Å; I560-L563 CarbonylContact O-C 3.56Å; I560-L563 PolarHBondContact O-N 3.45Å; A561-L563 PolarHBondContact O-N 3.3Å; L563-A567 WeakPolarHBondContact O-CB 3.28Å; L563-A567 PolarHBondContact O-N 3.47Å
564Q77.6Confident79.2Confident115 Ų115104.2 Ų104.254%0.53750%0.502SS..Hα-helixtrans-72.6-41.8171.6-74.8176.5-1.400111.6I560 A561 R562 A567 Q568I560-Q564 HydrophobicContact CG2-CG 4.48Å; I560-Q564 WeakPolarHBondContact O-CB 3.3Å; I560-Q564 VanDerWaalsContact O-CG 3.31Å; I560-Q564 WeakPolarHBondContact O-CG 3.35Å; I560-Q564 PolarHBondContact O-N 3.08Å; A561-Q564 PolarHBondContact O-N 3.47Å; R562-Q564 VanDerWaalsContact C-N 3.34Å; Q564-A567 PolarHBondContact O-N 3.28Å; Q564-Q568 WeakPolarHBondContact O-CG 3.38Å; Q564-Q568 PolarHBondContact O-N 3.45Å
565E78.6Confident79.5Confident139 Ų139103.1 Ų103.165%0.6551%0.506SS*.Hα-helixtrans-61.3-47.5170.1-75.8-168.8127.100111A561 R562 A567 Q568 Q569A561-E565 PolarHBondContact O-N 2.66Å; R562-E565 PolarHBondContact O-N 2.86Å; E565-A567 VanDerWaalsContact C-N 3.3Å; E565-A567 PolarHBondContact O-N 3.17Å; E565-Q568 PolarHBondContact O-N 3.37Å; E565-Q569 WeakPolarHBondContact O-CB 3.17Å; E565-Q569 PolarHBondContact O-N 2.89Å
566E79.5Confident79.6Confident86 Ų86106.1 Ų106.140%0.40251%0.514SS..Hα-helixtrans-60.1-37.7174.3-79.3-172.5-166.300112.4R562 R570R562-E566 WeakPolarHBondContact O-CB 3.23Å; R562-E566 WeakPolarHBondContact O-CG 3.31Å; R562-E566 PolarHBondContact O-N 2.78Å; E566-R570 VanDerWaalsContact O-CB 3.27Å; E566-R570 WeakPolarHBondContact O-CB 3.47Å; E566-R570 WeakPolarHBondContact O-CG 3.2Å; E566-R570 PolarHBondContact O-N 3.46Å; E566-R570 IonicContact OE2-CZ 3.57Å; E566-R570 IonicContact OE2-NH1 2.65Å; E566-R570 PolarHBondContact OE2-NH1 3.34Å; E566-R570 IonicContact OE2-NH2 3.7Å; E566-R570 PolarHBondContact OE2-NH2 3.22Å
567A74.8Confident79.7Confident51 Ų51103.1 Ų103.142%0.42150%0.502SS..Hα-helixtrans-66.4-48.6176.500000111.2L563 Q564 E565 Q569 R570 E571L563-A567 WeakPolarHBondContact O-CB 3.28Å; L563-A567 PolarHBondContact O-N 3.47Å; Q564-A567 PolarHBondContact O-N 3.28Å; E565-A567 VanDerWaalsContact C-N 3.3Å; E565-A567 PolarHBondContact O-N 3.17Å; A567-Q569 VanDerWaalsContact C-N 3.31Å; A567-Q569 PolarHBondContact O-N 2.89Å; A567-R570 PolarHBondContact O-N 3.42Å; A567-E571 VanDerWaalsContact O-CB 3.31Å; A567-E571 WeakPolarHBondContact O-CB 3.35Å; A567-E571 PolarHBondContact O-N 3.08Å
568Q79.6Confident79.8Confident98 Ų98102.1 Ų102.146%0.45850%0.5SS..Hα-helixtrans-64.1-35.8175.5-70.2-179.421.700112.2Q564 E565 E571 R572Q564-Q568 WeakPolarHBondContact O-CG 3.38Å; Q564-Q568 PolarHBondContact O-N 3.45Å; E565-Q568 PolarHBondContact O-N 3.37Å; Q568-E571 PolarHBondContact O-N 2.85Å; Q568-R572 WeakPolarHBondContact O-CB 3.41Å; Q568-R572 VanDerWaalsContact O-CG 3.28Å; Q568-R572 WeakPolarHBondContact O-CG 3.3Å; Q568-R572 PolarHBondContact O-N 2.96Å
569Q82.1Confident79.8Confident115 Ų115100.3 Ų100.354%0.53750%0.499SS..Hα-helixtrans-68.5-42.8176.3-163.178.2-13.600110.8E565 A567 T573E565-Q569 WeakPolarHBondContact O-CB 3.17Å; E565-Q569 PolarHBondContact O-N 2.89Å; A567-Q569 VanDerWaalsContact C-N 3.31Å; A567-Q569 PolarHBondContact O-N 2.89Å; Q569-T573 WeakPolarHBondContact O-CB 3.36Å; Q569-T573 PolarHBondContact O-N 3.28Å; Q569-T573 PolarHBondContact O-OG1 3.04Å
570R82.2Confident80Confident142 Ų142101.8 Ų101.854%0.53650%0.5SS..Hα-helixtrans-63.9-42.1172.5-76.1171.2-175.6121.912.1111.6E566 A567 T573 L574E566-R570 VanDerWaalsContact O-CB 3.27Å; E566-R570 WeakPolarHBondContact O-CB 3.47Å; E566-R570 WeakPolarHBondContact O-CG 3.2Å; E566-R570 PolarHBondContact O-N 3.46Å; E566-R570 IonicContact OE2-CZ 3.57Å; E566-R570 IonicContact OE2-NH1 2.65Å; E566-R570 PolarHBondContact OE2-NH1 3.34Å; E566-R570 IonicContact OE2-NH2 3.7Å; E566-R570 PolarHBondContact OE2-NH2 3.22Å; A567-R570 PolarHBondContact O-N 3.42Å; R570-T573 PolarHBondContact O-N 2.98Å; R570-L574 WeakPolarHBondContact O-CB 3.41Å; R570-L574 VanDerWaalsContact O-CG 3.29Å; R570-L574 WeakPolarHBondContact O-CG 3.41Å; R570-L574 PolarHBondContact O-N 2.71Å
571E78.4Confident80.3Confident127 Ų127102.4 Ų102.459%0.59350%0.501SS*.Hα-helixtrans-63.2-46.6177.5-175173.1-146.200111.5A567 Q568 L574 L575A567-E571 VanDerWaalsContact O-CB 3.31Å; A567-E571 WeakPolarHBondContact O-CB 3.35Å; A567-E571 PolarHBondContact O-N 3.08Å; Q568-E571 PolarHBondContact O-N 2.85Å; E571-L574 PolarHBondContact O-N 3.45Å; E571-L575 WeakPolarHBondContact O-CB 3.35Å; E571-L575 PolarHBondContact O-N 3.08Å
572R80.8Confident80.5Confident143 Ų143104.4 Ų104.454%0.5451%0.505SS..Hα-helixtrans-58.8-46.9171.3-73.6173.3-172.8156.26.5111.9Q568 L574 L575 D576Q568-R572 WeakPolarHBondContact O-CB 3.41Å; Q568-R572 VanDerWaalsContact O-CG 3.28Å; Q568-R572 WeakPolarHBondContact O-CG 3.3Å; Q568-R572 PolarHBondContact O-N 2.96Å; R572-L574 VanDerWaalsContact C-N 3.28Å; R572-L574 PolarHBondContact O-N 2.92Å; R572-L575 WeakPolarHBondContact O-CB 3.42Å; R572-L575 PolarHBondContact O-N 3.32Å; R572-L575 VanDerWaalsContact O-N 3.08Å; R572-D576 PolarHBondContact O-N 2.92Å
573T81.4Confident80.6Confident81 Ų81100.1 Ų100.150%0.49750%0.501SS..Hα-helixtrans-61.3-38.1178.4-51.50000111.3Q569 R570 E577Q569-T573 WeakPolarHBondContact O-CB 3.36Å; Q569-T573 PolarHBondContact O-N 3.28Å; Q569-T573 PolarHBondContact O-OG1 3.04Å; R570-T573 PolarHBondContact O-N 2.98Å; T573-E577 WeakPolarHBondContact O-CB 3.19Å; T573-E577 PolarHBondContact O-N 2.81Å
574L79.2Confident80.9Confident113 Ų11399.5 Ų99.559%0.59250%0.498SS*.Hα-helixtrans-69.8-35174.2-75.1167.6000112.4R570 E571 R572 T578R570-L574 WeakPolarHBondContact O-CB 3.41Å; R570-L574 VanDerWaalsContact O-CG 3.29Å; R570-L574 WeakPolarHBondContact O-CG 3.41Å; R570-L574 PolarHBondContact O-N 2.71Å; E571-L574 PolarHBondContact O-N 3.45Å; R572-L574 VanDerWaalsContact C-N 3.28Å; R572-L574 PolarHBondContact O-N 2.92Å; L574-T578 WeakPolarHBondContact O-CB 3.29Å; L574-T578 PolarHBondContact O-N 3.23Å; L574-T578 PolarHBondContact O-OG1 3.11Å
575L82.8Confident81.2Confident110 Ų11097.5 Ų97.558%0.57649%0.491SS*.Hα-helixtrans-66.7-44.4174.3-114.5160000111.7E571 R572 S579E571-L575 WeakPolarHBondContact O-CB 3.35Å; E571-L575 PolarHBondContact O-N 3.08Å; R572-L575 WeakPolarHBondContact O-CB 3.42Å; R572-L575 PolarHBondContact O-N 3.32Å; R572-L575 VanDerWaalsContact O-N 3.08Å; L575-S579 VanDerWaalsContact O-CB 3.31Å; L575-S579 WeakPolarHBondContact O-CB 3.28Å; L575-S579 PolarHBondContact O-N 3Å; L575-S579 PolarHBondContact O-OG 3.38Å
576D81.5Confident81.4Confident114 Ų11497 Ų9761%0.6149%0.488SS*.Hα-helixtrans-66.4-44.6175.2-70.1-26.3000111.2R572 S579 R580R572-D576 PolarHBondContact O-N 2.92Å; D576-S579 PolarHBondContact O-N 3.48Å; D576-R580 WeakPolarHBondContact O-CB 3.48Å; D576-R580 PolarHBondContact O-N 3.04Å
577E79.8Confident81.7Confident59 Ų5997 Ų9728%0.27649%0.491SS..Hα-helixtrans-63.1-42.5176-176.962.2-134.800111.5T573 S579 R580 Q581T573-E577 WeakPolarHBondContact O-CB 3.19Å; T573-E577 PolarHBondContact O-N 2.81Å; E577-S579 VanDerWaalsContact C-N 3.34Å; E577-R580 PolarHBondContact O-N 3.44Å; E577-R580 IonicContact OE1-CZ 2.64Å; E577-R580 IonicContact OE1-NE 2.68Å; E577-R580 IonicContact OE1-NH2 3.19Å; E577-R580 PolarHBondContact OE1-NH2 3.42Å; E577-R580 IonicContact OE2-CZ 2.67Å; E577-R580 IonicContact OE2-NE 3.16Å; E577-R580 IonicContact OE2-NH2 3.17Å; E577-R580 PolarHBondContact OE2-NH2 3.02Å; E577-Q581 WeakPolarHBondContact O-CB 3.45Å; E577-Q581 VanDerWaalsContact O-CG 3.28Å; E577-Q581 WeakPolarHBondContact O-CG 3.44Å; E577-Q581 PolarHBondContact O-N 3.11Å; E577-Q581 PolarHBondContact OE1-NE2 3.24Å
578T82Confident82Confident72 Ų7298.9 Ų98.944%0.44249%0.493SS..Hα-helixtrans-65.3-38.6174.5-58.50000111.2L574 Q581 N582L574-T578 WeakPolarHBondContact O-CB 3.29Å; L574-T578 PolarHBondContact O-N 3.23Å; L574-T578 PolarHBondContact O-OG1 3.11Å; T578-Q581 PolarHBondContact O-N 3.14Å; T578-N582 WeakPolarHBondContact O-CB 3.13Å; T578-N582 VanDerWaalsContact O-CG 3.32Å; T578-N582 PolarHBondContact O-N 2.97Å; T578-N582 PolarHBondContact O-ND2 2.83Å
579S80.4Confident82.2Confident67 Ų67101.1 Ų101.147%0.46950%0.497SS..Hα-helixtrans-66-42.4176.2-60.40000111.5L575 D576 E577 N582 A583L575-S579 VanDerWaalsContact O-CB 3.31Å; L575-S579 WeakPolarHBondContact O-CB 3.28Å; L575-S579 PolarHBondContact O-N 3Å; L575-S579 PolarHBondContact O-OG 3.38Å; D576-S579 PolarHBondContact O-N 3.48Å; E577-S579 VanDerWaalsContact C-N 3.34Å; S579-N582 PolarHBondContact O-N 3.09Å; S579-A583 PolarHBondContact O-N 2.93Å
580R85.6Confident82.2Confident143 Ų14398.4 Ų98.454%0.5450%0.495SS..Hα-helixtrans-62.3-49.8173-174.2-179.371.4168.72.5111.3D576 E577 N582 A583 D584D576-R580 WeakPolarHBondContact O-CB 3.48Å; D576-R580 PolarHBondContact O-N 3.04Å; E577-R580 PolarHBondContact O-N 3.44Å; E577-R580 IonicContact OE1-CZ 2.64Å; E577-R580 IonicContact OE1-NE 2.68Å; E577-R580 IonicContact OE1-NH2 3.19Å; E577-R580 PolarHBondContact OE1-NH2 3.42Å; E577-R580 IonicContact OE2-CZ 2.67Å; E577-R580 IonicContact OE2-NE 3.16Å; E577-R580 IonicContact OE2-NH2 3.17Å; E577-R580 PolarHBondContact OE2-NH2 3.02Å; R580-N582 VanDerWaalsContact C-N 3.26Å; R580-N582 PolarHBondContact O-N 2.82Å; R580-A583 PolarHBondContact O-N 3.44Å; R580-A583 VanDerWaalsContact O-N 3.1Å; R580-D584 PolarHBondContact O-N 3.48Å
581Q82.8Confident82.4Confident97 Ų9796.9 Ų96.945%0.45349%0.492SS..Hα-helixtrans-62.3-32.6178.1-73.1178.720.900112.3E577 T578 N585E577-Q581 WeakPolarHBondContact O-CB 3.45Å; E577-Q581 VanDerWaalsContact O-CG 3.28Å; E577-Q581 WeakPolarHBondContact O-CG 3.44Å; E577-Q581 PolarHBondContact O-N 3.11Å; E577-Q581 PolarHBondContact OE1-NE2 3.24Å; T578-Q581 PolarHBondContact O-N 3.14Å; Q581-N585 WeakPolarHBondContact O-CB 3.48Å; Q581-N585 PolarHBondContact O-N 3.09Å; Q581-N585 PolarHBondContact O-ND2 2.73Å
582N82Confident82.6Confident88 Ų8894.1 Ų94.147%0.47148%0.484SS..Hα-helixtrans-67.4-44.6171.8-79.6-35.1000112T578 S579 R580 N585 E586T578-N582 WeakPolarHBondContact O-CB 3.13Å; T578-N582 VanDerWaalsContact O-CG 3.32Å; T578-N582 PolarHBondContact O-N 2.97Å; T578-N582 PolarHBondContact O-ND2 2.83Å; S579-N582 PolarHBondContact O-N 3.09Å; R580-N582 VanDerWaalsContact C-N 3.26Å; R580-N582 PolarHBondContact O-N 2.82Å; N582-N585 PolarHBondContact O-N 3.24Å; N582-E586 PolarHBondContact O-N 3.44Å
583A82.5Confident82.7Confident56 Ų5690.7 Ų90.746%0.46348%0.482SS..Hα-helixtrans-63.1-41.7175.200000112.5S579 R580 E586 L587S579-A583 PolarHBondContact O-N 2.93Å; R580-A583 PolarHBondContact O-N 3.44Å; R580-A583 VanDerWaalsContact O-N 3.1Å; A583-E586 PolarHBondContact O-N 3.13Å; A583-L587 WeakPolarHBondContact O-CB 3.32Å; A583-L587 PolarHBondContact O-N 3.43Å
584D85Confident82.7Confident74 Ų7489.1 Ų89.140%0.39648%0.477SS..Hα-helixtrans-65.8-38.9174.3-76-37.3000111.5R580 L587 L588R580-D584 PolarHBondContact O-N 3.48Å; D584-L587 PolarHBondContact O-N 3.41Å; D584-L588 VanDerWaalsContact O-CB 3.27Å; D584-L588 WeakPolarHBondContact O-CB 3.29Å; D584-L588 WeakPolarHBondContact O-CG 3.34Å; D584-L588 PolarHBondContact O-N 2.81Å
585N83.7Confident82.9Confident72 Ų7289.4 Ų89.439%0.38548%0.479SS..Hα-helixtrans-65.9-36.5173.3-86.8-64.4000112.6Q581 N582 L588 R589Q581-N585 WeakPolarHBondContact O-CB 3.48Å; Q581-N585 PolarHBondContact O-N 3.09Å; Q581-N585 PolarHBondContact O-ND2 2.73Å; N582-N585 PolarHBondContact O-N 3.24Å; N585-L588 PolarHBondContact O-N 2.86Å; N585-R589 WeakPolarHBondContact O-CB 3.46Å; N585-R589 VanDerWaalsContact O-CG 3.31Å; N585-R589 WeakPolarHBondContact O-CG 3.1Å; N585-R589 PolarHBondContact O-N 3.34Å
586E83.6Confident82.8Confident129 Ų12990 Ų9060%0.60348%0.479SS*.Hα-helixtrans-69.3-42.1173.2-74.9-172165.200112N582 A583 L588 R589 A590N582-E586 PolarHBondContact O-N 3.44Å; A583-E586 PolarHBondContact O-N 3.13Å; E586-L588 VanDerWaalsContact C-N 3.31Å; E586-L588 PolarHBondContact O-N 2.91Å; E586-R589 PolarHBondContact O-N 3.44Å; E586-A590 WeakPolarHBondContact O-CB 3.29Å; E586-A590 PolarHBondContact O-N 2.73Å
587L85Confident82.8Confident86 Ų8689.5 Ų89.545%0.4548%0.475SS..Hα-helixtrans-61.5-39172.7-177.463.9000111.7A583 D584 A590 K591A583-L587 WeakPolarHBondContact O-CB 3.32Å; A583-L587 PolarHBondContact O-N 3.43Å; D584-L587 PolarHBondContact O-N 3.41Å; L587-A590 PolarHBondContact O-N 3.35Å; L587-K591 HydrophobicContact CG-CD 4.36Å; L587-K591 WeakPolarHBondContact O-CB 3.44Å; L587-K591 VanDerWaalsContact O-CG 3.27Å; L587-K591 WeakPolarHBondContact O-CG 3.11Å; L587-K591 PolarHBondContact O-N 3.16Å
588L82.2Confident83Confident91 Ų9190.7 Ų90.748%0.47648%0.483SS..Hα-helixtrans-68.8-42.4174.4-76.6167.6000111.8D584 N585 E586 A590 K591 V592D584-L588 VanDerWaalsContact O-CB 3.27Å; D584-L588 WeakPolarHBondContact O-CB 3.29Å; D584-L588 WeakPolarHBondContact O-CG 3.34Å; D584-L588 PolarHBondContact O-N 2.81Å; N585-L588 PolarHBondContact O-N 2.86Å; E586-L588 VanDerWaalsContact C-N 3.31Å; E586-L588 PolarHBondContact O-N 2.91Å; L588-A590 VanDerWaalsContact C-N 3.31Å; L588-A590 PolarHBondContact O-N 2.81Å; L588-K591 PolarHBondContact O-N 3.48Å; L588-V592 WeakPolarHBondContact O-CB 3.46Å; L588-V592 VanDerWaalsContact O-CG2 3.27Å; L588-V592 WeakPolarHBondContact O-CG2 3.3Å; L588-V592 PolarHBondContact O-N 2.8Å
589R83.5Confident82.9Confident144 Ų14492.1 Ų92.154%0.54349%0.488SS..Hα-helixtrans-60-40.9171.8-74.6179.6-151.1121.65.7111.7N585 E586 S593N585-R589 WeakPolarHBondContact O-CB 3.46Å; N585-R589 VanDerWaalsContact O-CG 3.31Å; N585-R589 WeakPolarHBondContact O-CG 3.1Å; N585-R589 PolarHBondContact O-N 3.34Å; E586-R589 PolarHBondContact O-N 3.44Å; R589-S593 VanDerWaalsContact O-CB 3.31Å; R589-S593 WeakPolarHBondContact O-CB 3.39Å; R589-S593 PolarHBondContact O-N 3.4Å; R589-S593 PolarHBondContact O-OG 3.25Å
590A81.7Confident82.8Confident59 Ų5991.7 Ų91.749%0.48849%0.488SS..Hα-helixtrans-64.3-46.2175.600000111.9E586 L587 L588 S593 A594E586-A590 WeakPolarHBondContact O-CB 3.29Å; E586-A590 PolarHBondContact O-N 2.73Å; L587-A590 PolarHBondContact O-N 3.35Å; L588-A590 VanDerWaalsContact C-N 3.31Å; L588-A590 PolarHBondContact O-N 2.81Å; A590-S593 PolarHBondContact O-N 2.69Å; A590-A594 WeakPolarHBondContact O-CB 3.13Å; A590-A594 PolarHBondContact O-N 2.87Å
591K85.8Confident82.7Confident109 Ų10990.2 Ų90.247%0.47449%0.486SS..Hα-helixtrans-61.5-45.1174.3-74.9171.3179.8174.10112.2L587 L588 S593 A594 L595L587-K591 HydrophobicContact CG-CD 4.36Å; L587-K591 WeakPolarHBondContact O-CB 3.44Å; L587-K591 VanDerWaalsContact O-CG 3.27Å; L587-K591 WeakPolarHBondContact O-CG 3.11Å; L587-K591 PolarHBondContact O-N 3.16Å; L588-K591 PolarHBondContact O-N 3.48Å; K591-S593 VanDerWaalsContact C-N 3.34Å; K591-S593 PolarHBondContact O-N 2.75Å; K591-A594 PolarHBondContact O-N 3.33Å; K591-L595 WeakPolarHBondContact O-CB 3.45Å; K591-L595 VanDerWaalsContact O-CG 3.29Å; K591-L595 WeakPolarHBondContact O-CG 3.4Å; K591-L595 PolarHBondContact O-N 3.33Å
592V83.3Confident82.6Confident69 Ų6987.4 Ų87.442%0.41848%0.483SS..Hα-helixtrans-63.4-40.4176.7168.70000110.9L588 L595 Q596L588-V592 WeakPolarHBondContact O-CB 3.46Å; L588-V592 VanDerWaalsContact O-CG2 3.27Å; L588-V592 WeakPolarHBondContact O-CG2 3.3Å; L588-V592 PolarHBondContact O-N 2.8Å; V592-L595 PolarHBondContact O-N 3.16Å; V592-Q596 HydrophobicContact CG1-CG 4.38Å; V592-Q596 WeakPolarHBondContact O-CB 3.38Å; V592-Q596 VanDerWaalsContact O-CG 3.26Å; V592-Q596 WeakPolarHBondContact O-CG 3.42Å; V592-Q596 PolarHBondContact O-N 3.02Å
593S82Confident82.5Confident72 Ų7289.1 Ų89.150%0.50349%0.486SS..Hα-helixtrans-64.9-40.6175.8-57.40000111.9R589 A590 K591 Q596 L597R589-S593 VanDerWaalsContact O-CB 3.31Å; R589-S593 WeakPolarHBondContact O-CB 3.39Å; R589-S593 PolarHBondContact O-N 3.4Å; R589-S593 PolarHBondContact O-OG 3.25Å; A590-S593 PolarHBondContact O-N 2.69Å; K591-S593 VanDerWaalsContact C-N 3.34Å; K591-S593 PolarHBondContact O-N 2.75Å; S593-Q596 PolarHBondContact O-N 3Å; S593-L597 WeakPolarHBondContact O-CB 3.39Å; S593-L597 PolarHBondContact O-N 3.46Å
594A81.9Confident82.3Confident47 Ų4789.7 Ų89.739%0.38849%0.486SS..Hα-helixtrans-65-45.2173.600000111.9A590 K591 Q596 L597 D598A590-A594 WeakPolarHBondContact O-CB 3.13Å; A590-A594 PolarHBondContact O-N 2.87Å; K591-A594 PolarHBondContact O-N 3.33Å; A594-Q596 PolarHBondContact O-N 3.25Å; A594-L597 WeakPolarHBondContact O-CB 3.31Å; A594-L597 PolarHBondContact O-N 3.45Å; A594-D598 WeakPolarHBondContact O-CB 3.41Å; A594-D598 PolarHBondContact O-N 2.75Å
595L82.9Confident82.3Confident120 Ų12095 Ų9563%0.62850%0.501SS*.Hα-helixtrans-64.6-35.8176.4-72.6169.9000112.5K591 V592 L599K591-L595 WeakPolarHBondContact O-CB 3.45Å; K591-L595 VanDerWaalsContact O-CG 3.29Å; K591-L595 WeakPolarHBondContact O-CG 3.4Å; K591-L595 PolarHBondContact O-N 3.33Å; V592-L595 PolarHBondContact O-N 3.16Å; L595-L599 WeakPolarHBondContact O-CB 3.36Å; L595-L599 PolarHBondContact O-N 3.14Å
596Q81.4Confident82.1Confident123 Ų12396.7 Ų96.758%0.57551%0.51SS*.Hα-helixtrans-66.8-41.1172.5-76.2176.23.300111.7V592 S593 A594 L599 A600V592-Q596 HydrophobicContact CG1-CG 4.38Å; V592-Q596 WeakPolarHBondContact O-CB 3.38Å; V592-Q596 VanDerWaalsContact O-CG 3.26Å; V592-Q596 WeakPolarHBondContact O-CG 3.42Å; V592-Q596 PolarHBondContact O-N 3.02Å; S593-Q596 PolarHBondContact O-N 3Å; A594-Q596 PolarHBondContact O-N 3.25Å; Q596-L599 PolarHBondContact O-N 3.46Å; Q596-A600 WeakPolarHBondContact O-CB 3.41Å; Q596-A600 PolarHBondContact O-N 3.1Å
597L82.4Confident81.8Confident102 Ų10296.6 Ų96.653%0.53451%0.509SS..Hα-helixtrans-64.2-42.5175-178.168.2000111.7S593 A594 A600 K601S593-L597 WeakPolarHBondContact O-CB 3.39Å; S593-L597 PolarHBondContact O-N 3.46Å; A594-L597 WeakPolarHBondContact O-CB 3.31Å; A594-L597 PolarHBondContact O-N 3.45Å; L597-A600 PolarHBondContact O-N 2.77Å; L597-K601 WeakPolarHBondContact O-CG 3.22Å; L597-K601 PolarHBondContact O-N 3.04Å
598D82.6Confident81.6Confident84 Ų8495.8 Ų95.845%0.44951%0.511SS..Hα-helixtrans-75.4-31178.9-71.9-19.5000112.5A594 A600 K601 G602A594-D598 WeakPolarHBondContact O-CB 3.41Å; A594-D598 PolarHBondContact O-N 2.75Å; D598-A600 VanDerWaalsContact C-N 3.35Å; D598-K601 PolarHBondContact O-N 3.46Å; D598-K601 WeakPolarHBondContact OD1-CD 3.23Å; D598-K601 WeakPolarHBondContact OD1-CE 3.13Å; D598-K601 IonicContact OD1-NZ 3.29Å; D598-K601 PolarHBondContact OD1-NZ 3.02Å; D598-G602 PolarHBondContact O-N 3.38Å
599L80.2Confident81.5Confident103 Ų10395.6 Ų95.654%0.53951%0.509SS..Hα-helixtrans-64.3-38.5167.2-178.566.2000111.4L595 Q596 G602 K603L595-L599 WeakPolarHBondContact O-CB 3.36Å; L595-L599 PolarHBondContact O-N 3.14Å; Q596-L599 PolarHBondContact O-N 3.46Å; L599-G602 PolarHBondContact O-N 2.94Å; L599-K603 WeakPolarHBondContact O-CB 3.33Å; L599-K603 WeakPolarHBondContact O-CG 3.46Å; L599-K603 PolarHBondContact O-N 2.76Å
600A78.6Confident81.4Confident57 Ų5793.7 Ų93.747%0.47151%0.507SS..Hα-helixtrans-66.9-44.3175.600000112Q596 L597 D598 G602 K603 S604Q596-A600 WeakPolarHBondContact O-CB 3.41Å; Q596-A600 PolarHBondContact O-N 3.1Å; L597-A600 PolarHBondContact O-N 2.77Å; D598-A600 VanDerWaalsContact C-N 3.35Å; A600-G602 VanDerWaalsContact C-N 3.31Å; A600-G602 PolarHBondContact O-N 3.43Å; A600-K603 PolarHBondContact O-N 3.36Å; A600-S604 PolarHBondContact O-N 3.4Å; A600-S604 PolarHBondContact O-OG 3.24Å
601K82.8Confident81.3Confident112 Ų11297 Ų9749%0.48751%0.512SS..Hα-helixtrans-60.4-40.6170.2-66.5169-165.1154.70111.8L597 D598 S604 R605L597-K601 WeakPolarHBondContact O-CG 3.22Å; L597-K601 PolarHBondContact O-N 3.04Å; D598-K601 PolarHBondContact O-N 3.46Å; D598-K601 WeakPolarHBondContact OD1-CD 3.23Å; D598-K601 WeakPolarHBondContact OD1-CE 3.13Å; D598-K601 IonicContact OD1-NZ 3.29Å; D598-K601 PolarHBondContact OD1-NZ 3.02Å; K601-S604 PolarHBondContact O-OG 2.88Å; K601-R605 VanDerWaalsContact O-CB 3.25Å; K601-R605 WeakPolarHBondContact O-CB 3.18Å; K601-R605 PolarHBondContact O-N 2.78Å
602G80.7Confident81.1Confident38 Ų3895.5 Ų95.539%0.39251%0.509SS..Hα-helixtrans-62.1-45.5177.700000111.8D598 L599 A600 R605 L606D598-G602 PolarHBondContact O-N 3.38Å; L599-G602 PolarHBondContact O-N 2.94Å; A600-G602 VanDerWaalsContact C-N 3.31Å; A600-G602 PolarHBondContact O-N 3.43Å; G602-R605 PolarHBondContact O-N 3.38Å; G602-L606 VanDerWaalsContact O-CB 3.26Å; G602-L606 WeakPolarHBondContact O-CB 3.2Å; G602-L606 PolarHBondContact O-N 3.12Å
603K80.1Confident80.9Confident124 Ų12496.6 Ų96.654%0.53951%0.511SS..Hα-helixtrans-62.6-50.5175.4-77.3-179.7177-175.80112.4L599 A600 R605 L606 E607L599-K603 WeakPolarHBondContact O-CB 3.33Å; L599-K603 WeakPolarHBondContact O-CG 3.46Å; L599-K603 PolarHBondContact O-N 2.76Å; A600-K603 PolarHBondContact O-N 3.36Å; K603-R605 VanDerWaalsContact C-N 3.29Å; K603-R605 PolarHBondContact O-N 2.79Å; K603-L606 CarbonylContact O-C 3.34Å; K603-L606 PolarHBondContact O-N 2.78Å; K603-E607 WeakPolarHBondContact O-CG 3.39Å; K603-E607 PolarHBondContact O-N 3.36Å
604S79.4Confident80.8Confident68 Ų6897.3 Ų97.348%0.47651%0.509SS..Hα-helixtrans-64.8-33.9179.765.90000112.6A600 K601 S608A600-S604 PolarHBondContact O-N 3.4Å; A600-S604 PolarHBondContact O-OG 3.24Å; K601-S604 PolarHBondContact O-OG 2.88Å; S604-S608 VanDerWaalsContact O-CB 3.28Å; S604-S608 WeakPolarHBondContact O-CB 3.22Å; S604-S608 PolarHBondContact O-N 3.03Å
605R84.5Confident80.8Confident186 Ų18699.3 Ų99.370%0.70251%0.513SS*.Hα-helixtrans-67.2-38.3170.9-173.5174-179.1174.4-0.4112.3K601 G602 K603 S608 L609K601-R605 VanDerWaalsContact O-CB 3.25Å; K601-R605 WeakPolarHBondContact O-CB 3.18Å; K601-R605 PolarHBondContact O-N 2.78Å; G602-R605 PolarHBondContact O-N 3.38Å; K603-R605 VanDerWaalsContact C-N 3.29Å; K603-R605 PolarHBondContact O-N 2.79Å; R605-S608 PolarHBondContact O-N 3.4Å; R605-L609 HydrophobicContact CG-CD1 4.2Å; R605-L609 WeakPolarHBondContact O-CB 3.41Å; R605-L609 VanDerWaalsContact O-CG 3.26Å; R605-L609 WeakPolarHBondContact O-CG 3.45Å; R605-L609 PolarHBondContact O-N 3.3Å
606L79.4Confident80.7Confident108 Ų10897.8 Ų97.857%0.56551%0.506SS*.Hα-helixtrans-70.4-41.4177.6-167.3152.7000111.3G602 K603 L609 Q610G602-L606 VanDerWaalsContact O-CB 3.26Å; G602-L606 WeakPolarHBondContact O-CB 3.2Å; G602-L606 PolarHBondContact O-N 3.12Å; K603-L606 CarbonylContact O-C 3.34Å; K603-L606 PolarHBondContact O-N 2.78Å; L606-L609 PolarHBondContact O-N 3.05Å; L606-Q610 VanDerWaalsContact O-CB 3.29Å; L606-Q610 WeakPolarHBondContact O-CB 3.38Å; L606-Q610 PolarHBondContact O-N 2.78Å
607E78.3Confident80.7Confident127 Ų12798.9 Ų98.959%0.59351%0.509SS*.Hα-helixtrans-59.8-45.2171.5-71.6167.5169.300111.3K603 Q610 Q611K603-E607 WeakPolarHBondContact O-CG 3.39Å; K603-E607 PolarHBondContact O-N 3.36Å; E607-Q610 WeakPolarHBondContact O-CB 3.24Å; E607-Q610 PolarHBondContact O-N 2.72Å; E607-Q611 PolarHBondContact O-N 2.88Å
608S79.2Confident80.6Confident69 Ų6997 Ų9748%0.48350%0.504SS..Hα-helixtrans-61.2-44.4175.5-171.10000112.2S604 R605 Q611 I612S604-S608 VanDerWaalsContact O-CB 3.28Å; S604-S608 WeakPolarHBondContact O-CB 3.22Å; S604-S608 PolarHBondContact O-N 3.03Å; R605-S608 PolarHBondContact O-N 3.4Å; S608-Q611 PolarHBondContact O-N 3.04Å; S608-I612 WeakPolarHBondContact O-CG1 3.42Å; S608-I612 PolarHBondContact O-N 3.4Å
609L80.8Confident80.5Confident86 Ų8698.8 Ų98.845%0.4551%0.51SS..Hα-helixtrans-65.9-38.5174.3-74.1168.4000112.5R605 L606 Q611 I612 I613R605-L609 HydrophobicContact CG-CD1 4.2Å; R605-L609 WeakPolarHBondContact O-CB 3.41Å; R605-L609 VanDerWaalsContact O-CG 3.26Å; R605-L609 WeakPolarHBondContact O-CG 3.45Å; R605-L609 PolarHBondContact O-N 3.3Å; L606-L609 PolarHBondContact O-N 3.05Å; L609-Q611 VanDerWaalsContact C-N 3.28Å; L609-Q611 PolarHBondContact O-N 2.96Å; L609-I612 PolarHBondContact O-N 3.23Å; L609-I613 WeakPolarHBondContact O-CB 3.21Å; L609-I613 VanDerWaalsContact O-CG1 3.25Å; L609-I613 WeakPolarHBondContact O-CG1 3.47Å; L609-I613 PolarHBondContact O-N 2.91Å
610Q80.9Confident80.4Confident104 Ų10498.3 Ų98.349%0.48651%0.507SS..Hα-helixtrans-62-38.5175.5-164.579.512.200110.9L606 E607 N614L606-Q610 VanDerWaalsContact O-CB 3.29Å; L606-Q610 WeakPolarHBondContact O-CB 3.38Å; L606-Q610 PolarHBondContact O-N 2.78Å; E607-Q610 WeakPolarHBondContact O-CB 3.24Å; E607-Q610 PolarHBondContact O-N 2.72Å; Q610-N614 WeakPolarHBondContact O-CB 3.5Å; Q610-N614 VanDerWaalsContact O-CG 3.32Å; Q610-N614 PolarHBondContact O-N 3.45Å; Q610-N614 PolarHBondContact O-ND2 3.39Å
611Q79.5Confident80.4Confident130 Ų13098.1 Ų98.161%0.60750%0.503SS*.Hα-helixtrans-72-39.6176.9-168.1165.54.300112.2E607 S608 L609 N614 N615E607-Q611 PolarHBondContact O-N 2.88Å; S608-Q611 PolarHBondContact O-N 3.04Å; L609-Q611 VanDerWaalsContact C-N 3.28Å; L609-Q611 PolarHBondContact O-N 2.96Å; Q611-N614 PolarHBondContact O-N 3.07Å; Q611-N615 VanDerWaalsContact O-CG 3.25Å; Q611-N615 PolarHBondContact O-N 3.31Å; Q611-N615 PolarHBondContact O-OD1 3.11Å
612I82.4Confident80.2Confident77 Ų7795.4 Ų95.440%0.39550%0.495SS..Hα-helixtrans-59.4-51.9170.1-68.1163.6000110.2S608 L609 N614 N615 D616S608-I612 WeakPolarHBondContact O-CG1 3.42Å; S608-I612 PolarHBondContact O-N 3.4Å; L609-I612 PolarHBondContact O-N 3.23Å; I612-N614 PolarHBondContact O-N 3.41Å; I612-N615 CarbonylContact O-C 3.5Å; I612-N615 WeakPolarHBondContact O-CA 3.47Å; I612-N615 WeakPolarHBondContact O-CB 2.97Å; I612-N615 PolarHBondContact O-N 3.48Å; I612-D616 VanDerWaalsContact O-CG 3.23Å; I612-D616 PolarHBondContact O-N 3.14Å
613I79.5Confident80Confident91 Ų9198.4 Ų98.447%0.46750%0.502SS..Hα-helixtrans-58.1-36.5178.9-70.8165000111.9L609 K617L609-I613 WeakPolarHBondContact O-CB 3.21Å; L609-I613 VanDerWaalsContact O-CG1 3.25Å; L609-I613 WeakPolarHBondContact O-CG1 3.47Å; L609-I613 PolarHBondContact O-N 2.91Å; I613-K617 WeakPolarHBondContact O-CB 3.46Å; I613-K617 PolarHBondContact O-N 3.39Å
614N78.9Confident80Confident88 Ų8899 Ų9947%0.47151%0.505SS..Hα-helixtrans-69.5-40174.7-78.6-28.3000112.4Q610 Q611 I612 S618Q610-N614 WeakPolarHBondContact O-CB 3.5Å; Q610-N614 VanDerWaalsContact O-CG 3.32Å; Q610-N614 PolarHBondContact O-N 3.45Å; Q610-N614 PolarHBondContact O-ND2 3.39Å; Q611-N614 PolarHBondContact O-N 3.07Å; I612-N614 PolarHBondContact O-N 3.41Å; N614-S618 PolarHBondContact O-N 3.26Å
615N81.9Confident79.9Confident88 Ų88102.3 Ų102.347%0.47151%0.506SS..Hα-helixtrans-62.2-54.1173.2-67.6-10000110.7Q611 I612 K617 S618 E619Q611-N615 VanDerWaalsContact O-CG 3.25Å; Q611-N615 PolarHBondContact O-N 3.31Å; Q611-N615 PolarHBondContact O-OD1 3.11Å; I612-N615 CarbonylContact O-C 3.5Å; I612-N615 WeakPolarHBondContact O-CA 3.47Å; I612-N615 WeakPolarHBondContact O-CB 2.97Å; I612-N615 PolarHBondContact O-N 3.48Å; N615-K617 VanDerWaalsContact C-N 3.26Å; N615-K617 PolarHBondContact O-N 3.38Å; N615-S618 CarbonylContact O-C 3.59Å; N615-S618 WeakPolarHBondContact O-CA 2.94Å; N615-S618 WeakPolarHBondContact O-CB 3.49Å; N615-S618 PolarHBondContact O-N 3.49Å; N615-S618 PolarHBondContact O-OG 3.41Å; N615-E619 PolarHBondContact O-N 3.23Å
616D82.1Confident79.7Confident88 Ų8898 Ų9847%0.47149%0.494SS..Hα-helixtrans-54.7-42.1178.3-63.1-3.8000111.5I612 S618 E619 L620I612-D616 VanDerWaalsContact O-CG 3.23Å; I612-D616 PolarHBondContact O-N 3.14Å; D616-S618 VanDerWaalsContact C-N 3.32Å; D616-S618 PolarHBondContact O-N 3.24Å; D616-E619 PolarHBondContact O-N 2.81Å; D616-L620 WeakPolarHBondContact O-CB 3.29Å; D616-L620 PolarHBondContact O-N 3.38Å
617K81Confident79.6Confident146 Ų146100.4 Ų100.464%0.63550%0.496SS*.Hα-helixtrans-68.7-30.6176.7-171.1175.3-175.41790112.2I613 N615 S621I613-K617 WeakPolarHBondContact O-CB 3.46Å; I613-K617 PolarHBondContact O-N 3.39Å; N615-K617 VanDerWaalsContact C-N 3.26Å; N615-K617 PolarHBondContact O-N 3.38Å; K617-S621 PolarHBondContact O-N 2.92Å
618S79.5Confident79.6Confident63 Ų6398.7 Ų98.744%0.44149%0.488SS..Hα-helixtrans-71.7-45.417283.60000111.5N614 N615 D616 S621 V622N614-S618 PolarHBondContact O-N 3.26Å; N615-S618 CarbonylContact O-C 3.59Å; N615-S618 WeakPolarHBondContact O-CA 2.94Å; N615-S618 WeakPolarHBondContact O-CB 3.49Å; N615-S618 PolarHBondContact O-N 3.49Å; N615-S618 PolarHBondContact O-OG 3.41Å; D616-S618 VanDerWaalsContact C-N 3.32Å; D616-S618 PolarHBondContact O-N 3.24Å; S618-S621 WeakPolarHBondContact O-CA 3.28Å; S618-S621 WeakPolarHBondContact O-CB 3.49Å; S618-S621 PolarHBondContact O-N 3.39Å; S618-S621 VanDerWaalsContact O-N 3.07Å; S618-S621 PolarHBondContact O-OG 3.29Å; S618-V622 PolarHBondContact O-N 2.92Å; S618-V622 VanDerWaalsContact O-N 3.13Å
619E80.4Confident79.5Confident122 Ų122100.7 Ų100.757%0.5749%0.49SS*.Hα-helixtrans-62.7-45.3175.4-69.4-166.3166.500111.5N615 D616 S621 V622 L623N615-E619 PolarHBondContact O-N 3.23Å; D616-E619 PolarHBondContact O-N 2.81Å; E619-S621 PolarHBondContact O-N 3.21Å; E619-S621 VanDerWaalsContact O-N 3.17Å; E619-V622 CarbonylContact O-C 3.58Å; E619-V622 WeakPolarHBondContact O-CA 3.28Å; E619-V622 WeakPolarHBondContact O-CB 3.28Å; E619-V622 PolarHBondContact O-N 3.16Å; E619-L623 WeakPolarHBondContact O-CG 3.21Å; E619-L623 PolarHBondContact O-N 3.43Å
620L78.5Confident79.4Confident93 Ų93101.5 Ų101.549%0.48749%0.494SS..Hα-helixtrans-62.1-24.1174.9-165.9120.1000112.4D616 K624D616-L620 WeakPolarHBondContact O-CB 3.29Å; D616-L620 PolarHBondContact O-N 3.38Å; L620-K624 HydrophobicContact CD2-CD 4.18Å; L620-K624 VanDerWaalsContact O-CB 3.28Å; L620-K624 WeakPolarHBondContact O-CB 3.2Å; L620-K624 WeakPolarHBondContact O-CG 3.2Å; L620-K624 PolarHBondContact O-N 2.78Å; L620-K624 VanDerWaalsContact O-N 3.1Å
621S79Confident79.4Confident53 Ų5399.2 Ų99.237%0.37148%0.484SS..Hα-helixtrans-77.4-28.1170.889.70000113.3K617 S618 E619 R625K617-S621 PolarHBondContact O-N 2.92Å; S618-S621 WeakPolarHBondContact O-CA 3.28Å; S618-S621 WeakPolarHBondContact O-CB 3.49Å; S618-S621 PolarHBondContact O-N 3.39Å; S618-S621 VanDerWaalsContact O-N 3.07Å; S618-S621 PolarHBondContact O-OG 3.29Å; E619-S621 PolarHBondContact O-N 3.21Å; E619-S621 VanDerWaalsContact O-N 3.17Å; S621-R625 PolarHBondContact O-NH2 2.95Å; S621-R625 VanDerWaalsContact O-NH2 3.14Å; S621-R625 PolarHBondContact OG-NH2 3.23Å
622V77.9Confident79.2Confident55 Ų5597 Ų9733%0.33348%0.476SS..Hα-helixtrans-75.9-52.4172.6176.20000109.5S618 E619 K624 R625 E626S618-V622 PolarHBondContact O-N 2.92Å; S618-V622 VanDerWaalsContact O-N 3.13Å; E619-V622 CarbonylContact O-C 3.58Å; E619-V622 WeakPolarHBondContact O-CA 3.28Å; E619-V622 WeakPolarHBondContact O-CB 3.28Å; E619-V622 PolarHBondContact O-N 3.16Å; V622-K624 VanDerWaalsContact C-N 3.28Å; V622-K624 PolarHBondContact O-N 2.94Å; V622-R625 CarbonylContact O-C 3.43Å; V622-R625 VanDerWaalsContact O-CA 3.32Å; V622-R625 WeakPolarHBondContact O-CA 3.43Å; V622-R625 WeakPolarHBondContact O-CB 3.45Å; V622-R625 PolarHBondContact O-N 3.05Å; V622-E626 HydrophobicContact CG1-CG 4.33Å; V622-E626 PolarHBondContact O-N 3.28Å
623L77.6Confident79Confident100 Ų10099.6 Ų99.652%0.52449%0.485SS..Hα-helixtrans-58.2-35.3177.7-68.2170.1000112.6E619 R625 R627E619-L623 WeakPolarHBondContact O-CG 3.21Å; E619-L623 PolarHBondContact O-N 3.43Å; L623-R625 VanDerWaalsContact C-N 3.34Å; L623-R627 WeakPolarHBondContact O-CB 3.43Å; L623-R627 PolarHBondContact O-N 2.73Å
624K80Confident78.8Confident138 Ų13899.4 Ų99.460%0.648%0.484SS*.Hα-helixtrans-65.1-36170.7-83.2177.2176.4179.80112.8L620 V622 Q628L620-K624 HydrophobicContact CD2-CD 4.18Å; L620-K624 VanDerWaalsContact O-CB 3.28Å; L620-K624 WeakPolarHBondContact O-CB 3.2Å; L620-K624 WeakPolarHBondContact O-CG 3.2Å; L620-K624 PolarHBondContact O-N 2.78Å; L620-K624 VanDerWaalsContact O-N 3.1Å; V622-K624 VanDerWaalsContact C-N 3.28Å; V622-K624 PolarHBondContact O-N 2.94Å; K624-Q628 PolarHBondContact O-N 2.77Å
625R76.7Confident78.7Confident136 Ų13698.5 Ų98.551%0.51348%0.482SS..Hα-helixtrans-70.2-44.9177.3-134.2178-58.91205.3111.1S621 V622 L623 Q628 Q629S621-R625 PolarHBondContact O-NH2 2.95Å; S621-R625 VanDerWaalsContact O-NH2 3.14Å; S621-R625 PolarHBondContact OG-NH2 3.23Å; V622-R625 CarbonylContact O-C 3.43Å; V622-R625 VanDerWaalsContact O-CA 3.32Å; V622-R625 WeakPolarHBondContact O-CA 3.43Å; V622-R625 WeakPolarHBondContact O-CB 3.45Å; V622-R625 PolarHBondContact O-N 3.05Å; L623-R625 VanDerWaalsContact C-N 3.34Å; R625-Q628 PolarHBondContact O-N 2.8Å; R625-Q629 WeakPolarHBondContact O-CG 3.42Å; R625-Q629 PolarHBondContact O-N 2.81Å
626E79.3Confident78.3Confident95 Ų9599.8 Ų99.844%0.44449%0.485SS..Hα-helixtrans-65.3-43.5175.4-67.6177.116400111.6V622 Q628 Q629 L630V622-E626 HydrophobicContact CG1-CG 4.33Å; V622-E626 PolarHBondContact O-N 3.28Å; E626-Q628 VanDerWaalsContact C-N 3.29Å; E626-Q628 PolarHBondContact O-N 3.36Å; E626-Q629 PolarHBondContact O-N 2.79Å; E626-L630 WeakPolarHBondContact O-CB 3.34Å; E626-L630 WeakPolarHBondContact O-CG 3.48Å; E626-L630 PolarHBondContact O-N 3.29Å
627R79.1Confident77.8Confident160 Ų16098.5 Ų98.560%0.60448%0.483SS*.Hα-helixtrans-57.9-40.7172.4178.7177.9173-83.4-0.2111.7L623 L630 I631L623-R627 WeakPolarHBondContact O-CB 3.43Å; L623-R627 PolarHBondContact O-N 2.73Å; R627-L630 PolarHBondContact O-N 2.81Å; R627-I631 HydrophobicContact CG-CD1 4Å; R627-I631 VanDerWaalsContact O-CG1 3.3Å; R627-I631 WeakPolarHBondContact O-CG1 3.44Å; R627-I631 PolarHBondContact O-N 3.26Å
628Q77.4Confident77.5Confident90 Ų9096.9 Ų96.942%0.42148%0.477SS..Hα-helixtrans-65.1-49.2175.6-1686050.500110.9K624 R625 E626 L630 I631 D632K624-Q628 PolarHBondContact O-N 2.77Å; R625-Q628 PolarHBondContact O-N 2.8Å; E626-Q628 VanDerWaalsContact C-N 3.29Å; E626-Q628 PolarHBondContact O-N 3.36Å; Q628-L630 PolarHBondContact O-N 2.74Å; Q628-L630 VanDerWaalsContact O-N 3.15Å; Q628-I631 WeakPolarHBondContact O-CB 3.35Å; Q628-I631 PolarHBondContact O-N 2.76Å; Q628-D632 PolarHBondContact NE2-OD1 2.65Å; Q628-D632 PolarHBondContact O-N 3.28Å
629Q78.3Confident77.2Confident112 Ų112100 Ų10052%0.52349%0.485SS..Hα-helixtrans-58.7-28.1175.7-70.4176.50.800113.8R625 E626 K633R625-Q629 WeakPolarHBondContact O-CG 3.42Å; R625-Q629 PolarHBondContact O-N 2.81Å; E626-Q629 PolarHBondContact O-N 2.79Å; Q629-K633 WeakPolarHBondContact O-CB 3.32Å; Q629-K633 WeakPolarHBondContact O-CD 3.33Å; Q629-K633 VanDerWaalsContact O-CG 3.25Å; Q629-K633 WeakPolarHBondContact O-CG 3.43Å; Q629-K633 PolarHBondContact O-N 2.77Å
630L78.6Confident76.8Confident102 Ų102100.3 Ų100.353%0.53449%0.486SS..Hα-helixtrans-77.3-39.6172.8-73.4169.8000112.2E626 R627 Q628 K633 I634E626-L630 WeakPolarHBondContact O-CB 3.34Å; E626-L630 WeakPolarHBondContact O-CG 3.48Å; E626-L630 PolarHBondContact O-N 3.29Å; R627-L630 PolarHBondContact O-N 2.81Å; Q628-L630 PolarHBondContact O-N 2.74Å; Q628-L630 VanDerWaalsContact O-N 3.15Å; L630-K633 PolarHBondContact O-N 3.27Å; L630-I634 WeakPolarHBondContact O-CB 3.46Å; L630-I634 VanDerWaalsContact O-CG1 3.25Å; L630-I634 WeakPolarHBondContact O-CG1 3.43Å; L630-I634 PolarHBondContact O-N 2.82Å
631I79.6Confident76.2Confident57 Ų57101.2 Ų101.229%0.29249%0.491SS..Hα-helixtrans-61.5-46.7172.7-71.2164.3000110.4R627 Q628 K633 I634 T635R627-I631 HydrophobicContact CG-CD1 4Å; R627-I631 VanDerWaalsContact O-CG1 3.3Å; R627-I631 WeakPolarHBondContact O-CG1 3.44Å; R627-I631 PolarHBondContact O-N 3.26Å; Q628-I631 WeakPolarHBondContact O-CB 3.35Å; Q628-I631 PolarHBondContact O-N 2.76Å; I631-K633 PolarHBondContact O-N 2.75Å; I631-I634 PolarHBondContact O-N 2.83Å; I631-I634 VanDerWaalsContact O-N 3.08Å; I631-T635 PolarHBondContact O-N 3.45Å; I631-T635 PolarHBondContact O-OG1 3.29Å
632D75Confident75.7Confident82 Ų82104.8 Ų104.844%0.43950%0.502SS..Hα-helixtrans-62.6-30179.3-54.3-22.9000112Q628 T635 Q636Q628-D632 PolarHBondContact NE2-OD1 2.65Å; Q628-D632 PolarHBondContact O-N 3.28Å; D632-T635 PolarHBondContact O-OG1 2.87Å; D632-Q636 WeakPolarHBondContact O-CB 3.32Å; D632-Q636 PolarHBondContact O-N 2.83Å
633K78.8Confident75.2Confident132 Ų132107.1 Ų107.157%0.57451%0.513SS*.Hα-helixtrans-78.3-36.7172.2-79172.81801750113.1Q629 L630 I631 Q636 S637Q629-K633 WeakPolarHBondContact O-CB 3.32Å; Q629-K633 WeakPolarHBondContact O-CD 3.33Å; Q629-K633 VanDerWaalsContact O-CG 3.25Å; Q629-K633 WeakPolarHBondContact O-CG 3.43Å; Q629-K633 PolarHBondContact O-N 2.77Å; L630-K633 PolarHBondContact O-N 3.27Å; I631-K633 PolarHBondContact O-N 2.75Å; K633-Q636 PolarHBondContact O-N 3.39Å; K633-S637 WeakPolarHBondContact O-CB 3.29Å; K633-S637 PolarHBondContact O-N 3.26Å; K633-S637 PolarHBondContact O-OG 2.81Å
634I75.1Confident74.3Confident87 Ų87105 Ų10545%0.44651%0.51SS..Hα-helixtrans-64.4-50.9178.7-75164000109.3L630 I631 Q636 S637 E638L630-I634 WeakPolarHBondContact O-CB 3.46Å; L630-I634 VanDerWaalsContact O-CG1 3.25Å; L630-I634 WeakPolarHBondContact O-CG1 3.43Å; L630-I634 PolarHBondContact O-N 2.82Å; I631-I634 PolarHBondContact O-N 2.83Å; I631-I634 VanDerWaalsContact O-N 3.08Å; I634-Q636 VanDerWaalsContact C-N 3.32Å; I634-Q636 PolarHBondContact O-N 3.28Å; I634-S637 CarbonylContact O-C 3.54Å; I634-S637 WeakPolarHBondContact O-CA 3.26Å; I634-S637 WeakPolarHBondContact O-CB 3.34Å; I634-S637 PolarHBondContact O-N 2.96Å; I634-S637 PolarHBondContact O-OG 3.02Å; I634-E638 HydrophobicContact CG2-CG 4.23Å; I634-E638 WeakPolarHBondContact O-CG 3.49Å; I634-E638 PolarHBondContact O-N 3.26Å
635T76.6Confident73.3Confident70 Ų70103.6 Ų103.643%0.42951%0.508SS..Hα-helixtrans-59.4-41.5177.146.50000112.4I631 D632 S637 E638 E639I631-T635 PolarHBondContact O-N 3.45Å; I631-T635 PolarHBondContact O-OG1 3.29Å; D632-T635 PolarHBondContact O-OG1 2.87Å; T635-S637 VanDerWaalsContact C-N 3.26Å; T635-S637 PolarHBondContact O-N 3.43Å; T635-E638 PolarHBondContact O-N 2.78Å; T635-E639 PolarHBondContact O-N 2.78Å
636Q75Confident72.5Confident115 Ų115102.7 Ų102.754%0.53751%0.513SS..Hα-helixtrans-63.6-28.7173.8-177.8169.283.500113.3D632 K633 I634 Q640D632-Q636 WeakPolarHBondContact O-CB 3.32Å; D632-Q636 PolarHBondContact O-N 2.83Å; K633-Q636 PolarHBondContact O-N 3.39Å; I634-Q636 VanDerWaalsContact C-N 3.32Å; I634-Q636 PolarHBondContact O-N 3.28Å; Q636-Q640 WeakPolarHBondContact O-CG 3.39Å
637S70.2Confident71.3Confident60 Ų60102 Ų10242%0.4252%0.515SS..Hα-helixtrans-81.6-30.7173.174.60000113.1K633 I634 T635 Q640 L641K633-S637 WeakPolarHBondContact O-CB 3.29Å; K633-S637 PolarHBondContact O-N 3.26Å; K633-S637 PolarHBondContact O-OG 2.81Å; I634-S637 CarbonylContact O-C 3.54Å; I634-S637 WeakPolarHBondContact O-CA 3.26Å; I634-S637 WeakPolarHBondContact O-CB 3.34Å; I634-S637 PolarHBondContact O-N 2.96Å; I634-S637 PolarHBondContact O-OG 3.02Å; T635-S637 VanDerWaalsContact C-N 3.26Å; T635-S637 PolarHBondContact O-N 3.43Å; S637-Q640 PolarHBondContact O-N 3.22Å; S637-L641 WeakPolarHBondContact O-CB 3.41Å; S637-L641 PolarHBondContact O-N 3.47Å
638E75.8Confident70Confident112 Ų11297 Ų9752%0.52351%0.509SS..Hα-helixtrans-67.7-44.4174.7-71.8171.3146.900110.5I634 T635 Q640 L641 E642I634-E638 HydrophobicContact CG2-CG 4.23Å; I634-E638 WeakPolarHBondContact O-CG 3.49Å; I634-E638 PolarHBondContact O-N 3.26Å; T635-E638 PolarHBondContact O-N 2.78Å; E638-Q640 VanDerWaalsContact C-N 3.29Å; E638-Q640 PolarHBondContact O-N 3.24Å; E638-L641 PolarHBondContact O-N 3.45Å; E638-L641 VanDerWaalsContact O-N 3.13Å; E638-E642 WeakPolarHBondContact O-CB 3.46Å; E638-E642 PolarHBondContact O-N 2.94Å
639E72.7Confident68.8Low128 Ų12896.7 Ų96.760%0.59852%0.521SS*.Hα-helixtrans-56.2-42.1170.8-75-171.713500112T635 N643T635-E639 PolarHBondContact O-N 2.78Å; E639-N643 WeakPolarHBondContact O-CB 3.49Å; E639-N643 PolarHBondContact O-N 3Å; E639-N643 PolarHBondContact O-ND2 3.16Å
640Q70.7Confident67.5Low129 Ų12996.8 Ų96.860%0.60353%0.53SS*.Hα-helixtrans-66.5-37.9177.4-72.8174.62500112.1Q636 S637 E638 A644Q636-Q640 WeakPolarHBondContact O-CG 3.39Å; S637-Q640 PolarHBondContact O-N 3.22Å; E638-Q640 VanDerWaalsContact C-N 3.29Å; E638-Q640 PolarHBondContact O-N 3.24Å; Q640-A644 WeakPolarHBondContact O-CB 3.22Å; Q640-A644 PolarHBondContact O-N 2.94Å
641L66.1Low65.9Low112 Ų112101.4 Ų101.459%0.58654%0.54SS*.Hα-helixtrans-76.2-35.4-178.5-154155.2000111.6S637 E638 A644 L645S637-L641 WeakPolarHBondContact O-CB 3.41Å; S637-L641 PolarHBondContact O-N 3.47Å; E638-L641 PolarHBondContact O-N 3.45Å; E638-L641 VanDerWaalsContact O-N 3.13Å; L641-A644 PolarHBondContact O-N 3.26Å; L641-L645 HydrophobicContact CD2-CD1 3.67Å; L641-L645 HydrophobicContact CD2-CG 4.08Å; L641-L645 WeakPolarHBondContact O-CB 3.15Å; L641-L645 WeakPolarHBondContact O-CG 3.41Å; L641-L645 PolarHBondContact O-N 2.96Å
642E69.9Low64.2Low128 Ų128105.7 Ų105.760%0.59856%0.563SS**Hα-helixtrans-64.2-45.6171-174.7169.5-150.800111.6E638 A644 L645 L646E638-E642 WeakPolarHBondContact O-CB 3.46Å; E638-E642 PolarHBondContact O-N 2.94Å; E642-A644 VanDerWaalsContact C-N 3.3Å; E642-A644 PolarHBondContact O-N 3.08Å; E642-L645 PolarHBondContact O-N 3.08Å; E642-L645 VanDerWaalsContact O-N 3.17Å; E642-L646 PolarHBondContact O-N 3.27Å
643N66.2Low62.6Low105 Ų105109.8 Ų109.856%0.56159%0.585SS**Hα-helixtrans-60.4-38.7172.5-82.9-77000112.2E639 T647E639-N643 WeakPolarHBondContact O-CB 3.49Å; E639-N643 PolarHBondContact O-N 3Å; E639-N643 PolarHBondContact O-ND2 3.16Å; N643-T647 WeakPolarHBondContact O-CB 3.15Å; N643-T647 PolarHBondContact O-N 2.94Å; N643-T647 VanDerWaalsContact O-N 3.13Å; N643-T647 PolarHBondContact O-OG1 3.5Å
644A60.3Low60.7Low56 Ų56111.7 Ų111.746%0.46360%0.596SS.*Hα-helixtrans-66.4-38.7174.500000112.4Q640 L641 E642 T647 A648Q640-A644 WeakPolarHBondContact O-CB 3.22Å; Q640-A644 PolarHBondContact O-N 2.94Å; L641-A644 PolarHBondContact O-N 3.26Å; E642-A644 VanDerWaalsContact C-N 3.3Å; E642-A644 PolarHBondContact O-N 3.08Å; A644-T647 CarbonylContact O-C 3.52Å; A644-T647 PolarHBondContact O-N 3.4Å; A644-A648 WeakPolarHBondContact O-CB 3.29Å; A644-A648 PolarHBondContact O-N 2.83Å
645L58.9Low59.3Low108 Ų108116.9 Ų116.957%0.56562%0.619SS**Hα-helixtrans-67.4-41.2176-79.8169.1000112.4L641 E642 T647 A648 A649L641-L645 HydrophobicContact CD2-CD1 3.67Å; L641-L645 HydrophobicContact CD2-CG 4.08Å; L641-L645 WeakPolarHBondContact O-CB 3.15Å; L641-L645 WeakPolarHBondContact O-CG 3.41Å; L641-L645 PolarHBondContact O-N 2.96Å; E642-L645 PolarHBondContact O-N 3.08Å; E642-L645 VanDerWaalsContact O-N 3.17Å; L645-T647 PolarHBondContact O-N 3.17Å; L645-A648 PolarHBondContact O-N 3.14Å; L645-A648 VanDerWaalsContact O-N 3.16Å; L645-A649 WeakPolarHBondContact O-CB 3.33Å; L645-A649 PolarHBondContact O-N 3.44Å
646L58.9Low57.5Low116 Ų116120.6 Ų120.661%0.60764%0.636SS**Hα-helixtrans-57.4-39.9170.7-110.173.5000111.8E642 T650E642-L646 PolarHBondContact O-N 3.27Å; L646-T650 PolarHBondContact O-OG1 3.26Å
647T54.6Low56.4Low81 Ų81121.3 Ų121.350%0.49764%0.643SS.*Hα-helixtrans-73.9-24.6178.9-52.10000112.9N643 A644 L645 T650N643-T647 WeakPolarHBondContact O-CB 3.15Å; N643-T647 PolarHBondContact O-N 2.94Å; N643-T647 VanDerWaalsContact O-N 3.13Å; N643-T647 PolarHBondContact O-OG1 3.5Å; A644-T647 CarbonylContact O-C 3.52Å; A644-T647 PolarHBondContact O-N 3.4Å; L645-T647 PolarHBondContact O-N 3.17Å; T647-T650 PolarHBondContact O-OG1 2.89Å
648A50.8Low55.5Low56 Ų56124.1 Ų124.146%0.46365%0.654SS.*Hα-helixtrans-84.1-38.8175.200000112.5A644 L645 T650 R651A644-A648 WeakPolarHBondContact O-CB 3.29Å; A644-A648 PolarHBondContact O-N 2.83Å; L645-A648 PolarHBondContact O-N 3.14Å; L645-A648 VanDerWaalsContact O-N 3.16Å; A648-T650 PolarHBondContact O-N 2.94Å; A648-R651 PolarHBondContact O-N 3.39Å
649A52.1Low54.3Low83 Ų83122.2 Ų122.269%0.68666%0.657SS**Hα-helixtrans-61.5-24.3179.900000113.3L645L645-A649 WeakPolarHBondContact O-CB 3.33Å; L645-A649 PolarHBondContact O-N 3.44Å
650T50.7Low53.4Low114 Ų114119.9 Ų119.970%0.69966%0.655SS**THydrogen-bonded Turntrans-91.311.2-177.542.50000114.6L646 T647 A648L646-T650 PolarHBondContact O-OG1 3.26Å; T647-T650 PolarHBondContact O-OG1 2.89Å; A648-T650 PolarHBondContact O-N 2.94Å
651R46.1Very low52.5Low198 Ų198121 Ų12175%0.74766%0.658SS**SBendtrans-125.6-7.7-174.8-83.4-177.3168.4167.8-0.8117.5A648A648-R651 PolarHBondContact O-N 3.39Å
652N43.6Very low52.2Low147 Ų147121.3 Ų121.379%0.78666%0.66SS**  trans-102.918.2-166.7-96.71.1000116.1Q654N652-Q654 PolarHBondContact O-N 3.07Å
653D40.5Very low51.8Low168 Ų168121.2 Ų121.290%0.89866%0.663SS**SBendtrans-734.1175.2-84.1-34.8000114.4
654Q40.7Very low51.5Low172 Ų172121.4 Ų121.480%0.80466%0.663SS**SBendtrans-129.8131.3-173.3-69.9-174.2-47.700114.5N652N652-Q654 PolarHBondContact O-N 3.07Å
655E44Very low51.7Low196 Ų196125.3 Ų125.392%0.91667%0.67SS**  trans80.5120.4164.6-52.4-159.4151.200120
656N40.5Very low52.1Low148 Ų148124.2 Ų124.279%0.79167%0.665SS**  trans-78.2135.3177.9-76.7-69.1000112
657N50.7Low52.7Low130 Ų130126.5 Ų126.570%0.69567%0.666SS**  trans-153.4110.7151.9-109.2-52.1000112.5A659 S660N657-A659 VanDerWaalsContact C-N 3.26Å; N657-A659 PolarHBondContact O-N 3.32Å; N657-S660 PolarHBondContact O-N 2.86Å
658N51.3Low53.4Low119 Ų119127.5 Ų127.564%0.63667%0.667SS**Hα-helixtrans-67.3-21-172.9-77.6-28.5000114.3S660 K661N658-S660 VanDerWaalsContact C-N 3.32Å; N658-S660 PolarHBondContact O-N 3.25Å; N658-K661 PolarHBondContact O-N 3.45Å
659A51Low54.5Low72 Ų72129.1 Ų129.160%0.59567%0.665SS**Hα-helixtrans-60.8-40176.200000112.5N657 K661 N662 L663N657-A659 VanDerWaalsContact C-N 3.26Å; N657-A659 PolarHBondContact O-N 3.32Å; A659-K661 VanDerWaalsContact C-N 3.3Å; A659-K661 PolarHBondContact O-N 3.29Å; A659-N662 PolarHBondContact O-N 3.04Å; A659-L663 PolarHBondContact O-N 3.49Å
660S54Low55.6Low80 Ų80132.2 Ų132.256%0.55966%0.659SS**Hα-helixtrans-67.6-29.3178.8-58.40000112.7N657 N658 L664N657-S660 PolarHBondContact O-N 2.86Å; N658-S660 VanDerWaalsContact C-N 3.32Å; N658-S660 PolarHBondContact O-N 3.25Å; S660-L664 VanDerWaalsContact O-CB 3.24Å; S660-L664 WeakPolarHBondContact O-CB 3.24Å; S660-L664 PolarHBondContact O-N 2.98Å
661K52.1Low56.7Low153 Ų153130.4 Ų130.467%0.66565%0.645SS**Hα-helixtrans-64.9-46.4177.9-102.6-179.7176.71740111.9N658 A659 L664 F665N658-K661 PolarHBondContact O-N 3.45Å; A659-K661 VanDerWaalsContact C-N 3.3Å; A659-K661 PolarHBondContact O-N 3.29Å; K661-L664 PolarHBondContact O-N 2.83Å; K661-F665 WeakPolarHBondContact O-CB 3.45Å; K661-F665 PolarHBondContact O-N 3.03Å
662N58.8Low58Low117 Ų117126 Ų12663%0.62664%0.637SS**Hα-helixtrans-68.6-41.6178.9-71.611.6000111.7A659 L664 F665 D666A659-N662 PolarHBondContact O-N 3.04Å; N662-L664 VanDerWaalsContact C-N 3.26Å; N662-L664 PolarHBondContact O-N 3.46Å; N662-F665 PolarHBondContact O-N 3.1Å; N662-F665 VanDerWaalsContact O-N 3.16Å; N662-D666 WeakPolarHBondContact O-CB 3.24Å; N662-D666 PolarHBondContact O-N 3.36Å
663L61.3Low59.6Low126 Ų126125 Ų12566%0.6663%0.625SS**Hα-helixtrans-60.9-33.5175.6-103.9164.4000113.2A659 R667A659-L663 PolarHBondContact O-N 3.49Å; L663-R667 WeakPolarHBondContact O-CB 3.16Å; L663-R667 PolarHBondContact O-N 3.19Å
664L60.4Low61.4Low109 Ų109119.3 Ų119.357%0.57160%0.602SS**Hα-helixtrans-77.6-35.3175.8-161.7152.7000111.5S660 K661 N662 R667 L668S660-L664 VanDerWaalsContact O-CB 3.24Å; S660-L664 WeakPolarHBondContact O-CB 3.24Å; S660-L664 PolarHBondContact O-N 2.98Å; K661-L664 PolarHBondContact O-N 2.83Å; N662-L664 VanDerWaalsContact C-N 3.26Å; N662-L664 PolarHBondContact O-N 3.46Å; L664-R667 PolarHBondContact O-N 3.25Å; L664-L668 HydrophobicContact CD2-CD1 3.64Å; L664-L668 HydrophobicContact CD2-CG 4.11Å; L664-L668 WeakPolarHBondContact O-CG 3.26Å; L664-L668 PolarHBondContact O-N 3.48Å
665F63.8Low63Low139 Ų139116.5 Ų116.561%0.6159%0.592SS**Hα-helixtrans-66.6-47.1174.1-151.5-86000112.1K661 N662 R667 L668 E669K661-F665 WeakPolarHBondContact O-CB 3.45Å; K661-F665 PolarHBondContact O-N 3.03Å; N662-F665 PolarHBondContact O-N 3.1Å; N662-F665 VanDerWaalsContact O-N 3.16Å; F665-R667 PolarHBondContact O-N 2.88Å; F665-L668 PolarHBondContact O-N 3.49Å; F665-E669 PolarHBondContact O-N 3.19Å
666D68.9Low64.6Low85 Ų85112.1 Ų112.146%0.45557%0.574SS.*Hα-helixtrans-56.9-34.8172.8-8813.4000112.5N662 R670N662-D666 WeakPolarHBondContact O-CB 3.24Å; N662-D666 PolarHBondContact O-N 3.36Å; D666-R670 PolarHBondContact O-N 3.18Å; D666-R670 PolarHBondContact O-NH1 3.27Å
667R71.3Confident66.5Low164 Ų164109.4 Ų109.462%0.61956%0.563SS**Hα-helixtrans-71.9-50.2175.8-171.6172.3-174.4167.73.3110.8L663 L664 F665 E669 R670 D671L663-R667 WeakPolarHBondContact O-CB 3.16Å; L663-R667 PolarHBondContact O-N 3.19Å; L664-R667 PolarHBondContact O-N 3.25Å; F665-R667 PolarHBondContact O-N 2.88Å; R667-E669 VanDerWaalsContact C-N 3.29Å; R667-E669 PolarHBondContact O-N 2.85Å; R667-R670 PolarHBondContact O-N 2.85Å; R667-R670 VanDerWaalsContact O-N 3.14Å; R667-D671 WeakPolarHBondContact CG-OD2 3.25Å; R667-D671 WeakPolarHBondContact O-CB 3.44Å; R667-D671 PolarHBondContact O-N 2.75Å
668L68.1Low67.8Low101 Ų101107.5 Ų107.553%0.52955%0.552SS.*Hα-helixtrans-57.8-37.7174.9-74.7173.2000112.7L664 F665 N672L664-L668 HydrophobicContact CD2-CD1 3.64Å; L664-L668 HydrophobicContact CD2-CG 4.11Å; L664-L668 WeakPolarHBondContact O-CG 3.26Å; L664-L668 PolarHBondContact O-N 3.48Å; F665-L668 PolarHBondContact O-N 3.49Å; L668-N672 WeakPolarHBondContact O-CB 3.34Å; L668-N672 PolarHBondContact O-N 3.49Å
669E75Confident69Low91 Ų91108.4 Ų108.443%0.42555%0.551SS.*Hα-helixtrans-70.2-36.9177.4-156.5-165122.700112.2F665 R667 K673F665-E669 PolarHBondContact O-N 3.19Å; R667-E669 VanDerWaalsContact C-N 3.29Å; R667-E669 PolarHBondContact O-N 2.85Å; E669-K673 WeakPolarHBondContact O-CB 3.3Å; E669-K673 WeakPolarHBondContact O-CG 3.31Å; E669-K673 PolarHBondContact O-N 2.71Å; E669-K673 WeakPolarHBondContact OE1-CE 3.26Å; E669-K673 IonicContact OE1-NZ 2.6Å; E669-K673 PolarHBondContact OE1-NZ 2.87Å
670R74.1Confident70.6Confident147 Ų147111 Ų11156%0.55555%0.55SS**Hα-helixtrans-65-46.9172.7-118.4175.6-84.1103.5-1.9111.6D666 R667 K673 A674D666-R670 PolarHBondContact O-N 3.18Å; D666-R670 PolarHBondContact O-NH1 3.27Å; R667-R670 PolarHBondContact O-N 2.85Å; R667-R670 VanDerWaalsContact O-N 3.14Å; R670-K673 PolarHBondContact O-N 2.67Å; R670-A674 PolarHBondContact O-N 3.05Å
671D74Confident72Confident77 Ų77112.3 Ų112.341%0.41255%0.551SS.*Hα-helixtrans-67.7-37.9-178.6-61.7-14.2000110.8R667 A674 L675R667-D671 WeakPolarHBondContact CG-OD2 3.25Å; R667-D671 WeakPolarHBondContact O-CB 3.44Å; R667-D671 PolarHBondContact O-N 2.75Å; D671-A674 PolarHBondContact O-N 2.78Å; D671-L675 WeakPolarHBondContact O-CB 3.37Å; D671-L675 WeakPolarHBondContact O-CG 3.48Å; D671-L675 PolarHBondContact O-N 2.79Å
672N73.7Confident73.3Confident105 Ų105110.3 Ų110.356%0.56155%0.547SS*.Hα-helixtrans-68.7-36.3174.3-166.38.8000112.2L668 L675 L676L668-N672 WeakPolarHBondContact O-CB 3.34Å; L668-N672 PolarHBondContact O-N 3.49Å; N672-L675 PolarHBondContact O-N 3.33Å; N672-L676 WeakPolarHBondContact O-CB 3.31Å; N672-L676 PolarHBondContact O-N 2.95Å
673K78.7Confident74.4Confident125 Ų125108.2 Ų108.254%0.54354%0.538SS..Hα-helixtrans-65.7-39.4171-81.3169172.5167.20112.3E669 R670 L676 V677E669-K673 WeakPolarHBondContact O-CB 3.3Å; E669-K673 WeakPolarHBondContact O-CG 3.31Å; E669-K673 PolarHBondContact O-N 2.71Å; E669-K673 WeakPolarHBondContact OE1-CE 3.26Å; E669-K673 IonicContact OE1-NZ 2.6Å; E669-K673 PolarHBondContact OE1-NZ 2.87Å; R670-K673 PolarHBondContact O-N 2.67Å; K673-L676 PolarHBondContact O-N 3.06Å; K673-V677 WeakPolarHBondContact O-CG2 3.48Å; K673-V677 PolarHBondContact O-N 3.12Å; K673-V677 VanDerWaalsContact O-N 3.16Å
674A76.2Confident75.5Confident50 Ų50107.1 Ų107.141%0.41353%0.533SS..Hα-helixtrans-63-48.4173.100000111.4R670 D671 L676 V677 D678R670-A674 PolarHBondContact O-N 3.05Å; D671-A674 PolarHBondContact O-N 2.78Å; A674-L676 VanDerWaalsContact C-N 3.26Å; A674-L676 PolarHBondContact O-N 3.06Å; A674-V677 PolarHBondContact O-N 2.76Å; A674-V677 VanDerWaalsContact O-N 3.08Å; A674-D678 PolarHBondContact O-N 2.78Å
675L74.5Confident76.6Confident113 Ų113106.8 Ų106.859%0.59253%0.527SS*.Hα-helixtrans-61-31175.6-74.3166.2000113.2D671 N672 K679D671-L675 WeakPolarHBondContact O-CB 3.37Å; D671-L675 WeakPolarHBondContact O-CG 3.48Å; D671-L675 PolarHBondContact O-N 2.79Å; N672-L675 PolarHBondContact O-N 3.33Å; L675-K679 WeakPolarHBondContact O-CB 3.34Å; L675-K679 PolarHBondContact O-N 2.74Å
676L79.1Confident77.3Confident103 Ų103103.6 Ų103.654%0.53952%0.519SS..Hα-helixtrans-68.9-40.8173.9-149.184000111.7N672 K673 A674 Q680N672-L676 WeakPolarHBondContact O-CB 3.31Å; N672-L676 PolarHBondContact O-N 2.95Å; K673-L676 PolarHBondContact O-N 3.06Å; A674-L676 VanDerWaalsContact C-N 3.26Å; A674-L676 PolarHBondContact O-N 3.06Å; L676-Q680 WeakPolarHBondContact O-CB 3.32Å; L676-Q680 PolarHBondContact O-N 3.25Å
677V80.7Confident78Confident92 Ų92102.7 Ų102.756%0.55852%0.516SS*.Hα-helixtrans-65.9-47.1175.1172.30000110.7K673 A674 K679 Q680 L681K673-V677 WeakPolarHBondContact O-CG2 3.48Å; K673-V677 PolarHBondContact O-N 3.12Å; K673-V677 VanDerWaalsContact O-N 3.16Å; A674-V677 PolarHBondContact O-N 2.76Å; A674-V677 VanDerWaalsContact O-N 3.08Å; V677-K679 PolarHBondContact O-N 2.93Å; V677-Q680 PolarHBondContact O-N 2.72Å; V677-Q680 VanDerWaalsContact O-N 3.14Å; V677-L681 WeakPolarHBondContact O-CB 3.24Å; V677-L681 PolarHBondContact O-N 3.03Å
678D76.4Confident78.6Confident89 Ų8997.9 Ų97.948%0.47650%0.501SS..Hα-helixtrans-62.6-41.9176.4-79.4-13000111.5A674 Q680 L681 L682A674-D678 PolarHBondContact O-N 2.78Å; D678-Q680 VanDerWaalsContact C-N 3.31Å; D678-Q680 PolarHBondContact O-N 3.39Å; D678-L681 PolarHBondContact O-N 3.27Å; D678-L682 VanDerWaalsContact O-CB 3.3Å; D678-L682 WeakPolarHBondContact O-CB 3.41Å; D678-L682 VanDerWaalsContact O-CG 3.28Å; D678-L682 WeakPolarHBondContact O-CG 3.2Å; D678-L682 PolarHBondContact O-N 2.86Å
679K77.9Confident79.3Confident139 Ų13998 Ų9860%0.60450%0.501SS*.Hα-helixtrans-58.7-42.9172.5178.9-179.1177.1-1780111.5L675 V677 T683L675-K679 WeakPolarHBondContact O-CB 3.34Å; L675-K679 PolarHBondContact O-N 2.74Å; V677-K679 PolarHBondContact O-N 2.93Å; K679-T683 WeakPolarHBondContact O-CB 3.37Å; K679-T683 PolarHBondContact O-N 2.73Å; K679-T683 PolarHBondContact O-OG1 3.4Å
680Q83.4Confident79.7Confident125 Ų12598.5 Ų98.558%0.58450%0.504SS*.Hα-helixtrans-72.5-35.1-178.9-163.8161.64.800111.7L676 V677 D678 T683 N684L676-Q680 WeakPolarHBondContact O-CB 3.32Å; L676-Q680 PolarHBondContact O-N 3.25Å; V677-Q680 PolarHBondContact O-N 2.72Å; V677-Q680 VanDerWaalsContact O-N 3.14Å; D678-Q680 VanDerWaalsContact C-N 3.31Å; D678-Q680 PolarHBondContact O-N 3.39Å; Q680-T683 PolarHBondContact O-N 3Å; Q680-N684 VanDerWaalsContact O-CG 3.26Å; Q680-N684 PolarHBondContact O-N 3.4Å
681L83.9Confident80.1Confident109 Ų10995.1 Ų95.157%0.57150%0.499SS*.Hα-helixtrans-68-40.6173.1-168.5145.2000111.8V677 D678 N684 K685V677-L681 WeakPolarHBondContact O-CB 3.24Å; V677-L681 PolarHBondContact O-N 3.03Å; D678-L681 PolarHBondContact O-N 3.27Å; L681-N684 PolarHBondContact O-N 2.95Å; L681-K685 WeakPolarHBondContact O-CB 3.27Å; L681-K685 PolarHBondContact O-N 3.19Å
682L78.6Confident80.7Confident111 Ų11198.6 Ų98.658%0.58151%0.507SS*.Hα-helixtrans-65.6-37.9170.5-74.4168.1000112.3D678 K685 V686D678-L682 VanDerWaalsContact O-CB 3.3Å; D678-L682 WeakPolarHBondContact O-CB 3.41Å; D678-L682 VanDerWaalsContact O-CG 3.28Å; D678-L682 WeakPolarHBondContact O-CG 3.2Å; D678-L682 PolarHBondContact O-N 2.86Å; L682-K685 CarbonylContact O-C 3.57Å; L682-K685 WeakPolarHBondContact O-CA 3.36Å; L682-K685 WeakPolarHBondContact O-CB 3.3Å; L682-K685 PolarHBondContact O-N 3.17Å; L682-K685 VanDerWaalsContact O-N 3.09Å; L682-V686 WeakPolarHBondContact O-CG2 3.28Å; L682-V686 PolarHBondContact O-N 3.21Å
683T82.2Confident81.1Confident73 Ų7398.5 Ų98.545%0.44851%0.506SS..Hα-helixtrans-63.3-44.5175.7-56.40000110.5K679 Q680 K685 V686 T687K679-T683 WeakPolarHBondContact O-CB 3.37Å; K679-T683 PolarHBondContact O-N 2.73Å; K679-T683 PolarHBondContact O-OG1 3.4Å; Q680-T683 PolarHBondContact O-N 3Å; T683-K685 VanDerWaalsContact C-N 3.25Å; T683-K685 PolarHBondContact O-N 3.5Å; T683-V686 PolarHBondContact O-N 3.42Å; T683-T687 PolarHBondContact O-N 3.27Å; T683-T687 PolarHBondContact O-OG1 3.14Å
684N84Confident81.3Confident102 Ų10298.7 Ų98.755%0.54551%0.509SS..Hα-helixtrans-63.4-31.7172.3-66.9-12.3000112.1Q680 L681 T687 E688Q680-N684 VanDerWaalsContact O-CG 3.26Å; Q680-N684 PolarHBondContact O-N 3.4Å; L681-N684 PolarHBondContact O-N 2.95Å; N684-T687 PolarHBondContact O-OG1 3.21Å; N684-E688 WeakPolarHBondContact O-CB 3.36Å; N684-E688 PolarHBondContact O-N 3.12Å
685K85.1Confident81.7Confident102 Ų10299.7 Ų99.744%0.44351%0.509SS..Hα-helixtrans-70.6-36.4174.8-154.773-170.2160.20112.5L681 L682 T683 E688 L689L681-K685 WeakPolarHBondContact O-CB 3.27Å; L681-K685 PolarHBondContact O-N 3.19Å; L682-K685 CarbonylContact O-C 3.57Å; L682-K685 WeakPolarHBondContact O-CA 3.36Å; L682-K685 WeakPolarHBondContact O-CB 3.3Å; L682-K685 PolarHBondContact O-N 3.17Å; L682-K685 VanDerWaalsContact O-N 3.09Å; T683-K685 VanDerWaalsContact C-N 3.25Å; T683-K685 PolarHBondContact O-N 3.5Å; K685-E688 WeakPolarHBondContact CE-OE2 3.33Å; K685-E688 IonicContact NZ-OE2 3.91Å; K685-E688 PolarHBondContact NZ-OE2 3.46Å; K685-L689 WeakPolarHBondContact O-CB 3.24Å; K685-L689 VanDerWaalsContact O-CG 3.27Å; K685-L689 WeakPolarHBondContact O-CG 3.45Å; K685-L689 PolarHBondContact O-N 3.04Å
686V78.1Confident82Confident73 Ų7396.7 Ų96.744%0.44250%0.501SS..Hα-helixtrans-66.1-47.9174169.90000110.3L682 T683 E688 L689 E690L682-V686 WeakPolarHBondContact O-CG2 3.28Å; L682-V686 PolarHBondContact O-N 3.21Å; T683-V686 PolarHBondContact O-N 3.42Å; V686-E688 VanDerWaalsContact C-N 3.32Å; V686-E688 PolarHBondContact O-N 3.26Å; V686-L689 CarbonylContact O-C 3.58Å; V686-L689 WeakPolarHBondContact O-CA 3.49Å; V686-L689 WeakPolarHBondContact O-CB 3.41Å; V686-L689 PolarHBondContact O-N 2.88Å; V686-E690 HydrophobicContact CG1-CG 4.22Å; V686-E690 WeakPolarHBondContact O-CG 3.44Å; V686-E690 PolarHBondContact O-N 2.9Å
687T83Confident82.2Confident65 Ų6597 Ų9740%0.39950%0.5SS..Hα-helixtrans-67.5-30.317857.20000113T683 N684 T691T683-T687 PolarHBondContact O-N 3.27Å; T683-T687 PolarHBondContact O-OG1 3.14Å; N684-T687 PolarHBondContact O-OG1 3.21Å; T687-T691 WeakPolarHBondContact O-CB 3.29Å; T687-T691 WeakPolarHBondContact O-CG2 3.4Å; T687-T691 PolarHBondContact O-N 3.31Å; T687-T691 PolarHBondContact O-OG1 2.86Å
688E84.3Confident82.4Confident64 Ų6495.6 Ų95.630%0.29949%0.494SS..Hα-helixtrans-63.2-39.3167.7-165.7-163.8172.600111.9N684 K685 V686 T691 R692N684-E688 WeakPolarHBondContact O-CB 3.36Å; N684-E688 PolarHBondContact O-N 3.12Å; K685-E688 WeakPolarHBondContact CE-OE2 3.33Å; K685-E688 IonicContact NZ-OE2 3.91Å; K685-E688 PolarHBondContact NZ-OE2 3.46Å; V686-E688 VanDerWaalsContact C-N 3.32Å; V686-E688 PolarHBondContact O-N 3.26Å; E688-T691 PolarHBondContact O-OG1 3Å; E688-T691 VanDerWaalsContact O-OG1 3.12Å; E688-R692 WeakPolarHBondContact O-CB 3.38Å; E688-R692 VanDerWaalsContact O-CD 3.31Å; E688-R692 WeakPolarHBondContact O-CD 3.17Å; E688-R692 WeakPolarHBondContact O-CG 3.24Å; E688-R692 PolarHBondContact O-N 3.07Å; E688-R692 VanDerWaalsContact O-N 3.09Å; E688-R692 IonicContact OE1-CZ 3.71Å; E688-R692 VanDerWaalsContact OE1-CZ 3.29Å; E688-R692 IonicContact OE1-NE 2.89Å; E688-R692 PolarHBondContact OE1-NE 3.32Å; E688-R692 VanDerWaalsContact OE1-NE 3.16Å; E688-R692 IonicContact OE1-NH2 2.94Å; E688-R692 PolarHBondContact OE1-NH2 3.05Å
689L81.8Confident82.8Confident102 Ų10296.9 Ų96.953%0.53450%0.497SS..Hα-helixtrans-74.6-37.4177.9-72.4169000112.6K685 V686 R692 L693K685-L689 WeakPolarHBondContact O-CB 3.24Å; K685-L689 VanDerWaalsContact O-CG 3.27Å; K685-L689 WeakPolarHBondContact O-CG 3.45Å; K685-L689 PolarHBondContact O-N 3.04Å; V686-L689 CarbonylContact O-C 3.58Å; V686-L689 WeakPolarHBondContact O-CA 3.49Å; V686-L689 WeakPolarHBondContact O-CB 3.41Å; V686-L689 PolarHBondContact O-N 2.88Å; L689-R692 PolarHBondContact O-N 2.9Å; L689-L693 WeakPolarHBondContact O-CB 3.31Å; L689-L693 PolarHBondContact O-N 3.26Å
690E83.8Confident83Confident102 Ų10297.8 Ų97.848%0.47750%0.497SS..Hα-helixtrans-65.1-43.7175.3-71.2169.8156.400111.5V686 L693 Q694V686-E690 HydrophobicContact CG1-CG 4.22Å; V686-E690 WeakPolarHBondContact O-CG 3.44Å; V686-E690 PolarHBondContact O-N 2.9Å; E690-L693 WeakPolarHBondContact O-CB 3.17Å; E690-L693 PolarHBondContact O-N 2.86Å; E690-Q694 WeakPolarHBondContact O-CG 3.1Å; E690-Q694 PolarHBondContact O-N 3.44Å
691T83Confident83Confident76 Ų7694.3 Ų94.347%0.46649%0.49SS..Hα-helixtrans-67.9-37175.348.80000112.3T687 E688 T695T687-T691 WeakPolarHBondContact O-CB 3.29Å; T687-T691 WeakPolarHBondContact O-CG2 3.4Å; T687-T691 PolarHBondContact O-N 3.31Å; T687-T691 PolarHBondContact O-OG1 2.86Å; E688-T691 PolarHBondContact O-OG1 3Å; E688-T691 VanDerWaalsContact O-OG1 3.12Å; T691-T695 WeakPolarHBondContact O-CB 3.14Å; T691-T695 PolarHBondContact O-N 3.36Å; T691-T695 PolarHBondContact O-OG1 2.96Å
692R86Confident83Confident151 Ų15194 Ų9457%0.5749%0.489SS*.Hα-helixtrans-63.3-38.9169.3-74.7166.8-179.3-1146.4112.1E688 L689 T695 A696E688-R692 WeakPolarHBondContact O-CB 3.38Å; E688-R692 VanDerWaalsContact O-CD 3.31Å; E688-R692 WeakPolarHBondContact O-CD 3.17Å; E688-R692 WeakPolarHBondContact O-CG 3.24Å; E688-R692 PolarHBondContact O-N 3.07Å; E688-R692 VanDerWaalsContact O-N 3.09Å; E688-R692 IonicContact OE1-CZ 3.71Å; E688-R692 VanDerWaalsContact OE1-CZ 3.29Å; E688-R692 IonicContact OE1-NE 2.89Å; E688-R692 PolarHBondContact OE1-NE 3.32Å; E688-R692 VanDerWaalsContact OE1-NE 3.16Å; E688-R692 IonicContact OE1-NH2 2.94Å; E688-R692 PolarHBondContact OE1-NH2 3.05Å; L689-R692 PolarHBondContact O-N 2.9Å; R692-T695 WeakPolarHBondContact O-CB 3.15Å; R692-T695 PolarHBondContact O-N 3.41Å; R692-A696 PolarHBondContact O-N 3.08Å
693L81.5Confident83.3Confident102 Ų10294.4 Ų94.453%0.53449%0.491SS..Hα-helixtrans-64.3-51.5177.1-175.270.3000110.9L689 E690 T695 A696 E697L689-L693 WeakPolarHBondContact O-CB 3.31Å; L689-L693 PolarHBondContact O-N 3.26Å; E690-L693 WeakPolarHBondContact O-CB 3.17Å; E690-L693 PolarHBondContact O-N 2.86Å; L693-T695 PolarHBondContact O-N 2.92Å; L693-A696 CarbonylContact O-C 3.47Å; L693-A696 WeakPolarHBondContact O-CA 3.46Å; L693-A696 WeakPolarHBondContact O-CB 3.29Å; L693-A696 PolarHBondContact O-N 3.45Å; L693-E697 HydrophobicContact CG-CG 4.49Å; L693-E697 WeakPolarHBondContact O-CG 3.37Å; L693-E697 PolarHBondContact O-N 3.38Å
694Q83.7Confident83.4Confident130 Ų13095.1 Ų95.161%0.60749%0.489SS*.Hα-helixtrans-59-35.7175.3-71.4178.9-11.900112.3E690 E697 S698E690-Q694 WeakPolarHBondContact O-CG 3.1Å; E690-Q694 PolarHBondContact O-N 3.44Å; Q694-E697 PolarHBondContact O-N 3.49Å; Q694-S698 PolarHBondContact O-N 2.86Å; Q694-S698 PolarHBondContact O-OG 3.45Å
695T84.2Confident83.5Confident70 Ų7095.7 Ų95.743%0.42949%0.488SS..Hα-helixtrans-64.4-45.2173.1-55.40000111T691 R692 L693 S698 Q699T691-T695 WeakPolarHBondContact O-CB 3.14Å; T691-T695 PolarHBondContact O-N 3.36Å; T691-T695 PolarHBondContact O-OG1 2.96Å; R692-T695 WeakPolarHBondContact O-CB 3.15Å; R692-T695 PolarHBondContact O-N 3.41Å; L693-T695 PolarHBondContact O-N 2.92Å; T695-S698 PolarHBondContact O-N 3.24Å; T695-S698 PolarHBondContact O-OG 2.93Å; T695-Q699 WeakPolarHBondContact O-CB 3.5Å; T695-Q699 VanDerWaalsContact O-CG 3.32Å; T695-Q699 WeakPolarHBondContact O-CG 3.19Å; T695-Q699 PolarHBondContact O-N 2.84Å
696A80.4Confident83.5Confident50 Ų5093.4 Ų93.441%0.41349%0.485SS..Hα-helixtrans-66.9-35.8176.700000112.8R692 L693 Q699 R700R692-A696 PolarHBondContact O-N 3.08Å; L693-A696 CarbonylContact O-C 3.47Å; L693-A696 WeakPolarHBondContact O-CA 3.46Å; L693-A696 WeakPolarHBondContact O-CB 3.29Å; L693-A696 PolarHBondContact O-N 3.45Å; A696-Q699 PolarHBondContact O-N 2.85Å; A696-R700 VanDerWaalsContact O-CB 3.32Å; A696-R700 WeakPolarHBondContact O-CB 3.1Å; A696-R700 PolarHBondContact O-N 2.6Å
697E84.2Confident83.8Confident109 Ų10994.3 Ų94.351%0.50949%0.49SS..Hα-helixtrans-68.2-41.4175.7-72.2176.515400111.9L693 Q694 R700 A701L693-E697 HydrophobicContact CG-CG 4.49Å; L693-E697 WeakPolarHBondContact O-CG 3.37Å; L693-E697 PolarHBondContact O-N 3.38Å; Q694-E697 PolarHBondContact O-N 3.49Å; E697-R700 PolarHBondContact O-N 3.1Å; E697-A701 WeakPolarHBondContact O-CB 3.46Å; E697-A701 PolarHBondContact O-N 2.78Å
698S84Confident83.8Confident63 Ų6397 Ų9744%0.44150%0.498SS..Hα-helixtrans-66.9-37.8173.163.60000112.6Q694 T695 A701 N702Q694-S698 PolarHBondContact O-N 2.86Å; Q694-S698 PolarHBondContact O-OG 3.45Å; T695-S698 PolarHBondContact O-N 3.24Å; T695-S698 PolarHBondContact O-OG 2.93Å; S698-A701 PolarHBondContact O-N 3.44Å; S698-N702 WeakPolarHBondContact O-CB 3.43Å; S698-N702 VanDerWaalsContact O-CG 3.22Å; S698-N702 PolarHBondContact O-N 3.1Å; S698-N702 PolarHBondContact O-ND2 2.87Å
699Q85.4Confident83.9Confident117 Ų11797.8 Ų97.855%0.54750%0.504SS..Hα-helixtrans-63.9-40.5171.4-73.5176.93.600111.9T695 A696 N702 L703T695-Q699 WeakPolarHBondContact O-CB 3.5Å; T695-Q699 VanDerWaalsContact O-CG 3.32Å; T695-Q699 WeakPolarHBondContact O-CG 3.19Å; T695-Q699 PolarHBondContact O-N 2.84Å; A696-Q699 PolarHBondContact O-N 2.85Å; Q699-N702 PolarHBondContact O-N 2.93Å; Q699-L703 WeakPolarHBondContact O-CB 3.34Å; Q699-L703 WeakPolarHBondContact O-CG 3.32Å; Q699-L703 PolarHBondContact O-N 2.74Å
700R83.3Confident84Confident158 Ų158100.3 Ų100.360%0.59651%0.508SS*.Hα-helixtrans-63.1-45.7174.2178.5-178.9165.6-151.9-16.1111.6A696 E697 N702 L703 E704A696-R700 VanDerWaalsContact O-CB 3.32Å; A696-R700 WeakPolarHBondContact O-CB 3.1Å; A696-R700 PolarHBondContact O-N 2.6Å; E697-R700 PolarHBondContact O-N 3.1Å; R700-N702 VanDerWaalsContact C-N 3.34Å; R700-N702 PolarHBondContact O-N 2.85Å; R700-L703 PolarHBondContact O-N 3.45Å; R700-L703 VanDerWaalsContact O-N 3.14Å; R700-E704 HydrophobicContact CG-CG 4.39Å; R700-E704 IonicContact CZ-OE1 3.68Å; R700-E704 IonicContact NE-OE1 2.7Å; R700-E704 PolarHBondContact NE-OE1 2.82Å; R700-E704 IonicContact NH2-OE1 3.35Å; R700-E704 PolarHBondContact NH2-OE1 3.35Å; R700-E704 IonicContact NH2-OE2 3.48Å; R700-E704 WeakPolarHBondContact O-CG 3.46Å; R700-E704 PolarHBondContact O-N 3.06Å
701A82.5Confident84Confident52 Ų52100.8 Ų100.843%0.4351%0.51SS..Hα-helixtrans-60.6-43177.100000111.7E697 S698 L703 E704 Q705E697-A701 WeakPolarHBondContact O-CB 3.46Å; E697-A701 PolarHBondContact O-N 2.78Å; S698-A701 PolarHBondContact O-N 3.44Å; A701-L703 VanDerWaalsContact C-N 3.33Å; A701-L703 PolarHBondContact O-N 3.39Å; A701-E704 PolarHBondContact O-N 2.88Å; A701-Q705 WeakPolarHBondContact O-CB 3.35Å; A701-Q705 PolarHBondContact O-N 3.32Å
702N84.7Confident84.1Confident103 Ų103103 Ų10355%0.55152%0.515SS*.Hα-helixtrans-62.4-38174-69.9-20.9000112.3S698 Q699 R700 C706S698-N702 WeakPolarHBondContact O-CB 3.43Å; S698-N702 VanDerWaalsContact O-CG 3.22Å; S698-N702 PolarHBondContact O-N 3.1Å; S698-N702 PolarHBondContact O-ND2 2.87Å; Q699-N702 PolarHBondContact O-N 2.93Å; R700-N702 VanDerWaalsContact C-N 3.34Å; R700-N702 PolarHBondContact O-N 2.85Å; N702-C706 VanDerWaalsContact O-CB 3.25Å; N702-C706 WeakPolarHBondContact O-CB 3.3Å; N702-C706 PolarHBondContact O-N 3.35Å
703L83.9Confident83.9Confident119 Ų119101.5 Ų101.562%0.62351%0.514SS*.Hα-helixtrans-70.2-40.7175.5-74.7168.7000112.3Q699 R700 A701 C706 V707Q699-L703 WeakPolarHBondContact O-CB 3.34Å; Q699-L703 WeakPolarHBondContact O-CG 3.32Å; Q699-L703 PolarHBondContact O-N 2.74Å; R700-L703 PolarHBondContact O-N 3.45Å; R700-L703 VanDerWaalsContact O-N 3.14Å; A701-L703 VanDerWaalsContact C-N 3.33Å; A701-L703 PolarHBondContact O-N 3.39Å; L703-C706 WeakPolarHBondContact O-CB 3.3Å; L703-C706 PolarHBondContact O-N 3.24Å; L703-V707 WeakPolarHBondContact O-CG2 3.46Å; L703-V707 PolarHBondContact O-N 3.33Å
704E84.3Confident83.9Confident88 Ų88100.2 Ų100.241%0.41151%0.514SS..Hα-helixtrans-63.8-41.7175.3-74176.8175.200111.1R700 A701 V707 Q708R700-E704 HydrophobicContact CG-CG 4.39Å; R700-E704 IonicContact CZ-OE1 3.68Å; R700-E704 IonicContact NE-OE1 2.7Å; R700-E704 PolarHBondContact NE-OE1 2.82Å; R700-E704 IonicContact NH2-OE1 3.35Å; R700-E704 PolarHBondContact NH2-OE1 3.35Å; R700-E704 IonicContact NH2-OE2 3.48Å; R700-E704 WeakPolarHBondContact O-CG 3.46Å; R700-E704 PolarHBondContact O-N 3.06Å; A701-E704 PolarHBondContact O-N 2.88Å; E704-V707 PolarHBondContact O-N 3.07Å; E704-Q708 WeakPolarHBondContact O-CG 3.42Å; E704-Q708 PolarHBondContact O-N 2.75Å
705Q85.2Confident83.9Confident113 Ų11399.2 Ų99.253%0.52851%0.51SS..Hα-helixtrans-64.3-38.5171.5-170.9179.51400112.2A701 Q708 N709A701-Q705 WeakPolarHBondContact O-CB 3.35Å; A701-Q705 PolarHBondContact O-N 3.32Å; Q705-Q708 PolarHBondContact O-N 2.88Å; Q705-N709 PolarHBondContact O-N 3.35Å
706C85.8Confident84Confident55 Ų55101.1 Ų101.137%0.37252%0.515SS..Hα-helixtrans-65.8-40.8176.8-1640000111.7N702 L703 N709 Y710N702-C706 VanDerWaalsContact O-CB 3.25Å; N702-C706 WeakPolarHBondContact O-CB 3.3Å; N702-C706 PolarHBondContact O-N 3.35Å; L703-C706 WeakPolarHBondContact O-CB 3.3Å; L703-C706 PolarHBondContact O-N 3.24Å; C706-N709 PolarHBondContact O-N 3.21Å; C706-Y710 VanDerWaalsContact O-CD2 3.22Å; C706-Y710 WeakPolarHBondContact O-CD2 3.49Å; C706-Y710 PolarHBondContact O-N 2.75Å
707V84.2Confident84.2Confident92 Ų92104.9 Ų104.956%0.55852%0.522SS*.Hα-helixtrans-63.5-42.6173169.70000111.4L703 E704 N709 Y710 Q711L703-V707 WeakPolarHBondContact O-CG2 3.46Å; L703-V707 PolarHBondContact O-N 3.33Å; E704-V707 PolarHBondContact O-N 3.07Å; V707-N709 PolarHBondContact O-N 2.88Å; V707-Y710 PolarHBondContact O-N 2.8Å; V707-Q711 WeakPolarHBondContact O-CB 3.45Å; V707-Q711 PolarHBondContact O-N 3.46Å
708Q83.8Confident84.1Confident121 Ų121105.1 Ų105.157%0.56552%0.523SS*.Hα-helixtrans-61.2-43.2174.6-74.3176.23.900112.1E704 Q705 Q711 Q712E704-Q708 WeakPolarHBondContact O-CG 3.42Å; E704-Q708 PolarHBondContact O-N 2.75Å; Q705-Q708 PolarHBondContact O-N 2.88Å; Q708-Q711 PolarHBondContact O-N 2.88Å; Q708-Q712 WeakPolarHBondContact O-CG 3.45Å; Q708-Q712 PolarHBondContact O-N 2.7Å
709N85.3Confident84.2Confident80 Ų80106 Ų10643%0.42853%0.526SS..Hα-helixtrans-62.7-43.1175.1-75.4-4.8000112.1Q705 C706 V707 Q711 Q712 Q713Q705-N709 PolarHBondContact O-N 3.35Å; C706-N709 PolarHBondContact O-N 3.21Å; V707-N709 PolarHBondContact O-N 2.88Å; N709-Q711 VanDerWaalsContact C-N 3.34Å; N709-Q712 PolarHBondContact O-N 2.83Å; N709-Q713 WeakPolarHBondContact O-CB 3.21Å; N709-Q713 WeakPolarHBondContact O-CG 3.28Å; N709-Q713 PolarHBondContact O-N 3.45Å
710Y84.2Confident84.1Confident155 Ų155105.5 Ų105.561%0.60852%0.524SS*.Hα-helixtrans-65-36.9175.3-84.4-61.2000112.5C706 V707 Q713 S714C706-Y710 VanDerWaalsContact O-CD2 3.22Å; C706-Y710 WeakPolarHBondContact O-CD2 3.49Å; C706-Y710 PolarHBondContact O-N 2.75Å; V707-Y710 PolarHBondContact O-N 2.8Å; Y710-Q713 PolarHBondContact O-N 2.98Å; Y710-S714 WeakPolarHBondContact O-CB 3.18Å; Y710-S714 PolarHBondContact O-N 3.35Å
711Q84.9Confident84.2Confident113 Ų113101.1 Ų101.153%0.52851%0.51SS..Hα-helixtrans-68-44.5176.6-174.9170.4-23.600111.2V707 Q708 N709 Q713 S714 E715V707-Q711 WeakPolarHBondContact O-CB 3.45Å; V707-Q711 PolarHBondContact O-N 3.46Å; Q708-Q711 PolarHBondContact O-N 2.88Å; N709-Q711 VanDerWaalsContact C-N 3.34Å; Q711-Q713 PolarHBondContact O-N 3.24Å; Q711-S714 WeakPolarHBondContact O-CB 3.41Å; Q711-S714 PolarHBondContact O-N 3.12Å; Q711-S714 VanDerWaalsContact O-N 3.15Å; Q711-E715 WeakPolarHBondContact CG-OE1 3.44Å; Q711-E715 PolarHBondContact NE2-OE1 3.28Å; Q711-E715 WeakPolarHBondContact O-CG 3.26Å; Q711-E715 PolarHBondContact O-N 2.78Å
712Q84.9Confident84.3Confident122 Ų122103.2 Ų103.257%0.5751%0.512SS*.Hα-helixtrans-59.8-43.1172.8-73.6179.4-0.900112.1Q708 N709 S714 E715 M716Q708-Q712 WeakPolarHBondContact O-CG 3.45Å; Q708-Q712 PolarHBondContact O-N 2.7Å; N709-Q712 PolarHBondContact O-N 2.83Å; Q712-S714 VanDerWaalsContact C-N 3.33Å; Q712-S714 PolarHBondContact O-N 3.35Å; Q712-E715 PolarHBondContact O-N 2.97Å; Q712-M716 VanDerWaalsContact O-CB 3.32Å; Q712-M716 WeakPolarHBondContact O-CB 3.38Å; Q712-M716 PolarHBondContact O-N 3.49Å
713Q82.2Confident84.3Confident119 Ų119104.6 Ų104.656%0.55652%0.515SS*.Hα-helixtrans-63.7-37.1174.3-75.9-179.1-4.700112.5N709 Y710 Q711 M716 F717N709-Q713 WeakPolarHBondContact O-CB 3.21Å; N709-Q713 WeakPolarHBondContact O-CG 3.28Å; N709-Q713 PolarHBondContact O-N 3.45Å; Y710-Q713 PolarHBondContact O-N 2.98Å; Q711-Q713 PolarHBondContact O-N 3.24Å; Q713-M716 PolarHBondContact O-N 3.29Å; Q713-F717 VanDerWaalsContact O-CB 3.3Å; Q713-F717 WeakPolarHBondContact O-CB 3.4Å; Q713-F717 PolarHBondContact O-N 2.92Å
714S80.9Confident84.2Confident76 Ų76101.4 Ų101.453%0.53150%0.503SS..Hα-helixtrans-68.7-38.6175.9-170.10000112.2Y710 Q711 Q712 H718Y710-S714 WeakPolarHBondContact O-CB 3.18Å; Y710-S714 PolarHBondContact O-N 3.35Å; Q711-S714 WeakPolarHBondContact O-CB 3.41Å; Q711-S714 PolarHBondContact O-N 3.12Å; Q711-S714 VanDerWaalsContact O-N 3.15Å; Q712-S714 VanDerWaalsContact C-N 3.33Å; Q712-S714 PolarHBondContact O-N 3.35Å; S714-H718 WeakPolarHBondContact O-CB 3.41Å; S714-H718 PolarHBondContact O-N 3.12Å
715E84.5Confident84.2Confident109 Ų109101.2 Ų101.251%0.50950%0.502SS..Hα-helixtrans-65.8-45.1174.5-73.2167.6-167.100110.2Q711 Q712 H718 T719Q711-E715 WeakPolarHBondContact CG-OE1 3.44Å; Q711-E715 PolarHBondContact NE2-OE1 3.28Å; Q711-E715 WeakPolarHBondContact O-CG 3.26Å; Q711-E715 PolarHBondContact O-N 2.78Å; Q712-E715 PolarHBondContact O-N 2.97Å; E715-H718 PolarHBondContact O-N 3.06Å; E715-H718 VanDerWaalsContact O-N 3.15Å; E715-T719 PolarHBondContact O-N 2.97Å; E715-T719 PolarHBondContact O-OG1 3.12Å
716M86.2Confident84.3Confident109 Ų109100.4 Ų100.454%0.53750%0.501SS..Hα-helixtrans-61.5-46.9177.3-152.4178.58500112.1Q712 Q713 H718 T719 E720Q712-M716 VanDerWaalsContact O-CB 3.32Å; Q712-M716 WeakPolarHBondContact O-CB 3.38Å; Q712-M716 PolarHBondContact O-N 3.49Å; Q713-M716 PolarHBondContact O-N 3.29Å; M716-H718 VanDerWaalsContact C-N 3.27Å; M716-H718 PolarHBondContact O-N 3.44Å; M716-T719 WeakPolarHBondContact CA-OG1 3.26Å; M716-T719 PolarHBondContact O-N 3.44Å; M716-T719 PolarHBondContact O-OG1 3.37Å; M716-E720 WeakPolarHBondContact O-CG 3.3Å; M716-E720 PolarHBondContact O-N 3.43Å
717F83.4Confident84.4Confident129 Ų129102.8 Ų102.857%0.56651%0.51SS*.Hα-helixtrans-60.9-35.1174.1179.1-97.2000112.3Q713 E720 Q721Q713-F717 VanDerWaalsContact O-CB 3.3Å; Q713-F717 WeakPolarHBondContact O-CB 3.4Å; Q713-F717 PolarHBondContact O-N 2.92Å; F717-E720 PolarHBondContact O-N 3.12Å; F717-Q721 VanDerWaalsContact O-CB 3.29Å; F717-Q721 WeakPolarHBondContact O-CB 3.4Å; F717-Q721 PolarHBondContact O-N 2.93Å
718H83.5Confident84.5Confident114 Ų114103.3 Ų103.353%0.52851%0.509SS..Hα-helixtrans-73.5-32.9177.8-146.438.3000112.1S714 E715 M716 Q721 M722S714-H718 WeakPolarHBondContact O-CB 3.41Å; S714-H718 PolarHBondContact O-N 3.12Å; E715-H718 PolarHBondContact O-N 3.06Å; E715-H718 VanDerWaalsContact O-N 3.15Å; M716-H718 VanDerWaalsContact C-N 3.27Å; M716-H718 PolarHBondContact O-N 3.44Å; H718-Q721 PolarHBondContact ND1-OE1 2.93Å; H718-M722 WeakPolarHBondContact O-CB 3.28Å; H718-M722 WeakPolarHBondContact O-CG 3.08Å; H718-M722 PolarHBondContact O-N 3.3Å
719T85Confident84.6Confident83 Ų83101.2 Ų101.251%0.50950%0.501SS..Hα-helixtrans-66.2-45.116735.20000112.6E715 M716 Q721 M722 E723E715-T719 PolarHBondContact O-N 2.97Å; E715-T719 PolarHBondContact O-OG1 3.12Å; M716-T719 WeakPolarHBondContact CA-OG1 3.26Å; M716-T719 PolarHBondContact O-N 3.44Å; M716-T719 PolarHBondContact O-OG1 3.37Å; T719-Q721 VanDerWaalsContact C-N 3.32Å; T719-Q721 PolarHBondContact O-N 3.35Å; T719-M722 PolarHBondContact O-N 3.37Å; T719-E723 WeakPolarHBondContact O-CG 3.46Å; T719-E723 PolarHBondContact O-N 2.91Å
720E83.3Confident84.6Confident105 Ų10599.4 Ų99.449%0.49150%0.497SS..Hα-helixtrans-60.4-41.2175.6-72175.3-177.200111.5M716 F717 E723 S724M716-E720 WeakPolarHBondContact O-CG 3.3Å; M716-E720 PolarHBondContact O-N 3.43Å; F717-E720 PolarHBondContact O-N 3.12Å; E720-E723 PolarHBondContact O-N 3.49Å; E720-S724 WeakPolarHBondContact O-CB 3.45Å; E720-S724 PolarHBondContact O-N 3.49Å
721Q85.3Confident84.7Confident66 Ų6695.9 Ų95.931%0.30849%0.491SS..Hα-helixtrans-59.9-51.8172.8-177.4-174.3-10.900110.9F717 H718 T719 E723 S724 E725F717-Q721 VanDerWaalsContact O-CB 3.29Å; F717-Q721 WeakPolarHBondContact O-CB 3.4Å; F717-Q721 PolarHBondContact O-N 2.93Å; H718-Q721 PolarHBondContact ND1-OE1 2.93Å; T719-Q721 VanDerWaalsContact C-N 3.32Å; T719-Q721 PolarHBondContact O-N 3.35Å; Q721-E723 VanDerWaalsContact C-N 3.31Å; Q721-E723 PolarHBondContact O-N 2.97Å; Q721-S724 WeakPolarHBondContact O-CB 3.41Å; Q721-S724 PolarHBondContact O-N 2.92Å; Q721-S724 VanDerWaalsContact O-N 3.08Å; Q721-S724 PolarHBondContact O-OG 3.42Å; Q721-E725 HydrophobicContact CG-CG 4.5Å; Q721-E725 WeakPolarHBondContact CG-OE1 3.46Å; Q721-E725 PolarHBondContact NE2-OE1 3.26Å; Q721-E725 WeakPolarHBondContact O-CG 3.35Å; Q721-E725 PolarHBondContact O-N 3.3Å
722M84.5Confident84.8Confident97 Ų9793.5 Ų93.548%0.47849%0.485SS..Hα-helixtrans-62.3-35.6179.7-74.6-73.1-71.500112.6H718 T719 N726H718-M722 WeakPolarHBondContact O-CB 3.28Å; H718-M722 WeakPolarHBondContact O-CG 3.08Å; H718-M722 PolarHBondContact O-N 3.3Å; T719-M722 PolarHBondContact O-N 3.37Å; M722-N726 WeakPolarHBondContact O-CB 3.14Å; M722-N726 PolarHBondContact O-N 3.06Å; M722-N726 PolarHBondContact O-ND2 3.14Å
723E84.4Confident84.8Confident131 Ų13195.5 Ų95.561%0.61249%0.487SS*.Hα-helixtrans-68.2-40.5171.6-73.2-169.8173.100111.7T719 E720 Q721 N726 N727T719-E723 WeakPolarHBondContact O-CG 3.46Å; T719-E723 PolarHBondContact O-N 2.91Å; E720-E723 PolarHBondContact O-N 3.49Å; Q721-E723 VanDerWaalsContact C-N 3.31Å; Q721-E723 PolarHBondContact O-N 2.97Å; E723-N726 PolarHBondContact O-N 2.98Å; E723-N727 WeakPolarHBondContact O-CB 3.47Å; E723-N727 PolarHBondContact O-N 3.47Å; E723-N727 PolarHBondContact O-ND2 2.98Å
724S81.9Confident85Confident53 Ų5396.9 Ų96.937%0.37149%0.491SS..Hα-helixtrans-62.9-41.6174.982.50000112.1E720 Q721 N727 I728E720-S724 WeakPolarHBondContact O-CB 3.45Å; E720-S724 PolarHBondContact O-N 3.49Å; Q721-S724 WeakPolarHBondContact O-CB 3.41Å; Q721-S724 PolarHBondContact O-N 2.92Å; Q721-S724 VanDerWaalsContact O-N 3.08Å; Q721-S724 PolarHBondContact O-OG 3.42Å; S724-N727 PolarHBondContact O-N 2.94Å; S724-I728 WeakPolarHBondContact O-CB 3.31Å; S724-I728 VanDerWaalsContact O-CG1 3.27Å; S724-I728 WeakPolarHBondContact O-CG1 3.01Å; S724-I728 PolarHBondContact O-N 3.36Å
725E85.8Confident85Confident83 Ų8398.8 Ų98.839%0.38850%0.495SS..Hα-helixtrans-67.7-42.1177.5-72.7-179.9-160.800111.3Q721 N727 I728 I729Q721-E725 HydrophobicContact CG-CG 4.5Å; Q721-E725 WeakPolarHBondContact CG-OE1 3.46Å; Q721-E725 PolarHBondContact NE2-OE1 3.26Å; Q721-E725 WeakPolarHBondContact O-CG 3.35Å; Q721-E725 PolarHBondContact O-N 3.3Å; E725-N727 VanDerWaalsContact C-N 3.34Å; E725-N727 PolarHBondContact O-N 3.36Å; E725-I728 PolarHBondContact O-N 2.91Å; E725-I729 WeakPolarHBondContact O-CB 3.39Å; E725-I729 WeakPolarHBondContact O-CD1 3.46Å; E725-I729 VanDerWaalsContact O-CG1 3.25Å; E725-I729 WeakPolarHBondContact O-CG1 3.28Å; E725-I729 PolarHBondContact O-N 3.04Å
726N87.3Confident85.1Confident96 Ų9699 Ų9951%0.51350%0.496SS..Hα-helixtrans-62.1-40.1172.5-82.9-64.6000112.3M722 E723 I729 A730M722-N726 WeakPolarHBondContact O-CB 3.14Å; M722-N726 PolarHBondContact O-N 3.06Å; M722-N726 PolarHBondContact O-ND2 3.14Å; E723-N726 PolarHBondContact O-N 2.98Å; N726-I729 PolarHBondContact O-N 3.26Å; N726-A730 WeakPolarHBondContact O-CB 3.37Å; N726-A730 PolarHBondContact O-N 3.43Å
727N87.4Confident85Confident105 Ų10598.2 Ų98.256%0.56150%0.497SS*.Hα-helixtrans-65.6-41.9174.8-78.9-47.6000111.9E723 S724 E725 I729 A730 V731E723-N727 WeakPolarHBondContact O-CB 3.47Å; E723-N727 PolarHBondContact O-N 3.47Å; E723-N727 PolarHBondContact O-ND2 2.98Å; S724-N727 PolarHBondContact O-N 2.94Å; E725-N727 VanDerWaalsContact C-N 3.34Å; E725-N727 PolarHBondContact O-N 3.36Å; N727-I729 PolarHBondContact O-N 2.95Å; N727-A730 PolarHBondContact O-N 3.46Å; N727-V731 WeakPolarHBondContact O-CG2 3.45Å; N727-V731 PolarHBondContact O-N 2.75Å
728I85Confident85Confident104 Ų10495.6 Ų95.653%0.53349%0.494SS..Hα-helixtrans-62-42.6174.1-71.6164000111.1S724 E725 V731 T732S724-I728 WeakPolarHBondContact O-CB 3.31Å; S724-I728 VanDerWaalsContact O-CG1 3.27Å; S724-I728 WeakPolarHBondContact O-CG1 3.01Å; S724-I728 PolarHBondContact O-N 3.36Å; E725-I728 PolarHBondContact O-N 2.91Å; I728-V731 PolarHBondContact O-N 2.89Å; I728-T732 VanDerWaalsContact O-CB 3.31Å; I728-T732 WeakPolarHBondContact O-CB 3.41Å; I728-T732 PolarHBondContact O-N 2.82Å; I728-T732 PolarHBondContact O-OG1 3.27Å
729I86.2Confident84.9Confident77 Ų7792.5 Ų92.540%0.39549%0.488SS..Hα-helixtrans-62.8-41.9174.6-70163.6000110.8E725 N726 N727 T732 R733E725-I729 WeakPolarHBondContact O-CB 3.39Å; E725-I729 WeakPolarHBondContact O-CD1 3.46Å; E725-I729 VanDerWaalsContact O-CG1 3.25Å; E725-I729 WeakPolarHBondContact O-CG1 3.28Å; E725-I729 PolarHBondContact O-N 3.04Å; N726-I729 PolarHBondContact O-N 3.26Å; N727-I729 PolarHBondContact O-N 2.95Å; I729-T732 PolarHBondContact O-N 2.86Å; I729-R733 WeakPolarHBondContact O-CB 3.26Å; I729-R733 WeakPolarHBondContact O-CG 3.47Å; I729-R733 PolarHBondContact O-N 2.83Å
730A85.7Confident84.9Confident42 Ų4293.6 Ų93.635%0.34749%0.49SS..Hα-helixtrans-65.8-40.9176.800000112.5N726 N727 R733 K734N726-A730 WeakPolarHBondContact O-CB 3.37Å; N726-A730 PolarHBondContact O-N 3.43Å; N727-A730 PolarHBondContact O-N 3.46Å; A730-R733 PolarHBondContact O-N 2.83Å; A730-K734 WeakPolarHBondContact O-CG 3.47Å; A730-K734 PolarHBondContact O-N 3.44Å
731V86.9Confident84.9Confident80 Ų8090.8 Ų90.849%0.48549%0.485SS..Hα-helixtrans-67.2-40.9174.61700000111.2N727 I728 R733 K734 L735N727-V731 WeakPolarHBondContact O-CG2 3.45Å; N727-V731 PolarHBondContact O-N 2.75Å; I728-V731 PolarHBondContact O-N 2.89Å; V731-R733 PolarHBondContact O-N 3.25Å; V731-K734 PolarHBondContact O-N 2.73Å; V731-L735 HydrophobicContact CG1-CD1 4.08Å; V731-L735 PolarHBondContact O-N 2.89Å
732T85.9Confident84.9Confident63 Ų6392.6 Ų92.639%0.38750%0.497SS..Hα-helixtrans-64.1-41.2176.4-61.90000111.4I728 I729 L735 Q736I728-T732 VanDerWaalsContact O-CB 3.31Å; I728-T732 WeakPolarHBondContact O-CB 3.41Å; I728-T732 PolarHBondContact O-N 2.82Å; I728-T732 PolarHBondContact O-OG1 3.27Å; I729-T732 PolarHBondContact O-N 2.86Å; T732-L735 PolarHBondContact O-N 3.46Å; T732-Q736 VanDerWaalsContact O-CG 3.31Å; T732-Q736 WeakPolarHBondContact O-CG 3.44Å; T732-Q736 PolarHBondContact O-N 2.8Å
733R85.1Confident85Confident164 Ų16493.2 Ų93.262%0.61950%0.502SS*.Hα-helixtrans-61.7-44.9172.1-75174.7-177.4160.83.6111.9I729 A730 V731 L735 Q736 T737I729-R733 WeakPolarHBondContact O-CB 3.26Å; I729-R733 WeakPolarHBondContact O-CG 3.47Å; I729-R733 PolarHBondContact O-N 2.83Å; A730-R733 PolarHBondContact O-N 2.83Å; V731-R733 PolarHBondContact O-N 3.25Å; R733-L735 PolarHBondContact O-N 2.88Å; R733-Q736 WeakPolarHBondContact O-CB 3.49Å; R733-Q736 PolarHBondContact O-N 2.94Å; R733-T737 PolarHBondContact O-N 2.87Å; R733-T737 PolarHBondContact O-OG1 3.19Å; R733-T737 VanDerWaalsContact O-OG1 3.11Å
734K86.2Confident85Confident149 Ų14993.1 Ų93.165%0.64850%0.502SS*.Hα-helixtrans-59.7-44.6174.9-74.7175.8179.1179.70112A730 V731 Q736 T737 C738A730-K734 WeakPolarHBondContact O-CG 3.47Å; A730-K734 PolarHBondContact O-N 3.44Å; V731-K734 PolarHBondContact O-N 2.73Å; K734-Q736 VanDerWaalsContact C-N 3.34Å; K734-Q736 PolarHBondContact O-N 3.19Å; K734-T737 PolarHBondContact O-N 3.01Å; K734-C738 PolarHBondContact O-N 3.22Å; K734-C738 PolarHBondContact O-SG 2.86Å; K734-C738 VanDerWaalsContact O-SG 3.33Å
735L81.9Confident85.2Confident115 Ų11595.5 Ų95.560%0.60251%0.51SS*.Hα-helixtrans-60.5-40.6174.8-81.4164.5000112.2V731 T732 R733 C738 A739V731-L735 HydrophobicContact CG1-CD1 4.08Å; V731-L735 PolarHBondContact O-N 2.89Å; T732-L735 PolarHBondContact O-N 3.46Å; R733-L735 PolarHBondContact O-N 2.88Å; L735-C738 PolarHBondContact O-N 2.75Å; L735-A739 WeakPolarHBondContact O-CB 3.49Å; L735-A739 PolarHBondContact O-N 2.77Å
736Q86.3Confident85.2Confident115 Ų11594.2 Ų94.254%0.53751%0.513SS..Hα-helixtrans-64.4-43.4173.9-72.9170.1-1200112T732 R733 K734 A739 L740T732-Q736 VanDerWaalsContact O-CG 3.31Å; T732-Q736 WeakPolarHBondContact O-CG 3.44Å; T732-Q736 PolarHBondContact O-N 2.8Å; R733-Q736 WeakPolarHBondContact O-CB 3.49Å; R733-Q736 PolarHBondContact O-N 2.94Å; K734-Q736 VanDerWaalsContact C-N 3.34Å; K734-Q736 PolarHBondContact O-N 3.19Å; Q736-A739 PolarHBondContact O-N 3.36Å; Q736-L740 WeakPolarHBondContact O-CG 3.47Å; Q736-L740 PolarHBondContact O-N 2.98Å
737T85.2Confident85Confident92 Ų9292.2 Ų92.256%0.56451%0.51SS*.Hα-helixtrans-60.9-44.2173.5-540000111.6R733 K734 L740 A741R733-T737 PolarHBondContact O-N 2.87Å; R733-T737 PolarHBondContact O-OG1 3.19Å; R733-T737 VanDerWaalsContact O-OG1 3.11Å; K734-T737 PolarHBondContact O-N 3.01Å; T737-L740 PolarHBondContact O-N 3.28Å; T737-A741 WeakPolarHBondContact O-CB 3.26Å; T737-A741 PolarHBondContact O-N 3.45Å
738C82.5Confident85Confident74 Ų7490.6 Ų90.650%0.551%0.506SS..Hα-helixtrans-65.9-36176.6-68.10000112.6K734 L735 A741 N742K734-C738 PolarHBondContact O-N 3.22Å; K734-C738 PolarHBondContact O-SG 2.86Å; K734-C738 VanDerWaalsContact O-SG 3.33Å; L735-C738 PolarHBondContact O-N 2.75Å; C738-A741 PolarHBondContact O-N 3.48Å; C738-N742 WeakPolarHBondContact O-CB 3.25Å; C738-N742 VanDerWaalsContact O-CG 3.3Å; C738-N742 PolarHBondContact O-N 2.9Å
739A81.1Confident85Confident49 Ų4989 Ų8941%0.40550%0.498SS..Hα-helixtrans-67-39.6174.700000112.1L735 Q736 N742 N743L735-A739 WeakPolarHBondContact O-CB 3.49Å; L735-A739 PolarHBondContact O-N 2.77Å; Q736-A739 PolarHBondContact O-N 3.36Å; A739-N742 PolarHBondContact O-N 3.17Å; A739-N743 VanDerWaalsContact O-CG 3.23Å; A739-N743 PolarHBondContact O-N 3.5Å; A739-N743 PolarHBondContact O-ND2 2.94Å; A739-N743 VanDerWaalsContact O-ND2 3.16Å
740L84.4Confident85Confident105 Ų10587.5 Ų87.555%0.5550%0.497SS..Hα-helixtrans-64.5-48.7172.6-70.2170.8000111.3Q736 T737 N742 N743 E744Q736-L740 WeakPolarHBondContact O-CG 3.47Å; Q736-L740 PolarHBondContact O-N 2.98Å; T737-L740 PolarHBondContact O-N 3.28Å; L740-N742 VanDerWaalsContact C-N 3.28Å; L740-N742 PolarHBondContact O-N 2.63Å; L740-N743 WeakPolarHBondContact O-CB 3.41Å; L740-N743 PolarHBondContact O-N 2.91Å; L740-E744 WeakPolarHBondContact O-CG 3.3Å; L740-E744 PolarHBondContact O-N 3.39Å
741A84.1Confident85Confident46 Ų4688.9 Ų88.938%0.3850%0.501SS..Hα-helixtrans-60.5-35.3176.700000112.8T737 C738 E744 L745T737-A741 WeakPolarHBondContact O-CB 3.26Å; T737-A741 PolarHBondContact O-N 3.45Å; C738-A741 PolarHBondContact O-N 3.48Å; A741-E744 PolarHBondContact O-N 2.97Å; A741-L745 VanDerWaalsContact O-CB 3.29Å; A741-L745 WeakPolarHBondContact O-CB 3.31Å; A741-L745 PolarHBondContact O-N 2.88Å
742N85.6Confident85Confident105 Ų10590 Ų9056%0.56150%0.504SS*.Hα-helixtrans-69.5-34.7173.2-79.5-4.3000112.6C738 A739 L740 A746C738-N742 WeakPolarHBondContact O-CB 3.25Å; C738-N742 VanDerWaalsContact O-CG 3.3Å; C738-N742 PolarHBondContact O-N 2.9Å; A739-N742 PolarHBondContact O-N 3.17Å; L740-N742 VanDerWaalsContact C-N 3.28Å; L740-N742 PolarHBondContact O-N 2.63Å; N742-A746 VanDerWaalsContact O-CB 3.25Å; N742-A746 WeakPolarHBondContact O-CB 3.38Å; N742-A746 PolarHBondContact O-N 2.76Å
743N86.3Confident85.1Confident109 Ų10994.3 Ų94.358%0.58351%0.513SS*.Hα-helixtrans-69.4-39.7173.4-69.2-31.1000111.5A739 L740 A746 A747A739-N743 VanDerWaalsContact O-CG 3.23Å; A739-N743 PolarHBondContact O-N 3.5Å; A739-N743 PolarHBondContact O-ND2 2.94Å; A739-N743 VanDerWaalsContact O-ND2 3.16Å; L740-N743 WeakPolarHBondContact O-CB 3.41Å; L740-N743 PolarHBondContact O-N 2.91Å; N743-A746 PolarHBondContact O-N 3.32Å; N743-A747 WeakPolarHBondContact O-CB 3.33Å; N743-A747 PolarHBondContact O-N 2.79Å
744E85.3Confident85.1Confident130 Ų13093 Ų9361%0.60751%0.514SS*.Hα-helixtrans-63.3-45.2172.7-70.5168.7-176.900111L740 A741 A746 A747 C748L740-E744 WeakPolarHBondContact O-CG 3.3Å; L740-E744 PolarHBondContact O-N 3.39Å; A741-E744 PolarHBondContact O-N 2.97Å; E744-A746 PolarHBondContact O-N 3.46Å; E744-A747 PolarHBondContact O-N 3.4Å; E744-C748 PolarHBondContact O-N 2.83Å; E744-C748 PolarHBondContact O-SG 3.18Å; E744-C748 VanDerWaalsContact O-SG 3.34Å
745L85.7Confident85.1Confident103 Ų10391.2 Ų91.254%0.53951%0.508SS..Hα-helixtrans-61.2-43174.2-168.380000111.7A741 A747 C748 I749A741-L745 VanDerWaalsContact O-CB 3.29Å; A741-L745 WeakPolarHBondContact O-CB 3.31Å; A741-L745 PolarHBondContact O-N 2.88Å; L745-A747 VanDerWaalsContact C-N 3.34Å; L745-A747 PolarHBondContact O-N 3.01Å; L745-C748 PolarHBondContact O-N 2.96Å; L745-I749 HydrophobicContact CD2-CD1 4.26Å; L745-I749 HydrophobicContact CG-CD1 3.99Å; L745-I749 WeakPolarHBondContact O-CB 3.35Å; L745-I749 VanDerWaalsContact O-CG1 3.25Å; L745-I749 WeakPolarHBondContact O-CG1 3.42Å; L745-I749 PolarHBondContact O-N 3.32Å
746A84.7Confident85.4Confident55 Ų5591.9 Ų91.946%0.45550%0.503SS..Hα-helixtrans-64.7-37.5176.900000112.2N742 N743 E744 I749 A750N742-A746 VanDerWaalsContact O-CB 3.25Å; N742-A746 WeakPolarHBondContact O-CB 3.38Å; N742-A746 PolarHBondContact O-N 2.76Å; N743-A746 PolarHBondContact O-N 3.32Å; E744-A746 PolarHBondContact O-N 3.46Å; A746-I749 PolarHBondContact O-N 2.68Å; A746-A750 PolarHBondContact O-N 3.03Å
747A84.2Confident85.5Confident55 Ų5589.7 Ų89.746%0.45549%0.494SS..Hα-helixtrans-65.3-45.9172.700000111.6N743 E744 L745 I749 A750 T751N743-A747 WeakPolarHBondContact O-CB 3.33Å; N743-A747 PolarHBondContact O-N 2.79Å; E744-A747 PolarHBondContact O-N 3.4Å; L745-A747 VanDerWaalsContact C-N 3.34Å; L745-A747 PolarHBondContact O-N 3.01Å; A747-I749 VanDerWaalsContact C-N 3.31Å; A747-I749 PolarHBondContact O-N 3.39Å; A747-A750 WeakPolarHBondContact O-CB 3.16Å; A747-A750 PolarHBondContact O-N 3Å; A747-A750 VanDerWaalsContact O-N 3.09Å; A747-T751 PolarHBondContact O-N 3.05Å; A747-T751 PolarHBondContact O-OG1 3.06Å
748C86.3Confident85.6Confident70 Ų7089.7 Ų89.747%0.47349%0.49SS..Hα-helixtrans-61.6-36.9174.2-70.10000112.6E744 L745 A750 T751 L752E744-C748 PolarHBondContact O-N 2.83Å; E744-C748 PolarHBondContact O-SG 3.18Å; E744-C748 VanDerWaalsContact O-SG 3.34Å; L745-C748 PolarHBondContact O-N 2.96Å; C748-A750 VanDerWaalsContact C-N 3.34Å; C748-T751 WeakPolarHBondContact CA-OG1 3.36Å; C748-T751 PolarHBondContact O-OG1 3.1Å; C748-T751 VanDerWaalsContact O-OG1 3.05Å; C748-L752 VanDerWaalsContact O-CB 3.28Å; C748-L752 WeakPolarHBondContact O-CB 3.43Å; C748-L752 WeakPolarHBondContact O-CD1 3.34Å; C748-L752 WeakPolarHBondContact O-CG 3.25Å; C748-L752 PolarHBondContact O-N 2.7Å
749I86.2Confident85.8Confident71 Ų7191.5 Ų91.536%0.36449%0.494SS..Hα-helixtrans-68.2-34.7173.7-71.6165.2000111L745 A746 A747 R753L745-I749 HydrophobicContact CD2-CD1 4.26Å; L745-I749 HydrophobicContact CG-CD1 3.99Å; L745-I749 WeakPolarHBondContact O-CB 3.35Å; L745-I749 VanDerWaalsContact O-CG1 3.25Å; L745-I749 WeakPolarHBondContact O-CG1 3.42Å; L745-I749 PolarHBondContact O-N 3.32Å; A746-I749 PolarHBondContact O-N 2.68Å; A747-I749 VanDerWaalsContact C-N 3.31Å; A747-I749 PolarHBondContact O-N 3.39Å; I749-R753 WeakPolarHBondContact O-CB 3.15Å; I749-R753 WeakPolarHBondContact O-CD 3.09Å; I749-R753 WeakPolarHBondContact O-CG 3.36Å; I749-R753 PolarHBondContact O-N 3.04Å
750A84.4Confident86.1Confident45 Ų4594.2 Ų94.237%0.37250%0.499SS..Hα-helixtrans-67.1-48.3173.800000111.5A746 A747 C748 L752 R753 E754A746-A750 PolarHBondContact O-N 3.03Å; A747-A750 WeakPolarHBondContact O-CB 3.16Å; A747-A750 PolarHBondContact O-N 3Å; A747-A750 VanDerWaalsContact O-N 3.09Å; C748-A750 VanDerWaalsContact C-N 3.34Å; A750-L752 PolarHBondContact O-N 2.91Å; A750-R753 WeakPolarHBondContact O-CB 3.32Å; A750-R753 PolarHBondContact O-N 3.12Å; A750-R753 VanDerWaalsContact O-N 3.11Å; A750-E754 PolarHBondContact O-N 3.42Å
751T87.1Confident86.2Confident71 Ų7194.2 Ų94.244%0.43650%0.499SS..Hα-helixtrans-63.9-39.9177.356.50000112.1A747 C748 R753 E754 E755A747-T751 PolarHBondContact O-N 3.05Å; A747-T751 PolarHBondContact O-OG1 3.06Å; C748-T751 WeakPolarHBondContact CA-OG1 3.36Å; C748-T751 PolarHBondContact O-OG1 3.1Å; C748-T751 VanDerWaalsContact O-OG1 3.05Å; T751-R753 VanDerWaalsContact C-N 3.27Å; T751-R753 PolarHBondContact O-N 3.19Å; T751-E754 PolarHBondContact O-N 3.48Å; T751-E755 WeakPolarHBondContact O-CB 3.49Å; T751-E755 WeakPolarHBondContact O-CG 3.33Å; T751-E755 PolarHBondContact O-N 3.23Å
752L85.8Confident86.3Confident105 Ų10597.6 Ų97.655%0.5551%0.505SS..Hα-helixtrans-65-29.6174.6-74.5169.2000112.7C748 A750 R756C748-L752 VanDerWaalsContact O-CB 3.28Å; C748-L752 WeakPolarHBondContact O-CB 3.43Å; C748-L752 WeakPolarHBondContact O-CD1 3.34Å; C748-L752 WeakPolarHBondContact O-CG 3.25Å; C748-L752 PolarHBondContact O-N 2.7Å; A750-L752 PolarHBondContact O-N 2.91Å; L752-R756 WeakPolarHBondContact O-CB 3.44Å; L752-R756 PolarHBondContact O-N 3.06Å
753R87.9Confident86.3Confident153 Ų15397.4 Ų97.458%0.57750%0.504SS*.Hα-helixtrans-71.1-46.3171.1-75.3167.6-178.3-168.61.2111.2I749 A750 T751 E755 R756 D757I749-R753 WeakPolarHBondContact O-CB 3.15Å; I749-R753 WeakPolarHBondContact O-CD 3.09Å; I749-R753 WeakPolarHBondContact O-CG 3.36Å; I749-R753 PolarHBondContact O-N 3.04Å; A750-R753 WeakPolarHBondContact O-CB 3.32Å; A750-R753 PolarHBondContact O-N 3.12Å; A750-R753 VanDerWaalsContact O-N 3.11Å; T751-R753 VanDerWaalsContact C-N 3.27Å; T751-R753 PolarHBondContact O-N 3.19Å; R753-E755 VanDerWaalsContact C-N 3.32Å; R753-E755 PolarHBondContact O-N 3.18Å; R753-R756 PolarHBondContact O-N 2.96Å; R753-D757 WeakPolarHBondContact O-CB 3.34Å; R753-D757 PolarHBondContact O-N 3.48Å; R753-D757 VanDerWaalsContact O-OD1 3.12Å
754E85.9Confident86.2Confident135 Ų13597.1 Ų97.163%0.63150%0.502SS*.Hα-helixtrans-60.7-40.2175.6-70.1177-175.500112.1A750 T751 L758A750-E754 PolarHBondContact O-N 3.42Å; T751-E754 PolarHBondContact O-N 3.48Å; E754-L758 WeakPolarHBondContact O-CB 3.48Å; E754-L758 PolarHBondContact O-N 2.88Å
755E87.1Confident86.1Confident113 Ų11397.4 Ų97.453%0.52850%0.503SS..Hα-helixtrans-65.8-42.8173.7-74.9-177.3160.700112.3T751 R753 L758 L759T751-E755 WeakPolarHBondContact O-CB 3.49Å; T751-E755 WeakPolarHBondContact O-CG 3.33Å; T751-E755 PolarHBondContact O-N 3.23Å; R753-E755 VanDerWaalsContact C-N 3.32Å; R753-E755 PolarHBondContact O-N 3.18Å; E755-L758 PolarHBondContact O-N 3.05Å; E755-L759 WeakPolarHBondContact O-CB 3.23Å; E755-L759 VanDerWaalsContact O-CG 3.25Å; E755-L759 WeakPolarHBondContact O-CG 3.39Å; E755-L759 PolarHBondContact O-N 3.14Å
756R87.9Confident86Confident129 Ų12994.8 Ų94.849%0.48750%0.497SS..Hα-helixtrans-63.8-45.9175.5-178.7-76.1-46.7-91.43.1111.2L752 R753 L758 L759 E760L752-R756 WeakPolarHBondContact O-CB 3.44Å; L752-R756 PolarHBondContact O-N 3.06Å; R753-R756 PolarHBondContact O-N 2.96Å; R756-L758 VanDerWaalsContact C-N 3.32Å; R756-L758 PolarHBondContact O-N 3.44Å; R756-L759 PolarHBondContact O-N 3.07Å; R756-E760 WeakPolarHBondContact O-CB 3.33Å; R756-E760 PolarHBondContact O-N 2.87Å
757D88.1Confident85.9Confident68 Ų6896.6 Ų96.636%0.36450%0.499SS..Hα-helixtrans-62.5-40176.5-65-0.5000110.6R753 E760 N761R753-D757 WeakPolarHBondContact O-CB 3.34Å; R753-D757 PolarHBondContact O-N 3.48Å; R753-D757 VanDerWaalsContact O-OD1 3.12Å; D757-E760 PolarHBondContact O-N 2.91Å; D757-N761 WeakPolarHBondContact O-CB 3.3Å; D757-N761 PolarHBondContact O-N 3.49Å; D757-N761 PolarHBondContact O-ND2 2.95Å
758L87.7Confident86Confident92 Ų9296 Ų9648%0.48250%0.498SS..Hα-helixtrans-67.9-38.1175.5179.462.7000112.4E754 E755 R756 K762E754-L758 WeakPolarHBondContact O-CB 3.48Å; E754-L758 PolarHBondContact O-N 2.88Å; E755-L758 PolarHBondContact O-N 3.05Å; R756-L758 VanDerWaalsContact C-N 3.32Å; R756-L758 PolarHBondContact O-N 3.44Å; L758-K762 HydrophobicContact CG-CD 4.31Å; L758-K762 WeakPolarHBondContact O-CB 3.24Å; L758-K762 WeakPolarHBondContact O-CD 3.32Å; L758-K762 WeakPolarHBondContact O-CG 3.37Å; L758-K762 PolarHBondContact O-N 3.39Å
759L85.6Confident85.8Confident112 Ų11295.1 Ų95.159%0.58649%0.49SS*.Hα-helixtrans-69.8-39.2174.9-75.9169.2000111.6E755 R756 K762 L763E755-L759 WeakPolarHBondContact O-CB 3.23Å; E755-L759 VanDerWaalsContact O-CG 3.25Å; E755-L759 WeakPolarHBondContact O-CG 3.39Å; E755-L759 PolarHBondContact O-N 3.14Å; R756-L759 PolarHBondContact O-N 3.07Å; L759-K762 PolarHBondContact O-N 3.39Å; L759-L763 VanDerWaalsContact O-CB 3.3Å; L759-L763 WeakPolarHBondContact O-CB 3.44Å; L759-L763 PolarHBondContact O-N 2.89Å
760E87Confident85.6Confident106 Ų10695 Ų9550%0.49550%0.496SS..Hα-helixtrans-65-44.7175.4-173.9166.1-170.600111.2R756 D757 K762 L763 L764R756-E760 WeakPolarHBondContact O-CB 3.33Å; R756-E760 PolarHBondContact O-N 2.87Å; D757-E760 PolarHBondContact O-N 2.91Å; E760-K762 PolarHBondContact O-N 3.29Å; E760-L763 PolarHBondContact O-N 3.31Å; E760-L764 HydrophobicContact CG-CD1 4.43Å; E760-L764 WeakPolarHBondContact O-CB 3.49Å; E760-L764 WeakPolarHBondContact O-CG 3.28Å; E760-L764 PolarHBondContact O-N 3.12Å
761N86.7Confident85.6Confident105 Ų10596.3 Ų96.356%0.56150%0.502SS*.Hα-helixtrans-62-39.8171.9-82.3-79.1000112.6D757 H765D757-N761 WeakPolarHBondContact O-CB 3.3Å; D757-N761 PolarHBondContact O-N 3.49Å; D757-N761 PolarHBondContact O-ND2 2.95Å; N761-H765 WeakPolarHBondContact O-CB 3.08Å; N761-H765 PolarHBondContact O-N 2.96Å
762K87.2Confident85.4Confident117 Ų11797 Ų9751%0.50950%0.503SS..Hα-helixtrans-64.7-37.8173.2-76.7165.7-178.1169.20112.1L758 L759 E760 H765 A766L758-K762 HydrophobicContact CG-CD 4.31Å; L758-K762 WeakPolarHBondContact O-CB 3.24Å; L758-K762 WeakPolarHBondContact O-CD 3.32Å; L758-K762 WeakPolarHBondContact O-CG 3.37Å; L758-K762 PolarHBondContact O-N 3.39Å; L759-K762 PolarHBondContact O-N 3.39Å; E760-K762 PolarHBondContact O-N 3.29Å; K762-H765 PolarHBondContact O-N 2.8Å; K762-A766 VanDerWaalsContact O-CB 3.31Å; K762-A766 WeakPolarHBondContact O-CB 3.43Å; K762-A766 PolarHBondContact O-N 3.28Å
763L84.9Confident85.3Confident101 Ų101100.5 Ų100.553%0.52951%0.509SS..Hα-helixtrans-73.5-37.8179.1-175143.2000111.7L759 E760 H765 A766 N767L759-L763 VanDerWaalsContact O-CB 3.3Å; L759-L763 WeakPolarHBondContact O-CB 3.44Å; L759-L763 PolarHBondContact O-N 2.89Å; E760-L763 PolarHBondContact O-N 3.31Å; L763-H765 VanDerWaalsContact C-N 3.35Å; L763-A766 PolarHBondContact O-N 3.46Å; L763-N767 WeakPolarHBondContact CD2-ND2 3.37Å; L763-N767 WeakPolarHBondContact O-CB 3.08Å; L763-N767 VanDerWaalsContact O-CG 3.23Å; L763-N767 PolarHBondContact O-N 3.2Å
764L84.6Confident85.1Confident104 Ų10498.9 Ų98.955%0.54551%0.508SS..Hα-helixtrans-62.1-41.6169.1-72.4168.7000111.4E760 N767 G768E760-L764 HydrophobicContact CG-CD1 4.43Å; E760-L764 WeakPolarHBondContact O-CB 3.49Å; E760-L764 WeakPolarHBondContact O-CG 3.28Å; E760-L764 PolarHBondContact O-N 3.12Å; L764-N767 PolarHBondContact O-N 3.4Å; L764-G768 PolarHBondContact O-N 3.36Å
765H82.9Confident85Confident135 Ų13595.8 Ų95.863%0.62550%0.501SS*.Hα-helixtrans-68.5-36.3174.3-16966.5000112.5N761 K762 L763 T769N761-H765 WeakPolarHBondContact O-CB 3.08Å; N761-H765 PolarHBondContact O-N 2.96Å; K762-H765 PolarHBondContact O-N 2.8Å; L763-H765 VanDerWaalsContact C-N 3.35Å; H765-T769 WeakPolarHBondContact O-CB 3.46Å; H765-T769 WeakPolarHBondContact O-CG2 3.49Å; H765-T769 PolarHBondContact O-N 2.85Å; H765-T769 PolarHBondContact O-OG1 2.71Å
766A82.7Confident84.9Confident49 Ų4995 Ų9541%0.40550%0.496SS..Hα-helixtrans-66.3-41.1173.500000111.9K762 L763 T769 S770K762-A766 VanDerWaalsContact O-CB 3.31Å; K762-A766 WeakPolarHBondContact O-CB 3.43Å; K762-A766 PolarHBondContact O-N 3.28Å; L763-A766 PolarHBondContact O-N 3.46Å; A766-T769 WeakPolarHBondContact CA-OG1 3.47Å; A766-T769 PolarHBondContact O-OG1 2.94Å; A766-S770 WeakPolarHBondContact O-CB 3.47Å; A766-S770 PolarHBondContact O-N 2.79Å
767N84.6Confident84.6Confident93 Ų9396.4 Ų96.450%0.49750%0.502SS..Hα-helixtrans-69.3-41.5176-72.6-9.9000111.6L763 L764 S770 S771L763-N767 WeakPolarHBondContact CD2-ND2 3.37Å; L763-N767 WeakPolarHBondContact O-CB 3.08Å; L763-N767 VanDerWaalsContact O-CG 3.23Å; L763-N767 PolarHBondContact O-N 3.2Å; L764-N767 PolarHBondContact O-N 3.4Å; N767-S770 PolarHBondContact O-N 2.79Å; N767-S771 WeakPolarHBondContact O-CB 3.47Å; N767-S771 PolarHBondContact O-N 2.9Å
768G84.4Confident84.5Confident43 Ų4396.4 Ų96.444%0.44350%0.503SS..Hα-helixtrans-59.8-50.3172.900000111.7L764 S770 S771 D772L764-G768 PolarHBondContact O-N 3.36Å; G768-S770 VanDerWaalsContact C-N 3.34Å; G768-S770 PolarHBondContact O-N 2.91Å; G768-S771 PolarHBondContact O-N 3.3Å; G768-D772 WeakPolarHBondContact O-CB 3.41Å; G768-D772 PolarHBondContact O-N 2.77Å
769T83.1Confident84.1Confident51 Ų5193.5 Ų93.531%0.31349%0.492SS..Hα-helixtrans-67-31.5176.351.40000113.1H765 A766 D772 W773H765-T769 WeakPolarHBondContact O-CB 3.46Å; H765-T769 WeakPolarHBondContact O-CG2 3.49Å; H765-T769 PolarHBondContact O-N 2.85Å; H765-T769 PolarHBondContact O-OG1 2.71Å; A766-T769 WeakPolarHBondContact CA-OG1 3.47Å; A766-T769 PolarHBondContact O-OG1 2.94Å; T769-D772 VanDerWaalsContact O-CB 3.3Å; T769-D772 WeakPolarHBondContact O-CB 3.39Å; T769-D772 PolarHBondContact O-N 2.85Å; T769-W773 WeakPolarHBondContact O-CB 3.45Å; T769-W773 PolarHBondContact O-N 3.43Å
770S82.1Confident83.7Confident68 Ų6890.4 Ų90.448%0.47648%0.483SS..Hα-helixtrans-65.7-45.4172.4-171.30000111.6A766 N767 G768 D772 W773 E774A766-S770 WeakPolarHBondContact O-CB 3.47Å; A766-S770 PolarHBondContact O-N 2.79Å; N767-S770 PolarHBondContact O-N 2.79Å; G768-S770 VanDerWaalsContact C-N 3.34Å; G768-S770 PolarHBondContact O-N 2.91Å; S770-D772 VanDerWaalsContact C-N 3.31Å; S770-D772 PolarHBondContact O-N 2.86Å; S770-W773 CarbonylContact O-C 3.55Å; S770-W773 WeakPolarHBondContact O-CA 3.49Å; S770-W773 PolarHBondContact O-N 2.86Å; S770-W773 VanDerWaalsContact O-N 3.1Å; S770-E774 WeakPolarHBondContact O-CB 3.44Å; S770-E774 PolarHBondContact O-N 3.4Å
771S83.6Confident83.4Confident72 Ų7287.6 Ų87.650%0.50347%0.472SS..Hα-helixtrans-64.5-36.3174.3-1690000111.9N767 G768 E774 S775N767-S771 WeakPolarHBondContact O-CB 3.47Å; N767-S771 PolarHBondContact O-N 2.9Å; G768-S771 PolarHBondContact O-N 3.3Å; S771-E774 PolarHBondContact O-N 2.79Å; S771-S775 WeakPolarHBondContact O-CB 3.27Å; S771-S775 PolarHBondContact O-N 3.47Å
772D83.2Confident83.1Confident85 Ų8590 Ų9046%0.45547%0.474SS..Hα-helixtrans-60.7-42.5169.8-121.933.5000111.9G768 T769 S770 K776G768-D772 WeakPolarHBondContact O-CB 3.41Å; G768-D772 PolarHBondContact O-N 2.77Å; T769-D772 VanDerWaalsContact O-CB 3.3Å; T769-D772 WeakPolarHBondContact O-CB 3.39Å; T769-D772 PolarHBondContact O-N 2.85Å; S770-D772 VanDerWaalsContact C-N 3.31Å; S770-D772 PolarHBondContact O-N 2.86Å; D772-K776 WeakPolarHBondContact O-CB 3.27Å; D772-K776 VanDerWaalsContact O-CD 3.23Å; D772-K776 WeakPolarHBondContact O-CD 3.37Å; D772-K776 WeakPolarHBondContact O-CG 3.44Å; D772-K776 PolarHBondContact O-N 3.24Å; D772-K776 IonicContact OD2-NZ 3.28Å; D772-K776 PolarHBondContact OD2-NZ 3.49Å
773W84.8Confident82.6Confident180 Ų18090.1 Ų90.168%0.68248%0.476SS*.Hα-helixtrans-71.3-36.8176.4-83.3118.7000112.7T769 S770 K776 Y777T769-W773 WeakPolarHBondContact O-CB 3.45Å; T769-W773 PolarHBondContact O-N 3.43Å; S770-W773 CarbonylContact O-C 3.55Å; S770-W773 WeakPolarHBondContact O-CA 3.49Å; S770-W773 PolarHBondContact O-N 2.86Å; S770-W773 VanDerWaalsContact O-N 3.1Å; W773-K776 HydrophobicContact CE3-CD 4.32Å; W773-K776 PolarHBondContact O-N 3.05Å; W773-Y777 WeakPolarHBondContact O-CB 3.39Å; W773-Y777 PolarHBondContact O-N 2.89Å
774E83.5Confident82.2Confident118 Ų11888.2 Ų88.255%0.55147%0.471SS*.Hα-helixtrans-67-42.2172.9-179.4176.7-164.400110.8S770 S771 Y777 N778S770-E774 WeakPolarHBondContact O-CB 3.44Å; S770-E774 PolarHBondContact O-N 3.4Å; S771-E774 PolarHBondContact O-N 2.79Å; E774-Y777 PolarHBondContact O-N 2.7Å; E774-N778 WeakPolarHBondContact CG-ND2 3.49Å; E774-N778 VanDerWaalsContact O-CB 3.27Å; E774-N778 WeakPolarHBondContact O-CB 3.31Å; E774-N778 VanDerWaalsContact O-CG 3.32Å; E774-N778 PolarHBondContact O-N 2.95Å; E774-N778 PolarHBondContact O-ND2 3.43Å; E774-N778 VanDerWaalsContact O-ND2 3.14Å
775S82.3Confident82Confident70 Ų7087.8 Ų87.849%0.4947%0.469SS..Hα-helixtrans-61.8-44.7173.4-174.20000111.4S771 N778 A779S771-S775 WeakPolarHBondContact O-CB 3.27Å; S771-S775 PolarHBondContact O-N 3.47Å; S775-N778 PolarHBondContact O-N 2.91Å; S775-A779 WeakPolarHBondContact O-CB 3.45Å; S775-A779 PolarHBondContact O-N 3.42Å
776K85Confident81.9Confident98 Ų9887.8 Ų87.843%0.42647%0.47SS..Hα-helixtrans-64.6-39.2173.2-72.5159.1-161.8156.60112.4D772 W773 A779 A780D772-K776 WeakPolarHBondContact O-CB 3.27Å; D772-K776 VanDerWaalsContact O-CD 3.23Å; D772-K776 WeakPolarHBondContact O-CD 3.37Å; D772-K776 WeakPolarHBondContact O-CG 3.44Å; D772-K776 PolarHBondContact O-N 3.24Å; D772-K776 IonicContact OD2-NZ 3.28Å; D772-K776 PolarHBondContact OD2-NZ 3.49Å; W773-K776 HydrophobicContact CE3-CD 4.32Å; W773-K776 PolarHBondContact O-N 3.05Å; K776-A779 PolarHBondContact O-N 3.24Å; K776-A780 VanDerWaalsContact O-CB 3.29Å; K776-A780 WeakPolarHBondContact O-CB 3.31Å; K776-A780 PolarHBondContact O-N 3.2Å
777Y83.2Confident81.7Confident157 Ų15790.2 Ų90.262%0.61648%0.475SS*.Hα-helixtrans-66.9-42.4175.5175.7-95.4000111.4W773 E774 A779 A780 T781W773-Y777 WeakPolarHBondContact O-CB 3.39Å; W773-Y777 PolarHBondContact O-N 2.89Å; E774-Y777 PolarHBondContact O-N 2.7Å; Y777-A779 VanDerWaalsContact C-N 3.33Å; Y777-A780 PolarHBondContact O-N 3.49Å; Y777-T781 WeakPolarHBondContact O-CB 3.4Å; Y777-T781 PolarHBondContact O-N 3.48Å; Y777-T781 PolarHBondContact O-OG1 2.9Å
778N85Confident81.4Confident69 Ų6989 Ų8937%0.36947%0.47SS..Hα-helixtrans-71.3-26.9175.3-74.6-38.5000112.2E774 S775 R782E774-N778 WeakPolarHBondContact CG-ND2 3.49Å; E774-N778 VanDerWaalsContact O-CB 3.27Å; E774-N778 WeakPolarHBondContact O-CB 3.31Å; E774-N778 VanDerWaalsContact O-CG 3.32Å; E774-N778 PolarHBondContact O-N 2.95Å; E774-N778 PolarHBondContact O-ND2 3.43Å; E774-N778 VanDerWaalsContact O-ND2 3.14Å; S775-N778 PolarHBondContact O-N 2.91Å; N778-R782 WeakPolarHBondContact O-CG 3.28Å; N778-R782 PolarHBondContact O-N 2.98Å; N778-R782 PolarHBondContact O-NE 2.88Å
779A79.8Confident81.2Confident30 Ų3090.7 Ų90.725%0.24848%0.476CS..Hα-helixtrans-70.2-53.5167.800000111S775 K776 Y777 T781 R782 E783S775-A779 WeakPolarHBondContact O-CB 3.45Å; S775-A779 PolarHBondContact O-N 3.42Å; K776-A779 PolarHBondContact O-N 3.24Å; Y777-A779 VanDerWaalsContact C-N 3.33Å; A779-T781 PolarHBondContact O-N 2.94Å; A779-R782 CarbonylContact O-C 3.58Å; A779-R782 WeakPolarHBondContact O-CA 3.25Å; A779-R782 WeakPolarHBondContact O-CB 3.25Å; A779-R782 PolarHBondContact O-N 2.91Å; A779-E783 WeakPolarHBondContact O-CG 3.4Å; A779-E783 PolarHBondContact O-N 3.01Å
780A78.1Confident80.9Confident48 Ų4891 Ų9140%0.39748%0.48SS..Hα-helixtrans-60.7-29.9176.600000113K776 Y777 S784K776-A780 VanDerWaalsContact O-CB 3.29Å; K776-A780 WeakPolarHBondContact O-CB 3.31Å; K776-A780 PolarHBondContact O-N 3.2Å; Y777-A780 PolarHBondContact O-N 3.49Å; A780-S784 WeakPolarHBondContact O-CB 3.46Å; A780-S784 PolarHBondContact O-N 3.35Å
781T80Confident80.7Confident46 Ų4691.6 Ų91.628%0.28248%0.477SS..Hα-helixtrans-73-36.2172.6-60.40000111.4Y777 A779 N785Y777-T781 WeakPolarHBondContact O-CB 3.4Å; Y777-T781 PolarHBondContact O-N 3.48Å; Y777-T781 PolarHBondContact O-OG1 2.9Å; A779-T781 PolarHBondContact O-N 2.94Å; T781-N785 VanDerWaalsContact O-CB 3.29Å; T781-N785 WeakPolarHBondContact O-CB 3.26Å; T781-N785 PolarHBondContact O-N 2.91Å; T781-N785 PolarHBondContact O-ND2 2.82Å
782R79.3Confident80.3Confident157 Ų15791.6 Ų91.659%0.59247%0.472SS*.Hα-helixtrans-68-44.1171.1-80.3173.4-74.5163.7-3.1111.6N778 A779 N785 Q786N778-R782 WeakPolarHBondContact O-CG 3.28Å; N778-R782 PolarHBondContact O-N 2.98Å; N778-R782 PolarHBondContact O-NE 2.88Å; A779-R782 CarbonylContact O-C 3.58Å; A779-R782 WeakPolarHBondContact O-CA 3.25Å; A779-R782 WeakPolarHBondContact O-CB 3.25Å; A779-R782 PolarHBondContact O-N 2.91Å; R782-N785 PolarHBondContact O-N 3.08Å; R782-Q786 VanDerWaalsContact O-CB 3.28Å; R782-Q786 WeakPolarHBondContact O-CB 3.32Å; R782-Q786 PolarHBondContact O-N 3.23Å
783E77.8Confident80Confident118 Ų11892 Ų9255%0.55147%0.473SS*.Hα-helixtrans-60-47172.7-70.3171.4179.400111A779 N785 Q786 I787A779-E783 WeakPolarHBondContact O-CG 3.4Å; A779-E783 PolarHBondContact O-N 3.01Å; E783-N785 PolarHBondContact O-N 3.31Å; E783-Q786 CarbonylContact O-C 3.59Å; E783-Q786 PolarHBondContact O-N 2.85Å; E783-I787 WeakPolarHBondContact O-CB 3.23Å; E783-I787 VanDerWaalsContact O-CG1 3.24Å; E783-I787 WeakPolarHBondContact O-CG1 3.1Å; E783-I787 PolarHBondContact O-N 3.28Å
784S75.4Confident79.6Confident61 Ų6186 Ų8643%0.42745%0.454SS..Hα-helixtrans-60.5-44.8175.6-176.50000112A780 Q786 I787 V788A780-S784 WeakPolarHBondContact O-CB 3.46Å; A780-S784 PolarHBondContact O-N 3.35Å; S784-Q786 VanDerWaalsContact C-N 3.34Å; S784-Q786 PolarHBondContact O-N 3.43Å; S784-I787 CarbonylContact O-C 3.55Å; S784-I787 PolarHBondContact O-N 3.03Å; S784-V788 WeakPolarHBondContact O-CB 3.27Å; S784-V788 VanDerWaalsContact O-CG2 3.31Å; S784-V788 WeakPolarHBondContact O-CG2 3.29Å; S784-V788 PolarHBondContact O-N 3.38Å
785N81.6Confident79.5Confident95 Ų9587.4 Ų87.451%0.50845%0.454SS..Hα-helixtrans-64.3-38.1174.6-75-24000112T781 R782 E783 V788 S789T781-N785 VanDerWaalsContact O-CB 3.29Å; T781-N785 WeakPolarHBondContact O-CB 3.26Å; T781-N785 PolarHBondContact O-N 2.91Å; T781-N785 PolarHBondContact O-ND2 2.82Å; R782-N785 PolarHBondContact O-N 3.08Å; E783-N785 PolarHBondContact O-N 3.31Å; N785-V788 PolarHBondContact O-N 3.36Å; N785-S789 WeakPolarHBondContact O-CB 3.35Å; N785-S789 PolarHBondContact O-N 2.82Å; N785-S789 PolarHBondContact O-OG 3.27Å; N785-S789 VanDerWaalsContact O-OG 3.06Å
786Q79.9Confident79.3Confident136 Ų13687.8 Ų87.864%0.63645%0.449SS*.Hα-helixtrans-67.8-38174.8-174.3172.2-12.400111.7R782 E783 S784 S789 S790R782-Q786 VanDerWaalsContact O-CB 3.28Å; R782-Q786 WeakPolarHBondContact O-CB 3.32Å; R782-Q786 PolarHBondContact O-N 3.23Å; E783-Q786 CarbonylContact O-C 3.59Å; E783-Q786 PolarHBondContact O-N 2.85Å; S784-Q786 VanDerWaalsContact C-N 3.34Å; S784-Q786 PolarHBondContact O-N 3.43Å; Q786-S789 PolarHBondContact O-N 2.83Å; Q786-S790 WeakPolarHBondContact O-CB 3.43Å; Q786-S790 PolarHBondContact O-N 3.2Å; Q786-S790 PolarHBondContact O-OG 2.95Å; Q786-S790 VanDerWaalsContact O-OG 3.1Å
787I78.8Confident78.9Confident100 Ų10086.7 Ų86.751%0.51345%0.445SS..Hα-helixtrans-65.9-41.5171.8-70.8162.7000110.4E783 S784 S790 L791E783-I787 WeakPolarHBondContact O-CB 3.23Å; E783-I787 VanDerWaalsContact O-CG1 3.24Å; E783-I787 WeakPolarHBondContact O-CG1 3.1Å; E783-I787 PolarHBondContact O-N 3.28Å; S784-I787 CarbonylContact O-C 3.55Å; S784-I787 PolarHBondContact O-N 3.03Å; I787-S790 CarbonylContact O-C 3.49Å; I787-S790 PolarHBondContact O-N 3.32Å; I787-L791 HydrophobicContact CG2-CD1 3.86Å; I787-L791 HydrophobicContact CG2-CG 4.28Å; I787-L791 VanDerWaalsContact O-CB 3.3Å; I787-L791 WeakPolarHBondContact O-CB 3.43Å; I787-L791 VanDerWaalsContact O-CG 3.26Å; I787-L791 WeakPolarHBondContact O-CG 3.15Å; I787-L791 PolarHBondContact O-N 3.41Å
788V78.5Confident78.8Confident66 Ų6682.5 Ų82.540%0.444%0.435SS..Hα-helixtrans-65.9-40.7175.1167.80000111.3S784 N785 L791 N792S784-V788 WeakPolarHBondContact O-CB 3.27Å; S784-V788 VanDerWaalsContact O-CG2 3.31Å; S784-V788 WeakPolarHBondContact O-CG2 3.29Å; S784-V788 PolarHBondContact O-N 3.38Å; N785-V788 PolarHBondContact O-N 3.36Å; V788-L791 PolarHBondContact O-N 3.45Å; V788-N792 WeakPolarHBondContact O-CB 3.26Å; V788-N792 VanDerWaalsContact O-CG 3.29Å; V788-N792 PolarHBondContact O-N 3.16Å; V788-N792 PolarHBondContact O-ND2 3.46Å
789S79.5Confident78.7Confident79 Ų7980.8 Ų80.855%0.55243%0.425SS*.Hα-helixtrans-61.2-46.1171.5-66.30000111.5N785 Q786 N792 L793N785-S789 WeakPolarHBondContact O-CB 3.35Å; N785-S789 PolarHBondContact O-N 2.82Å; N785-S789 PolarHBondContact O-OG 3.27Å; N785-S789 VanDerWaalsContact O-OG 3.06Å; Q786-S789 PolarHBondContact O-N 2.83Å; S789-N792 PolarHBondContact O-N 3.42Å; S789-L793 WeakPolarHBondContact O-CB 3.38Å; S789-L793 PolarHBondContact O-N 3.17Å
790S78Confident78.6Confident58 Ų5881.8 Ų81.841%0.40643%0.428SS..Hα-helixtrans-63.4-40.4174.8-69.50000112.5Q786 I787 L793 I794Q786-S790 WeakPolarHBondContact O-CB 3.43Å; Q786-S790 PolarHBondContact O-N 3.2Å; Q786-S790 PolarHBondContact O-OG 2.95Å; Q786-S790 VanDerWaalsContact O-OG 3.1Å; I787-S790 CarbonylContact O-C 3.49Å; I787-S790 PolarHBondContact O-N 3.32Å; S790-L793 WeakPolarHBondContact O-CB 3.31Å; S790-L793 PolarHBondContact O-N 2.97Å; S790-I794 WeakPolarHBondContact O-CB 3.49Å; S790-I794 WeakPolarHBondContact O-CD1 3.37Å; S790-I794 WeakPolarHBondContact O-CG1 3.48Å; S790-I794 PolarHBondContact O-N 3.19Å
791L77.3Confident78.7Confident81 Ų8184.7 Ų84.742%0.42444%0.436SS..Hα-helixtrans-68.2-34.6176.5-77.2171.1000112.2I787 V788 R795I787-L791 HydrophobicContact CG2-CD1 3.86Å; I787-L791 HydrophobicContact CG2-CG 4.28Å; I787-L791 VanDerWaalsContact O-CB 3.3Å; I787-L791 WeakPolarHBondContact O-CB 3.43Å; I787-L791 VanDerWaalsContact O-CG 3.26Å; I787-L791 WeakPolarHBondContact O-CG 3.15Å; I787-L791 PolarHBondContact O-N 3.41Å; V788-L791 PolarHBondContact O-N 3.45Å; L791-R795 WeakPolarHBondContact O-CB 3.19Å; L791-R795 VanDerWaalsContact O-CG 3.26Å; L791-R795 WeakPolarHBondContact O-CG 3.49Å; L791-R795 PolarHBondContact O-N 3.3Å
792N75.7Confident78.6Confident71 Ų7187.2 Ų87.238%0.3845%0.445SS..Hα-helixtrans-69.7-38.9171.2-72.7-26.1000111.2V788 S789 R795 E796V788-N792 WeakPolarHBondContact O-CB 3.26Å; V788-N792 VanDerWaalsContact O-CG 3.29Å; V788-N792 PolarHBondContact O-N 3.16Å; V788-N792 PolarHBondContact O-ND2 3.46Å; S789-N792 PolarHBondContact O-N 3.42Å; N792-R795 PolarHBondContact O-N 3.35Å; N792-R795 PolarHBondContact OD1-NH1 3.11Å; N792-E796 PolarHBondContact O-N 3.15Å
793L76.6Confident78.5Confident93 Ų9382.1 Ų82.149%0.48743%0.428SS..Hα-helixtrans-61.3-45.5172.5-152.976.4000111.3K186 S789 S790 R795 E796 E797K186-L793 VanDerWaalsContact NZ-CD2 3.29Å; S789-L793 WeakPolarHBondContact O-CB 3.38Å; S789-L793 PolarHBondContact O-N 3.17Å; S790-L793 WeakPolarHBondContact O-CB 3.31Å; S790-L793 PolarHBondContact O-N 2.97Å; L793-R795 VanDerWaalsContact C-N 3.32Å; L793-R795 PolarHBondContact O-N 3.3Å; L793-E796 PolarHBondContact O-N 2.87Å; L793-E797 WeakPolarHBondContact O-CB 3.42Å; L793-E797 WeakPolarHBondContact O-CG 3.14Å; L793-E797 PolarHBondContact O-N 3.49Å
794I76.8Confident78.5Confident55 Ų5580.1 Ų80.128%0.28242%0.419SS..Hα-helixtrans-62.6-36.3174.7-69.1160.2000111S790 E797 V798S790-I794 WeakPolarHBondContact O-CB 3.49Å; S790-I794 WeakPolarHBondContact O-CD1 3.37Å; S790-I794 WeakPolarHBondContact O-CG1 3.48Å; S790-I794 PolarHBondContact O-N 3.19Å; I794-E797 PolarHBondContact O-N 3.41Å; I794-V798 HydrophobicContact CG2-CG2 4.31Å; I794-V798 WeakPolarHBondContact O-CB 3.22Å; I794-V798 VanDerWaalsContact O-CG2 3.24Å; I794-V798 WeakPolarHBondContact O-CG2 3.26Å; I794-V798 PolarHBondContact O-N 3.41Å
795R80.4Confident79Confident147 Ų14783.6 Ų83.656%0.55543%0.426SS*.Hα-helixtrans-66.4-40.8174.4-78.6169.4-176.3155.7-1.5112.6L791 N792 L793 K799L791-R795 WeakPolarHBondContact O-CB 3.19Å; L791-R795 VanDerWaalsContact O-CG 3.26Å; L791-R795 WeakPolarHBondContact O-CG 3.49Å; L791-R795 PolarHBondContact O-N 3.3Å; N792-R795 PolarHBondContact O-N 3.35Å; N792-R795 PolarHBondContact OD1-NH1 3.11Å; L793-R795 VanDerWaalsContact C-N 3.32Å; L793-R795 PolarHBondContact O-N 3.3Å; R795-K799 WeakPolarHBondContact O-CB 3.22Å; R795-K799 WeakPolarHBondContact O-CG 3.3Å; R795-K799 PolarHBondContact O-N 2.96Å
796E78.3Confident79Confident79 Ų7981.7 Ų81.737%0.36942%0.423SS..Hα-helixtrans-74.1-31.6175.3-58.3-50.6123.800111.8N792 L793 K799 T800N792-E796 PolarHBondContact O-N 3.15Å; L793-E796 PolarHBondContact O-N 2.87Å; E796-K799 VanDerWaalsContact CD-NZ 3.29Å; E796-K799 PolarHBondContact O-N 2.92Å; E796-K799 WeakPolarHBondContact OE1-CD 3.44Å; E796-K799 WeakPolarHBondContact OE1-CE 3.3Å; E796-K799 IonicContact OE1-NZ 2.73Å; E796-K799 PolarHBondContact OE1-NZ 2.95Å; E796-K799 WeakPolarHBondContact OE2-CD 3.17Å; E796-K799 IonicContact OE2-NZ 2.88Å; E796-K799 PolarHBondContact OE2-NZ 3.27Å; E796-T800 WeakPolarHBondContact O-CB 3.45Å; E796-T800 WeakPolarHBondContact O-CG2 3.38Å; E796-T800 PolarHBondContact O-N 2.99Å; E796-T800 PolarHBondContact O-OG1 3.31Å
797E77Confident79Confident74 Ų7478.2 Ų78.235%0.34641%0.407SS..Hα-helixtrans-64.2-44.4168.6-74.8175.8161.100111.4K186 L793 I794 T800 L801K186-E797 IonicContact NZ-OE1 2.69Å; K186-E797 PolarHBondContact NZ-OE1 3.35Å; K186-E797 IonicContact NZ-OE2 3.21Å; L793-E797 WeakPolarHBondContact O-CB 3.42Å; L793-E797 WeakPolarHBondContact O-CG 3.14Å; L793-E797 PolarHBondContact O-N 3.49Å; I794-E797 PolarHBondContact O-N 3.41Å; E797-T800 WeakPolarHBondContact CA-OG1 3.3Å; E797-T800 PolarHBondContact O-N 2.97Å; E797-T800 PolarHBondContact O-OG1 3.27Å; E797-L801 WeakPolarHBondContact O-CB 3.43Å; E797-L801 VanDerWaalsContact O-CG 3.3Å; E797-L801 WeakPolarHBondContact O-CG 3.38Å; E797-L801 PolarHBondContact O-N 3.32Å
798V81.5Confident79.1Confident69 Ų6979.4 Ų79.442%0.41841%0.414SS..Hα-helixtrans-64.1-44173.7167.40000111.2I794 T800 L801 E802I794-V798 HydrophobicContact CG2-CG2 4.31Å; I794-V798 WeakPolarHBondContact O-CB 3.22Å; I794-V798 VanDerWaalsContact O-CG2 3.24Å; I794-V798 WeakPolarHBondContact O-CG2 3.26Å; I794-V798 PolarHBondContact O-N 3.41Å; V798-T800 VanDerWaalsContact C-N 3.31Å; V798-T800 PolarHBondContact O-N 3.45Å; V798-L801 CarbonylContact O-C 3.57Å; V798-L801 PolarHBondContact O-N 2.92Å; V798-E802 HydrophobicContact CG1-CG 4.36Å; V798-E802 WeakPolarHBondContact O-CB 3.38Å; V798-E802 WeakPolarHBondContact O-CG 3.4Å; V798-E802 PolarHBondContact O-N 3.37Å
799K82Confident79.2Confident33 Ų3382 Ų8214%0.14342%0.422CS..Hα-helixtrans-59.5-40.1173.6-79170.3174.6-178.30112.4Y91 R795 E796 E802 M803Y91-K799 PolarHBondContact OH-NZ 2.77Å; R795-K799 WeakPolarHBondContact O-CB 3.22Å; R795-K799 WeakPolarHBondContact O-CG 3.3Å; R795-K799 PolarHBondContact O-N 2.96Å; E796-K799 VanDerWaalsContact CD-NZ 3.29Å; E796-K799 PolarHBondContact O-N 2.92Å; E796-K799 WeakPolarHBondContact OE1-CD 3.44Å; E796-K799 WeakPolarHBondContact OE1-CE 3.3Å; E796-K799 IonicContact OE1-NZ 2.73Å; E796-K799 PolarHBondContact OE1-NZ 2.95Å; E796-K799 WeakPolarHBondContact OE2-CD 3.17Å; E796-K799 IonicContact OE2-NZ 2.88Å; E796-K799 PolarHBondContact OE2-NZ 3.27Å; K799-E802 PolarHBondContact O-N 3.06Å; K799-M803 VanDerWaalsContact O-CB 3.31Å; K799-M803 WeakPolarHBondContact O-CB 3.45Å; K799-M803 PolarHBondContact O-N 3.42Å
800T77.8Confident79.3Confident52 Ų5284.1 Ų84.132%0.31943%0.426SS..Hα-helixtrans-72.6-30.4177.247.60000112.1E796 E797 V798 M803 Q804E796-T800 WeakPolarHBondContact O-CB 3.45Å; E796-T800 WeakPolarHBondContact O-CG2 3.38Å; E796-T800 PolarHBondContact O-N 2.99Å; E796-T800 PolarHBondContact O-OG1 3.31Å; E797-T800 WeakPolarHBondContact CA-OG1 3.3Å; E797-T800 PolarHBondContact O-N 2.97Å; E797-T800 PolarHBondContact O-OG1 3.27Å; V798-T800 VanDerWaalsContact C-N 3.31Å; V798-T800 PolarHBondContact O-N 3.45Å; T800-M803 HydrophobicContact CG2-CE 4.06Å; T800-M803 PolarHBondContact O-N 2.92Å; T800-Q804 WeakPolarHBondContact O-CB 3.45Å; T800-Q804 VanDerWaalsContact O-CG 3.26Å; T800-Q804 WeakPolarHBondContact O-CG 3.39Å; T800-Q804 PolarHBondContact O-N 3.11Å
801L80.4Confident79.5Confident108 Ų10885.2 Ų85.257%0.56543%0.427SS*.Hα-helixtrans-72.7-34.6169.4-68.8169.7000112.9E797 V798 K805E797-L801 WeakPolarHBondContact O-CB 3.43Å; E797-L801 VanDerWaalsContact O-CG 3.3Å; E797-L801 WeakPolarHBondContact O-CG 3.38Å; E797-L801 PolarHBondContact O-N 3.32Å; V798-L801 CarbonylContact O-C 3.57Å; V798-L801 PolarHBondContact O-N 2.92Å; L801-K805 WeakPolarHBondContact O-CB 3.05Å; L801-K805 PolarHBondContact O-N 3.28Å
802E78.7Confident79.7Confident99 Ų9985.2 Ų85.246%0.46343%0.434SS..Hα-helixtrans-61.9-43.7169.6-75.7178.8168.400110.8R95 V798 K799 K805 A806R95-E802 IonicContact NH2-OE2 2.66Å; R95-E802 PolarHBondContact NH2-OE2 3.35Å; V798-E802 HydrophobicContact CG1-CG 4.36Å; V798-E802 WeakPolarHBondContact O-CB 3.38Å; V798-E802 WeakPolarHBondContact O-CG 3.4Å; V798-E802 PolarHBondContact O-N 3.37Å; K799-E802 PolarHBondContact O-N 3.06Å; E802-K805 PolarHBondContact O-N 2.76Å; E802-A806 PolarHBondContact O-N 3.24Å
803M77.7Confident79.9Confident51 Ų5186.1 Ų86.125%0.25144%0.442SS..Hα-helixtrans-63.3-55.3176.2-163.1-168.5-46.100111I102 K799 T800 K805 A806 E807I102-M803 HydrophobicContact CD1-CE 3.36Å; I102-M803 HydrophobicContact CD1-CG 4.34Å; I102-M803 HydrophobicContact CD1-SD 3.57Å; I102-M803 VanDerWaalsContact CD1-SD 3.57Å; I102-M803 HydrophobicContact CG1-CE 4.15Å; I102-M803 HydrophobicContact CG1-SD 3.88Å; I102-M803 HydrophobicContact CG2-CG 4.3Å; I102-M803 HydrophobicContact CG2-SD 3.84Å; K799-M803 VanDerWaalsContact O-CB 3.31Å; K799-M803 WeakPolarHBondContact O-CB 3.45Å; K799-M803 PolarHBondContact O-N 3.42Å; T800-M803 HydrophobicContact CG2-CE 4.06Å; T800-M803 PolarHBondContact O-N 2.92Å; M803-K805 PolarHBondContact O-N 3.41Å; M803-A806 CarbonylContact O-C 3.59Å; M803-A806 WeakPolarHBondContact O-CA 3.41Å; M803-A806 WeakPolarHBondContact O-CB 3.22Å; M803-A806 PolarHBondContact O-N 2.94Å; M803-E807 VanDerWaalsContact C-OE1 3.23Å; M803-E807 WeakPolarHBondContact CG-OE1 3.44Å; M803-E807 WeakPolarHBondContact O-CG 3.45Å; M803-E807 PolarHBondContact O-N 2.78Å
804Q77.6Confident80.2Confident75 Ų7587.5 Ų87.535%0.3544%0.441SS..Hα-helixtrans-61.2-30.7177.9-71.8-171.6-48.400112.8T800 E807 L808T800-Q804 WeakPolarHBondContact O-CB 3.45Å; T800-Q804 VanDerWaalsContact O-CG 3.26Å; T800-Q804 WeakPolarHBondContact O-CG 3.39Å; T800-Q804 PolarHBondContact O-N 3.11Å; Q804-E807 WeakPolarHBondContact CA-OE1 3.47Å; Q804-E807 PolarHBondContact N-OE1 2.9Å; Q804-L808 VanDerWaalsContact O-CB 3.3Å; Q804-L808 WeakPolarHBondContact O-CB 3.29Å; Q804-L808 WeakPolarHBondContact O-CD1 3.45Å; Q804-L808 VanDerWaalsContact O-CG 3.22Å; Q804-L808 WeakPolarHBondContact O-CG 3.4Å; Q804-L808 PolarHBondContact O-N 2.8Å
805K84.7Confident80.5Confident135 Ų13590.9 Ų90.959%0.58745%0.454SS*.Hα-helixtrans-69.4-39.2171.5-177-180177.2-175.30112L801 E802 M803 Q809L801-K805 WeakPolarHBondContact O-CB 3.05Å; L801-K805 PolarHBondContact O-N 3.28Å; E802-K805 PolarHBondContact O-N 2.76Å; M803-K805 PolarHBondContact O-N 3.41Å; K805-Q809 WeakPolarHBondContact O-CB 3.49Å; K805-Q809 VanDerWaalsContact O-CG 3.3Å; K805-Q809 WeakPolarHBondContact O-CG 3.46Å; K805-Q809 PolarHBondContact O-N 2.84Å
806A80.9Confident80.8Confident54 Ų5490.4 Ų90.445%0.44646%0.456SS..Hα-helixtrans-68.3-42.9174.500000111.8E802 M803 Q809 L810E802-A806 PolarHBondContact O-N 3.24Å; M803-A806 CarbonylContact O-C 3.59Å; M803-A806 WeakPolarHBondContact O-CA 3.41Å; M803-A806 WeakPolarHBondContact O-CB 3.22Å; M803-A806 PolarHBondContact O-N 2.94Å; A806-Q809 PolarHBondContact O-N 2.88Å; A806-L810 WeakPolarHBondContact O-CB 3.36Å; A806-L810 PolarHBondContact O-N 3.46Å
807E80.1Confident80.8Confident64 Ų6489.9 Ų89.930%0.29946%0.461SS..Hα-helixtrans-54.8-50.8171.1-68159.4-126.900111M803 Q804 Q809 L810 L811M803-E807 VanDerWaalsContact C-OE1 3.23Å; M803-E807 WeakPolarHBondContact CG-OE1 3.44Å; M803-E807 WeakPolarHBondContact O-CG 3.45Å; M803-E807 PolarHBondContact O-N 2.78Å; Q804-E807 WeakPolarHBondContact CA-OE1 3.47Å; Q804-E807 PolarHBondContact N-OE1 2.9Å; E807-Q809 VanDerWaalsContact C-N 3.34Å; E807-Q809 PolarHBondContact O-N 3.05Å; E807-L810 PolarHBondContact O-N 2.94Å; E807-L810 VanDerWaalsContact O-N 3.16Å; E807-L811 PolarHBondContact O-N 3.16Å
808L81.2Confident80.9Confident124 Ų12490 Ų9065%0.64946%0.461SS*.Hα-helixtrans-64.3-35.2177.9-76.8168.9000112.9Q804 S812Q804-L808 VanDerWaalsContact O-CB 3.3Å; Q804-L808 WeakPolarHBondContact O-CB 3.29Å; Q804-L808 WeakPolarHBondContact O-CD1 3.45Å; Q804-L808 VanDerWaalsContact O-CG 3.22Å; Q804-L808 WeakPolarHBondContact O-CG 3.4Å; Q804-L808 PolarHBondContact O-N 2.8Å; L808-S812 WeakPolarHBondContact O-CB 3.5Å; L808-S812 PolarHBondContact O-N 3.4Å
809Q81.8Confident80.8Confident121 Ų12189.3 Ų89.357%0.56546%0.463SS*.Hα-helixtrans-68.5-37.8173-77-179.1-3800111.7K805 A806 E807 S812 T813K805-Q809 WeakPolarHBondContact O-CB 3.49Å; K805-Q809 VanDerWaalsContact O-CG 3.3Å; K805-Q809 WeakPolarHBondContact O-CG 3.46Å; K805-Q809 PolarHBondContact O-N 2.84Å; A806-Q809 PolarHBondContact O-N 2.88Å; E807-Q809 VanDerWaalsContact C-N 3.34Å; E807-Q809 PolarHBondContact O-N 3.05Å; Q809-S812 PolarHBondContact O-N 3.38Å; Q809-T813 PolarHBondContact O-N 3.48Å; Q809-T813 PolarHBondContact O-OG1 2.83Å
810L81.1Confident80.8Confident123 Ų12392 Ų9264%0.64448%0.479SS*.Hα-helixtrans-69.1-42176-161.980.5000112.1A806 E807 S812 T813 R814A806-L810 WeakPolarHBondContact O-CB 3.36Å; A806-L810 PolarHBondContact O-N 3.46Å; E807-L810 PolarHBondContact O-N 2.94Å; E807-L810 VanDerWaalsContact O-N 3.16Å; L810-S812 VanDerWaalsContact C-N 3.32Å; L810-T813 PolarHBondContact O-N 2.82Å; L810-T813 PolarHBondContact O-OG1 3.16Å; L810-T813 VanDerWaalsContact O-OG1 3.04Å; L810-R814 VanDerWaalsContact O-CB 3.27Å; L810-R814 WeakPolarHBondContact O-CB 3.46Å; L810-R814 PolarHBondContact O-N 3.36Å
811L81Confident80.9Confident82 Ų8292.3 Ų92.343%0.42949%0.486SS..Hα-helixtrans-62.5-40.4170.4-100.376.9000111.1E807 T813 R814 F815E807-L811 PolarHBondContact O-N 3.16Å; L811-T813 PolarHBondContact O-N 3.38Å; L811-R814 PolarHBondContact O-N 2.85Å; L811-F815 HydrophobicContact CB-CE2 4.4Å; L811-F815 HydrophobicContact CD2-CE2 4.04Å; L811-F815 HydrophobicContact CD2-CZ 4.27Å; L811-F815 HydrophobicContact CG-CE2 4.42Å; L811-F815 WeakPolarHBondContact O-CB 3.46Å; L811-F815 WeakPolarHBondContact O-CD2 3.35Å; L811-F815 WeakPolarHBondContact O-CG 3.27Å; L811-F815 PolarHBondContact O-N 2.74Å
812S82.7Confident80.9Confident80 Ų8092.5 Ų92.556%0.55949%0.487SS*.Hα-helixtrans-66.7-34.4178.8-174.40000112.9L808 Q809 L810 K816L808-S812 WeakPolarHBondContact O-CB 3.5Å; L808-S812 PolarHBondContact O-N 3.4Å; Q809-S812 PolarHBondContact O-N 3.38Å; L810-S812 VanDerWaalsContact C-N 3.32Å; S812-K816 WeakPolarHBondContact O-CB 3.35Å; S812-K816 PolarHBondContact O-N 2.93Å
813T80.1Confident81.1Confident90 Ų9091.4 Ų91.455%0.55249%0.491SS*.Hα-helixtrans-76.8-39173.353.30000111.5Q809 L810 L811 K816 S817Q809-T813 PolarHBondContact O-N 3.48Å; Q809-T813 PolarHBondContact O-OG1 2.83Å; L810-T813 PolarHBondContact O-N 2.82Å; L810-T813 PolarHBondContact O-OG1 3.16Å; L810-T813 VanDerWaalsContact O-OG1 3.04Å; L811-T813 PolarHBondContact O-N 3.38Å; T813-K816 PolarHBondContact O-N 3.45Å; T813-S817 PolarHBondContact O-N 2.89Å; T813-S817 PolarHBondContact O-OG 3.38Å
814R83.3Confident81.2Confident122 Ų12293.8 Ų93.846%0.4651%0.508SS..Hα-helixtrans-59.3-56.3174.1-178.2173.4179.5166.7-0.7111.6E110 L810 L811 K816 S817 E818E110-R814 IonicContact OE1-CZ 2.65Å; E110-R814 IonicContact OE1-NH1 3.68Å; E110-R814 PolarHBondContact OE1-NH1 2.88Å; E110-R814 IonicContact OE1-NH2 3.04Å; L810-R814 VanDerWaalsContact O-CB 3.27Å; L810-R814 WeakPolarHBondContact O-CB 3.46Å; L810-R814 PolarHBondContact O-N 3.36Å; L811-R814 PolarHBondContact O-N 2.85Å; R814-K816 PolarHBondContact O-N 3.44Å; R814-S817 CarbonylContact O-C 3.59Å; R814-S817 PolarHBondContact O-N 3.47Å; R814-S817 PolarHBondContact O-OG 3.35Å; R814-E818 HydrophobicContact CG-CG 4.39Å; R814-E818 VanDerWaalsContact CG-OE1 3.26Å; R814-E818 WeakPolarHBondContact CG-OE1 3.45Å; R814-E818 IonicContact CZ-OE1 3.53Å; R814-E818 IonicContact NE-OE1 3.65Å; R814-E818 PolarHBondContact NE-OE1 2.9Å; R814-E818 WeakPolarHBondContact O-CG 3.43Å; R814-E818 PolarHBondContact O-N 3.23Å
815F83.1Confident81.2Confident126 Ų12694.1 Ų94.155%0.55351%0.509SS*.Hα-helixtrans-59.5-31.9176.7-71.7-35.5000112.9L811 A819L811-F815 HydrophobicContact CB-CE2 4.4Å; L811-F815 HydrophobicContact CD2-CE2 4.04Å; L811-F815 HydrophobicContact CD2-CZ 4.27Å; L811-F815 HydrophobicContact CG-CE2 4.42Å; L811-F815 WeakPolarHBondContact O-CB 3.46Å; L811-F815 WeakPolarHBondContact O-CD2 3.35Å; L811-F815 WeakPolarHBondContact O-CG 3.27Å; L811-F815 PolarHBondContact O-N 2.74Å; F815-A819 VanDerWaalsContact O-CB 3.24Å; F815-A819 WeakPolarHBondContact O-CB 3.44Å; F815-A819 PolarHBondContact O-N 2.85Å
816K86.1Confident81.2Confident137 Ų13793.5 Ų93.560%0.59651%0.507SS*.Hα-helixtrans-67.5-46.7172.4-171.4172.2-178.9-178.50111.4S812 T813 R814 E818 A819 D820S812-K816 WeakPolarHBondContact O-CB 3.35Å; S812-K816 PolarHBondContact O-N 2.93Å; T813-K816 PolarHBondContact O-N 3.45Å; R814-K816 PolarHBondContact O-N 3.44Å; K816-E818 VanDerWaalsContact C-N 3.33Å; K816-E818 PolarHBondContact O-N 3.3Å; K816-A819 PolarHBondContact O-N 3.04Å; K816-D820 WeakPolarHBondContact O-CB 3.48Å; K816-D820 VanDerWaalsContact O-CG 3.27Å; K816-D820 PolarHBondContact O-N 3.27Å
817S77.8Confident81.2Confident68 Ų6893.4 Ų93.448%0.47651%0.506SS..Hα-helixtrans-64.8-34176.267.90000113.3T813 R814 A821T813-S817 PolarHBondContact O-N 2.89Å; T813-S817 PolarHBondContact O-OG 3.38Å; R814-S817 CarbonylContact O-C 3.59Å; R814-S817 PolarHBondContact O-N 3.47Å; R814-S817 PolarHBondContact O-OG 3.35Å; S817-A821 WeakPolarHBondContact O-CB 3.43Å; S817-A821 PolarHBondContact O-N 3.42Å
818E79.5Confident81.3Confident76 Ų7695.6 Ų95.636%0.35552%0.516SS..Hα-helixtrans-70.2-38.9173.3-72172.2-175.400111.1R814 K816 A821 L822R814-E818 HydrophobicContact CG-CG 4.39Å; R814-E818 VanDerWaalsContact CG-OE1 3.26Å; R814-E818 WeakPolarHBondContact CG-OE1 3.45Å; R814-E818 IonicContact CZ-OE1 3.53Å; R814-E818 IonicContact NE-OE1 3.65Å; R814-E818 PolarHBondContact NE-OE1 2.9Å; R814-E818 WeakPolarHBondContact O-CG 3.43Å; R814-E818 PolarHBondContact O-N 3.23Å; K816-E818 VanDerWaalsContact C-N 3.33Å; K816-E818 PolarHBondContact O-N 3.3Å; E818-A821 PolarHBondContact O-N 3.25Å; E818-L822 VanDerWaalsContact O-CB 3.29Å; E818-L822 WeakPolarHBondContact O-CB 3.23Å; E818-L822 WeakPolarHBondContact O-CD1 3.17Å; E818-L822 WeakPolarHBondContact O-CG 3.32Å; E818-L822 PolarHBondContact O-N 2.96Å
819A79.2Confident81.1Confident55 Ų5594.7 Ų94.746%0.45550%0.504SS..Hα-helixtrans-66.8-41.8173.400000112.6F815 K816 L822 S823F815-A819 VanDerWaalsContact O-CB 3.24Å; F815-A819 WeakPolarHBondContact O-CB 3.44Å; F815-A819 PolarHBondContact O-N 2.85Å; K816-A819 PolarHBondContact O-N 3.04Å; A819-L822 PolarHBondContact O-N 3.34Å; A819-S823 WeakPolarHBondContact O-CB 3.13Å; A819-S823 PolarHBondContact O-N 3.06Å
820D82.9Confident81.1Confident91 Ų9193.8 Ų93.849%0.48750%0.5SS..Hα-helixtrans-65.4-41.9175.3-68.8-30.1000110.5K816 S823 V824K816-D820 WeakPolarHBondContact O-CB 3.48Å; K816-D820 VanDerWaalsContact O-CG 3.27Å; K816-D820 PolarHBondContact O-N 3.27Å; D820-S823 WeakPolarHBondContact O-CB 3.22Å; D820-S823 PolarHBondContact O-N 3.21Å; D820-V824 WeakPolarHBondContact O-CG2 3.25Å; D820-V824 PolarHBondContact O-N 3.41Å
821A78.7Confident81.1Confident57 Ų5792.8 Ų92.847%0.47150%0.499SS..Hα-helixtrans-65.2-42.8174.700000112.8S817 E818 S823 V824 E825S817-A821 WeakPolarHBondContact O-CB 3.43Å; S817-A821 PolarHBondContact O-N 3.42Å; E818-A821 PolarHBondContact O-N 3.25Å; A821-S823 VanDerWaalsContact C-N 3.27Å; A821-S823 PolarHBondContact O-N 3.18Å; A821-V824 PolarHBondContact O-N 2.85Å; A821-E825 PolarHBondContact O-N 2.84Å
822L80.7Confident80.9Confident112 Ų11293.2 Ų93.259%0.58650%0.498SS*.Hα-helixtrans-65-30.6173.7-75.5167.6000112.2E818 A819 K826E818-L822 VanDerWaalsContact O-CB 3.29Å; E818-L822 WeakPolarHBondContact O-CB 3.23Å; E818-L822 WeakPolarHBondContact O-CD1 3.17Å; E818-L822 WeakPolarHBondContact O-CG 3.32Å; E818-L822 PolarHBondContact O-N 2.96Å; A819-L822 PolarHBondContact O-N 3.34Å; L822-K826 WeakPolarHBondContact O-CB 3.34Å; L822-K826 PolarHBondContact O-N 2.89Å
823S82.4Confident80.9Confident77 Ų7794.6 Ų94.654%0.53850%0.499SS..Hα-helixtrans-67-44172.7-166.30000111.4A819 D820 A821 K826 A827A819-S823 WeakPolarHBondContact O-CB 3.13Å; A819-S823 PolarHBondContact O-N 3.06Å; D820-S823 WeakPolarHBondContact O-CB 3.22Å; D820-S823 PolarHBondContact O-N 3.21Å; A821-S823 VanDerWaalsContact C-N 3.27Å; A821-S823 PolarHBondContact O-N 3.18Å; S823-K826 PolarHBondContact O-N 2.91Å; S823-A827 PolarHBondContact O-N 3.2Å
824V81.4Confident80.8Confident100 Ų10094.1 Ų94.161%0.60650%0.5SS*.Hα-helixtrans-65.7-44.3173.9173.80000111.5D820 A821 K826 A827 Q828D820-V824 WeakPolarHBondContact O-CG2 3.25Å; D820-V824 PolarHBondContact O-N 3.41Å; A821-V824 PolarHBondContact O-N 2.85Å; V824-K826 VanDerWaalsContact C-N 3.34Å; V824-K826 PolarHBondContact O-N 2.85Å; V824-A827 PolarHBondContact O-N 2.84Å; V824-Q828 PolarHBondContact O-N 3.4Å
825E76.1Confident80.8Confident82 Ų8293.1 Ų93.138%0.38350%0.5SS..Hα-helixtrans-62.6-42.4176.4-158.2-157.215300110.8A821 A827 Q828 R829A821-E825 PolarHBondContact O-N 2.84Å; E825-A827 PolarHBondContact O-N 3.12Å; E825-Q828 PolarHBondContact O-N 2.85Å; E825-R829 HydrophobicContact CG-CG 4.39Å; E825-R829 WeakPolarHBondContact O-CB 3.21Å; E825-R829 WeakPolarHBondContact O-CG 3.07Å; E825-R829 PolarHBondContact O-N 3.25Å; E825-R829 IonicContact OE1-CZ 3.46Å; E825-R829 IonicContact OE1-NE 2.76Å; E825-R829 PolarHBondContact OE1-NE 3.38Å; E825-R829 IonicContact OE1-NH2 3.6Å; E825-R829 PolarHBondContact OE1-NH2 3.23Å
826K84.7Confident80.6Confident123 Ų12392.1 Ų92.154%0.53550%0.5SS..Hα-helixtrans-58.3-45.6174.3179.9176.5-179.2-73.60111.8L822 S823 V824 Q828 R829 E830L822-K826 WeakPolarHBondContact O-CB 3.34Å; L822-K826 PolarHBondContact O-N 2.89Å; S823-K826 PolarHBondContact O-N 2.91Å; V824-K826 VanDerWaalsContact C-N 3.34Å; V824-K826 PolarHBondContact O-N 2.85Å; K826-Q828 VanDerWaalsContact C-N 3.34Å; K826-Q828 PolarHBondContact O-N 2.9Å; K826-R829 PolarHBondContact O-N 2.91Å; K826-E830 WeakPolarHBondContact CE-OE1 3.26Å; K826-E830 IonicContact NZ-OE1 2.71Å; K826-E830 PolarHBondContact NZ-OE1 3.23Å; K826-E830 IonicContact NZ-OE2 3.51Å; K826-E830 WeakPolarHBondContact O-CG 3.32Å; K826-E830 PolarHBondContact O-N 3.11Å
827A81Confident80.4Confident51 Ų5190.2 Ų90.242%0.42150%0.496SS..Hα-helixtrans-62.1-41176.200000111.9S823 V824 E825 E830 V831S823-A827 PolarHBondContact O-N 3.2Å; V824-A827 PolarHBondContact O-N 2.84Å; E825-A827 PolarHBondContact O-N 3.12Å; A827-E830 PolarHBondContact O-N 3.46Å; A827-V831 WeakPolarHBondContact O-CG2 3.2Å; A827-V831 PolarHBondContact O-N 2.88Å; A827-V831 VanDerWaalsContact O-N 3.07Å
828Q81.7Confident80.5Confident110 Ų11090.8 Ų90.851%0.51450%0.501SS..Hα-helixtrans-65.1-42.8174.8-176.5173.1-28.100112V824 E825 K826 E830 V831 E832V824-Q828 PolarHBondContact O-N 3.4Å; E825-Q828 PolarHBondContact O-N 2.85Å; K826-Q828 VanDerWaalsContact C-N 3.34Å; K826-Q828 PolarHBondContact O-N 2.9Å; Q828-E830 VanDerWaalsContact C-N 3.29Å; Q828-E830 PolarHBondContact O-N 2.99Å; Q828-V831 PolarHBondContact O-N 3.41Å; Q828-E832 HydrophobicContact CG-CG 4.45Å; Q828-E832 PolarHBondContact NE2-OE1 3.2Å; Q828-E832 WeakPolarHBondContact O-CG 3.41Å; Q828-E832 PolarHBondContact O-N 3.08Å
829R78.4Confident80.5Confident106 Ų10692 Ų9240%0.451%0.505SS..Hα-helixtrans-61.2-36174.8-65.2-82.8-166.6127.53.5111.7T126 E825 K826 N833T126-R829 PolarHBondContact OG1-NH1 3.09Å; E825-R829 HydrophobicContact CG-CG 4.39Å; E825-R829 WeakPolarHBondContact O-CB 3.21Å; E825-R829 WeakPolarHBondContact O-CG 3.07Å; E825-R829 PolarHBondContact O-N 3.25Å; E825-R829 IonicContact OE1-CZ 3.46Å; E825-R829 IonicContact OE1-NE 2.76Å; E825-R829 PolarHBondContact OE1-NE 3.38Å; E825-R829 IonicContact OE1-NH2 3.6Å; E825-R829 PolarHBondContact OE1-NH2 3.23Å; K826-R829 PolarHBondContact O-N 2.91Å; R829-N833 WeakPolarHBondContact O-CB 3.32Å; R829-N833 PolarHBondContact O-N 3.1Å
830E81.6Confident80.5Confident102 Ų10293.9 Ų93.948%0.47751%0.507SS..Hα-helixtrans-68.8-37.1175.1-75.5172-177.500112.2K826 A827 Q828 S834K826-E830 WeakPolarHBondContact CE-OE1 3.26Å; K826-E830 IonicContact NZ-OE1 2.71Å; K826-E830 PolarHBondContact NZ-OE1 3.23Å; K826-E830 IonicContact NZ-OE2 3.51Å; K826-E830 WeakPolarHBondContact O-CG 3.32Å; K826-E830 PolarHBondContact O-N 3.11Å; A827-E830 PolarHBondContact O-N 3.46Å; Q828-E830 VanDerWaalsContact C-N 3.29Å; Q828-E830 PolarHBondContact O-N 2.99Å; E830-S834 WeakPolarHBondContact O-CB 3.46Å; E830-S834 PolarHBondContact O-N 3.48Å; E830-S834 PolarHBondContact O-OG 3.25Å
831V80.4Confident80.5Confident102 Ų10292.9 Ų92.962%0.61850%0.503SS*.Hα-helixtrans-68-45.5171.7172.40000111.7A827 Q828 S834 H835A827-V831 WeakPolarHBondContact O-CG2 3.2Å; A827-V831 PolarHBondContact O-N 2.88Å; A827-V831 VanDerWaalsContact O-N 3.07Å; Q828-V831 PolarHBondContact O-N 3.41Å; V831-S834 WeakPolarHBondContact O-CB 3.35Å; V831-S834 PolarHBondContact O-N 2.84Å; V831-H835 PolarHBondContact O-N 3.17Å
832E76.9Confident80.6Confident91 Ų9195.8 Ų95.843%0.42551%0.507SS..Hα-helixtrans-63.1-42176.8-75.2176.6-166.100111.8Q828 S834 H835 L836Q828-E832 HydrophobicContact CG-CG 4.45Å; Q828-E832 PolarHBondContact NE2-OE1 3.2Å; Q828-E832 WeakPolarHBondContact O-CG 3.41Å; Q828-E832 PolarHBondContact O-N 3.08Å; E832-S834 VanDerWaalsContact C-N 3.34Å; E832-S834 PolarHBondContact O-N 2.71Å; E832-H835 PolarHBondContact O-N 3.4Å; E832-L836 WeakPolarHBondContact O-CB 3.3Å; E832-L836 WeakPolarHBondContact O-CG 3.33Å; E832-L836 PolarHBondContact O-N 2.86Å
833N82.2Confident80.5Confident108 Ų10895.9 Ų95.958%0.57851%0.506SS*.Hα-helixtrans-64.9-37.8174.6-167.117.7000111.5R829 H835 L836 N837R829-N833 WeakPolarHBondContact O-CB 3.32Å; R829-N833 PolarHBondContact O-N 3.1Å; N833-H835 VanDerWaalsContact C-N 3.35Å; N833-H835 PolarHBondContact O-N 2.71Å; N833-L836 PolarHBondContact O-N 3.47Å; N833-N837 VanDerWaalsContact O-CB 3.27Å; N833-N837 WeakPolarHBondContact O-CB 3.42Å; N833-N837 PolarHBondContact O-N 2.87Å
834S79.3Confident80.3Confident80 Ų8096.3 Ų96.356%0.55950%0.502SS*.Hα-helixtrans-63.5-39.5173-600000112.2E830 V831 E832 S838E830-S834 WeakPolarHBondContact O-CB 3.46Å; E830-S834 PolarHBondContact O-N 3.48Å; E830-S834 PolarHBondContact O-OG 3.25Å; V831-S834 WeakPolarHBondContact O-CB 3.35Å; V831-S834 PolarHBondContact O-N 2.84Å; E832-S834 VanDerWaalsContact C-N 3.34Å; E832-S834 PolarHBondContact O-N 2.71Å; S834-S838 WeakPolarHBondContact O-CB 3.4Å; S834-S838 PolarHBondContact O-N 3.21Å
835H82.6Confident80.2Confident102 Ų102100 Ų10047%0.47251%0.505SS..Hα-helixtrans-68.5-41.1174.7-179.365.4000112.5V831 E832 N833 S838 K839V831-H835 PolarHBondContact O-N 3.17Å; E832-H835 PolarHBondContact O-N 3.4Å; N833-H835 VanDerWaalsContact C-N 3.35Å; N833-H835 PolarHBondContact O-N 2.71Å; H835-S838 PolarHBondContact O-N 3.22Å; H835-K839 WeakPolarHBondContact NE2-CE 3.41Å; H835-K839 PolarHBondContact NE2-NZ 2.98Å; H835-K839 PolarHBondContact O-N 2.9Å
836L79Confident80.3Confident104 Ų104101 Ų10155%0.54551%0.51SS..Hα-helixtrans-65.6-41.8174.9-74.4169.5000111.9E832 N833 S838 K839 L840E832-L836 WeakPolarHBondContact O-CB 3.3Å; E832-L836 WeakPolarHBondContact O-CG 3.33Å; E832-L836 PolarHBondContact O-N 2.86Å; N833-L836 PolarHBondContact O-N 3.47Å; L836-S838 VanDerWaalsContact C-N 3.34Å; L836-S838 PolarHBondContact O-N 3.45Å; L836-K839 CarbonylContact O-C 3.55Å; L836-K839 WeakPolarHBondContact O-CB 3.37Å; L836-K839 PolarHBondContact O-N 3.37Å; L836-L840 WeakPolarHBondContact O-CB 3.26Å; L836-L840 PolarHBondContact O-N 3.12Å
837N81.3Confident80Confident97 Ų9799.8 Ų99.852%0.51951%0.509SS..Hα-helixtrans-64.8-38175.7-168.144.3000111.7N833 L840 V841N833-N837 VanDerWaalsContact O-CB 3.27Å; N833-N837 WeakPolarHBondContact O-CB 3.42Å; N833-N837 PolarHBondContact O-N 2.87Å; N837-L840 PolarHBondContact O-N 3.39Å; N837-V841 WeakPolarHBondContact O-CG2 3.24Å; N837-V841 PolarHBondContact O-N 2.9Å
838S79.6Confident79.9Confident81 Ų81100.3 Ų100.357%0.56651%0.509SS*.Hα-helixtrans-62.4-43172-171.30000112.2S834 H835 L836 L840 Q842S834-S838 WeakPolarHBondContact O-CB 3.4Å; S834-S838 PolarHBondContact O-N 3.21Å; H835-S838 PolarHBondContact O-N 3.22Å; L836-S838 VanDerWaalsContact C-N 3.34Å; L836-S838 PolarHBondContact O-N 3.45Å; S838-L840 VanDerWaalsContact C-N 3.35Å; S838-Q842 PolarHBondContact O-N 2.78Å
839K80.6Confident79.7Confident101 Ų10199.6 Ų99.644%0.43951%0.509SS..Hα-helixtrans-63.5-37.1171.1-79.1177.2171.61650112.8H835 L836 Q842 M843H835-K839 WeakPolarHBondContact NE2-CE 3.41Å; H835-K839 PolarHBondContact NE2-NZ 2.98Å; H835-K839 PolarHBondContact O-N 2.9Å; L836-K839 CarbonylContact O-C 3.55Å; L836-K839 WeakPolarHBondContact O-CB 3.37Å; L836-K839 PolarHBondContact O-N 3.37Å; K839-Q842 CarbonylContact O-C 3.56Å; K839-Q842 WeakPolarHBondContact O-CB 3.43Å; K839-Q842 PolarHBondContact O-N 3.42Å; K839-M843 WeakPolarHBondContact O-CG 3.42Å; K839-M843 PolarHBondContact O-N 2.88Å
840L78.9Confident79.5Confident95 Ų9598.7 Ų98.750%0.49751%0.511SS..Hα-helixtrans-67.9-43.8179.8-164140.8000110.6L836 N837 S838 Q842 M843 D844L836-L840 WeakPolarHBondContact O-CB 3.26Å; L836-L840 PolarHBondContact O-N 3.12Å; N837-L840 PolarHBondContact O-N 3.39Å; S838-L840 VanDerWaalsContact C-N 3.35Å; L840-Q842 VanDerWaalsContact C-N 3.26Å; L840-Q842 PolarHBondContact O-N 2.83Å; L840-M843 CarbonylContact O-C 3.43Å; L840-M843 PolarHBondContact O-N 3.38Å; L840-M843 VanDerWaalsContact O-N 3.08Å; L840-D844 PolarHBondContact O-N 2.8Å
841V82.8Confident79.4Confident69 Ų69100 Ų10042%0.41852%0.517SS..Hα-helixtrans-61.6-32.3170.4172.10000112.5N837 R845N837-V841 WeakPolarHBondContact O-CG2 3.24Å; N837-V841 PolarHBondContact O-N 2.9Å; V841-R845 PolarHBondContact O-N 3.01Å
842Q80.4Confident79.2Confident118 Ų118100.1 Ų100.155%0.55151%0.513SS*.Hα-helixtrans-69.6-40.7172-172.7177.38.200111.9S838 K839 L840 R845 Q846S838-Q842 PolarHBondContact O-N 2.78Å; K839-Q842 CarbonylContact O-C 3.56Å; K839-Q842 WeakPolarHBondContact O-CB 3.43Å; K839-Q842 PolarHBondContact O-N 3.42Å; L840-Q842 VanDerWaalsContact C-N 3.26Å; L840-Q842 PolarHBondContact O-N 2.83Å; Q842-R845 PolarHBondContact O-N 2.87Å; Q842-Q846 WeakPolarHBondContact O-CG 3.34Å; Q842-Q846 PolarHBondContact O-N 3.24Å; Q842-Q846 VanDerWaalsContact O-N 3.1Å
843M79.6Confident79.2Confident114 Ų114101.6 Ų101.656%0.56252%0.521SS*.Hα-helixtrans-70.6-34.5175.7-72.4-166.571.100112.6K839 L840 R845 Q846 L847K839-M843 WeakPolarHBondContact O-CG 3.42Å; K839-M843 PolarHBondContact O-N 2.88Å; L840-M843 CarbonylContact O-C 3.43Å; L840-M843 PolarHBondContact O-N 3.38Å; L840-M843 VanDerWaalsContact O-N 3.08Å; M843-R845 VanDerWaalsContact C-N 3.31Å; M843-R845 PolarHBondContact O-N 3.47Å; M843-Q846 CarbonylContact O-C 3.6Å; M843-Q846 PolarHBondContact O-N 2.99Å; M843-L847 WeakPolarHBondContact O-CB 3.43Å; M843-L847 WeakPolarHBondContact O-CG 3.48Å; M843-L847 PolarHBondContact O-N 3.47Å
844D78.5Confident78.9Confident86 Ų86101.9 Ų101.946%0.4652%0.52SS..Hα-helixtrans-63.4-37.4173.1-75.9-22.8000111.6L840 L847 S848L840-D844 PolarHBondContact O-N 2.8Å; D844-L847 PolarHBondContact O-N 3.23Å; D844-S848 WeakPolarHBondContact O-CB 3.48Å; D844-S848 PolarHBondContact O-N 3.09Å
845R78.6Confident78.8Confident178 Ų178105.2 Ų105.267%0.67253%0.526SS*.Hα-helixtrans-63.4-46.9169.9-79.3-179.5170.8148.9-0.8111.8V841 Q842 M843 L847 S848 D849V841-R845 PolarHBondContact O-N 3.01Å; Q842-R845 PolarHBondContact O-N 2.87Å; M843-R845 VanDerWaalsContact C-N 3.31Å; M843-R845 PolarHBondContact O-N 3.47Å; R845-L847 VanDerWaalsContact C-N 3.31Å; R845-L847 PolarHBondContact O-N 2.88Å; R845-S848 PolarHBondContact O-N 2.79Å; R845-D849 PolarHBondContact O-N 3.1Å
846Q78.4Confident78.5Confident103 Ų103103.7 Ų103.748%0.48152%0.522SS..Hα-helixtrans-62.7-37.7176.5-70.6-179.9-42.100112.2Q842 M843 D849 I850Q842-Q846 WeakPolarHBondContact O-CG 3.34Å; Q842-Q846 PolarHBondContact O-N 3.24Å; Q842-Q846 VanDerWaalsContact O-N 3.1Å; M843-Q846 CarbonylContact O-C 3.6Å; M843-Q846 PolarHBondContact O-N 2.99Å; Q846-D849 PolarHBondContact O-N 3.15Å; Q846-I850 VanDerWaalsContact O-CB 3.27Å; Q846-I850 WeakPolarHBondContact O-CB 3.46Å; Q846-I850 WeakPolarHBondContact O-CD1 3.27Å; Q846-I850 WeakPolarHBondContact O-CG1 3.32Å; Q846-I850 PolarHBondContact O-N 2.75Å
847L77.7Confident78.2Confident97 Ų97103.9 Ų103.951%0.50852%0.523SS..Hα-helixtrans-67.3-39.3174.3-75.6170.7000111.5M843 D844 R845 I850 Q851M843-L847 WeakPolarHBondContact O-CB 3.43Å; M843-L847 WeakPolarHBondContact O-CG 3.48Å; M843-L847 PolarHBondContact O-N 3.47Å; D844-L847 PolarHBondContact O-N 3.23Å; R845-L847 VanDerWaalsContact C-N 3.31Å; R845-L847 PolarHBondContact O-N 2.88Å; L847-I850 CarbonylContact O-C 3.46Å; L847-I850 PolarHBondContact O-N 2.81Å; L847-Q851 WeakPolarHBondContact O-CB 3.15Å; L847-Q851 PolarHBondContact O-N 3.45Å
848S79Confident78Confident62 Ų62102.9 Ų102.943%0.43452%0.523SS..Hα-helixtrans-63.8-44.3173.1-174.10000111.9D844 R845 Q851 I852D844-S848 WeakPolarHBondContact O-CB 3.48Å; D844-S848 PolarHBondContact O-N 3.09Å; R845-S848 PolarHBondContact O-N 2.79Å; S848-Q851 PolarHBondContact O-N 2.75Å; S848-I852 WeakPolarHBondContact O-CG1 3.38Å; S848-I852 PolarHBondContact O-N 3.48Å
849D76.7Confident77.6Confident95 Ų95106 Ų10651%0.50853%0.527SS..Hα-helixtrans-64.2-41.9175.8-71.4-26.4000111.3R845 Q846 Q853R845-D849 PolarHBondContact O-N 3.1Å; Q846-D849 PolarHBondContact O-N 3.15Å; D849-Q853 VanDerWaalsContact O-CG 3.31Å; D849-Q853 WeakPolarHBondContact O-CG 3.43Å; D849-Q853 PolarHBondContact O-N 3.11Å
850I75.1Confident77Confident88 Ų88108.7 Ų108.745%0.45153%0.534SS..Hα-helixtrans-65.2-37.2173.7-72.9165.9000111.1Q846 L847 Q853 M854Q846-I850 VanDerWaalsContact O-CB 3.27Å; Q846-I850 WeakPolarHBondContact O-CB 3.46Å; Q846-I850 WeakPolarHBondContact O-CD1 3.27Å; Q846-I850 WeakPolarHBondContact O-CG1 3.32Å; Q846-I850 PolarHBondContact O-N 2.75Å; L847-I850 CarbonylContact O-C 3.46Å; L847-I850 PolarHBondContact O-N 2.81Å; I850-Q853 CarbonylContact O-C 3.52Å; I850-Q853 PolarHBondContact O-N 3.3Å; I850-M854 VanDerWaalsContact O-CB 3.28Å; I850-M854 WeakPolarHBondContact O-CB 3.25Å; I850-M854 PolarHBondContact O-N 2.79Å
851Q79.4Confident76.2Confident129 Ų129111.7 Ų111.760%0.60354%0.54SS*.Hα-helixtrans-69.9-39-179.8-174168.3-6.400111.3L847 S848 M854 E855L847-Q851 WeakPolarHBondContact O-CB 3.15Å; L847-Q851 PolarHBondContact O-N 3.45Å; S848-Q851 PolarHBondContact O-N 2.75Å; Q851-M854 PolarHBondContact O-N 3.27Å; Q851-E855 WeakPolarHBondContact O-CB 3.37Å; Q851-E855 PolarHBondContact O-N 2.78Å
852I77.1Confident75.5Confident104 Ų104111.1 Ų111.153%0.53354%0.543SS..Hα-helixtrans-61.3-44.4170-67.3164.4000110.5S848 M854 E855 D856S848-I852 WeakPolarHBondContact O-CG1 3.38Å; S848-I852 PolarHBondContact O-N 3.48Å; I852-M854 VanDerWaalsContact C-N 3.33Å; I852-M854 PolarHBondContact O-N 2.72Å; I852-E855 PolarHBondContact O-N 2.78Å; I852-D856 PolarHBondContact O-N 3.25Å; I852-D856 VanDerWaalsContact O-N 3.12Å
853Q76.2Confident74.5Confident123 Ų123111.4 Ų111.458%0.57555%0.548SS*.Hα-helixtrans-64.5-36.4174.6-70.4173.235.300112.6D849 I850 L857D849-Q853 VanDerWaalsContact O-CG 3.31Å; D849-Q853 WeakPolarHBondContact O-CG 3.43Å; D849-Q853 PolarHBondContact O-N 3.11Å; I850-Q853 CarbonylContact O-C 3.52Å; I850-Q853 PolarHBondContact O-N 3.3Å; Q853-L857 VanDerWaalsContact O-CB 3.27Å; Q853-L857 WeakPolarHBondContact O-CB 3.32Å; Q853-L857 VanDerWaalsContact O-CG 3.26Å; Q853-L857 WeakPolarHBondContact O-CG 3.49Å; Q853-L857 PolarHBondContact O-N 3.46Å
854M75.1Confident73.4Confident114 Ų114108.5 Ų108.556%0.56254%0.539SS*.Hα-helixtrans-70.8-36179.1-160.4-158.9-40.400111.5I850 Q851 I852 S858I850-M854 VanDerWaalsContact O-CB 3.28Å; I850-M854 WeakPolarHBondContact O-CB 3.25Å; I850-M854 PolarHBondContact O-N 2.79Å; Q851-M854 PolarHBondContact O-N 3.27Å; I852-M854 VanDerWaalsContact C-N 3.33Å; I852-M854 PolarHBondContact O-N 2.72Å; M854-S858 WeakPolarHBondContact O-CB 3.23Å; M854-S858 PolarHBondContact O-N 2.73Å
855E78.4Confident72.6Confident149 Ų149111.4 Ų111.470%0.69655%0.547SS*.Hα-helixtrans-70.4-39.7176.6-166.7162.8-134.300111.2Q851 I852 S858 K859Q851-E855 WeakPolarHBondContact O-CB 3.37Å; Q851-E855 PolarHBondContact O-N 2.78Å; I852-E855 PolarHBondContact O-N 2.78Å; E855-S858 PolarHBondContact O-N 2.99Å; E855-K859 PolarHBondContact O-N 3.42Å
856D75.6Confident71.5Confident70 Ų70110.9 Ų110.937%0.37455%0.553SS.*Hα-helixtrans-68.5-39.7172.3-164.472.1000112.5I852 K859 R860I852-D856 PolarHBondContact O-N 3.25Å; I852-D856 VanDerWaalsContact O-N 3.12Å; D856-K859 WeakPolarHBondContact O-CB 3.45Å; D856-K859 PolarHBondContact O-N 2.97Å; D856-R860 WeakPolarHBondContact O-CG 3.26Å; D856-R860 PolarHBondContact O-N 3.46Å; D856-R860 VanDerWaalsContact O-N 3.14Å; D856-R860 IonicContact OD2-CZ 2.67Å; D856-R860 IonicContact OD2-NE 2.6Å; D856-R860 PolarHBondContact OD2-NE 2.91Å; D856-R860 IonicContact OD2-NH2 3.05Å; D856-R860 PolarHBondContact OD2-NH2 3.44Å
857L73.7Confident70.4Confident108 Ų108113.5 Ų113.557%0.56557%0.565SS**Hα-helixtrans-64.8-37.5171-79.3169.9000112.4Q853 K859 R860 Y861Q853-L857 VanDerWaalsContact O-CB 3.27Å; Q853-L857 WeakPolarHBondContact O-CB 3.32Å; Q853-L857 VanDerWaalsContact O-CG 3.26Å; Q853-L857 WeakPolarHBondContact O-CG 3.49Å; Q853-L857 PolarHBondContact O-N 3.46Å; L857-K859 VanDerWaalsContact C-N 3.32Å; L857-R860 PolarHBondContact O-N 3.36Å; L857-Y861 VanDerWaalsContact O-CB 3.29Å; L857-Y861 WeakPolarHBondContact O-CB 3.44Å; L857-Y861 PolarHBondContact O-N 2.86Å
858S75.4Confident69.2Low76 Ų76114.1 Ų114.153%0.53157%0.568SS.*Hα-helixtrans-65.6-37.6177.8-173.10000111.1M854 E855 Y861 A862M854-S858 WeakPolarHBondContact O-CB 3.23Å; M854-S858 PolarHBondContact O-N 2.73Å; E855-S858 PolarHBondContact O-N 2.99Å; S858-Y861 PolarHBondContact O-N 3.42Å; S858-A862 WeakPolarHBondContact O-CB 3.3Å; S858-A862 PolarHBondContact O-N 3.16Å
859K72.5Confident68Low148 Ų148119 Ų11964%0.64359%0.588SS**Hα-helixtrans-56.2-56.2168.2-118.8172.4-178.3169.30111.8E855 D856 L857 Y861 A862 D863E855-K859 PolarHBondContact O-N 3.42Å; D856-K859 WeakPolarHBondContact O-CB 3.45Å; D856-K859 PolarHBondContact O-N 2.97Å; L857-K859 VanDerWaalsContact C-N 3.32Å; K859-Y861 PolarHBondContact O-N 3.44Å; K859-A862 WeakPolarHBondContact O-CB 3.43Å; K859-A862 PolarHBondContact O-N 2.99Å; K859-A862 VanDerWaalsContact O-N 3.08Å; K859-D863 PolarHBondContact O-N 2.91Å
860R66.8Low67.1Low156 Ų156117.4 Ų117.459%0.58959%0.594SS**Hα-helixtrans-60.8-32.2178.5-61.4171.8-162.1-146.27.6112.5D856 L857 S864D856-R860 WeakPolarHBondContact O-CG 3.26Å; D856-R860 PolarHBondContact O-N 3.46Å; D856-R860 VanDerWaalsContact O-N 3.14Å; D856-R860 IonicContact OD2-CZ 2.67Å; D856-R860 IonicContact OD2-NE 2.6Å; D856-R860 PolarHBondContact OD2-NE 2.91Å; D856-R860 IonicContact OD2-NH2 3.05Å; D856-R860 PolarHBondContact OD2-NH2 3.44Å; L857-R860 PolarHBondContact O-N 3.36Å; R860-S864 WeakPolarHBondContact O-CB 3.48Å; R860-S864 PolarHBondContact O-N 3.46Å
861Y63.8Low66.2Low158 Ų158119 Ų11962%0.6260%0.603SS**Hα-helixtrans-75.7-33.2176.4-168.6-96.7000112.3L857 S858 K859 S864 K865L857-Y861 VanDerWaalsContact O-CB 3.29Å; L857-Y861 WeakPolarHBondContact O-CB 3.44Å; L857-Y861 PolarHBondContact O-N 2.86Å; S858-Y861 PolarHBondContact O-N 3.42Å; K859-Y861 PolarHBondContact O-N 3.44Å; Y861-S864 PolarHBondContact O-N 2.94Å; Y861-K865 HydrophobicContact CE1-CD 4.2Å; Y861-K865 WeakPolarHBondContact O-CB 3.29Å; Y861-K865 PolarHBondContact O-N 2.86Å
862A66.5Low65.1Low58 Ų58117.5 Ų117.548%0.47961%0.607SS.*Hα-helixtrans-64.1-46.2169.800000110.8S858 K859 S864 K865 Q866S858-A862 WeakPolarHBondContact O-CB 3.3Å; S858-A862 PolarHBondContact O-N 3.16Å; K859-A862 WeakPolarHBondContact O-CB 3.43Å; K859-A862 PolarHBondContact O-N 2.99Å; K859-A862 VanDerWaalsContact O-N 3.08Å; A862-S864 VanDerWaalsContact C-N 3.33Å; A862-S864 PolarHBondContact O-N 3.31Å; A862-K865 PolarHBondContact O-N 3.31Å; A862-Q866 PolarHBondContact O-N 3.21Å
863D60.2Low64.2Low123 Ų123118.7 Ų118.766%0.65861%0.614SS**Hα-helixtrans-58.6-43.2175.5-63.3-32.7000111.6K859 Q866K859-D863 PolarHBondContact O-N 2.91Å; D863-Q866 WeakPolarHBondContact O-CB 3.37Å
864S57.1Low63.4Low53 Ų53120.5 Ų120.537%0.37162%0.62SS.*Hα-helixtrans-76.6-28.6178.7-174.50000114.2R860 Y861 A862 Q866 E867R860-S864 WeakPolarHBondContact O-CB 3.48Å; R860-S864 PolarHBondContact O-N 3.46Å; Y861-S864 PolarHBondContact O-N 2.94Å; A862-S864 VanDerWaalsContact C-N 3.33Å; A862-S864 PolarHBondContact O-N 3.31Å; S864-Q866 PolarHBondContact O-N 2.97Å; S864-E867 VanDerWaalsContact O-CB 3.24Å; S864-E867 WeakPolarHBondContact O-CB 3.38Å; S864-E867 PolarHBondContact O-N 2.93Å
865K60.3Low62.6Low148 Ų148121.8 Ų121.864%0.64363%0.629SS**Hα-helixtrans-68.4-21.9178.3-171.4172.5-177179.70112.5Y861 A862 E867Y861-K865 HydrophobicContact CE1-CD 4.2Å; Y861-K865 WeakPolarHBondContact O-CB 3.29Å; Y861-K865 PolarHBondContact O-N 2.86Å; A862-K865 PolarHBondContact O-N 3.31Å; K865-E867 PolarHBondContact O-N 3.05Å
866Q56.8Low62Low167 Ų167118.9 Ų118.978%0.7863%0.625SS**THydrogen-bonded Turntrans-63.2-19.3170.4-158.175.7-1.400112.9A862 D863 S864A862-Q866 PolarHBondContact O-N 3.21Å; D863-Q866 WeakPolarHBondContact O-CB 3.37Å; S864-Q866 PolarHBondContact O-N 2.97Å
867E55.9Low61.5Low157 Ų157120 Ų12073%0.73463%0.634SS**THydrogen-bonded Turntrans-96.8-19.4-168.6-160.7174.1-157.100114.2S864 K865S864-E867 VanDerWaalsContact O-CB 3.24Å; S864-E867 WeakPolarHBondContact O-CB 3.38Å; S864-E867 PolarHBondContact O-N 2.93Å; K865-E867 PolarHBondContact O-N 3.05Å
868N51.3Low61Low110 Ų110120.3 Ų120.359%0.58864%0.636SS**  trans-121.952.6-152.5-130.1-45.9000115.9G870N868-G870 PolarHBondContact O-N 3.12Å
869I53.5Low60.6Low164 Ų164122.4 Ų122.484%0.84164%0.641SS**  trans-73-3.4-174.9-70.6172.2000114.2L871I869-L871 PolarHBondContact O-N 3.38Å
870G58.4Low60.5Low62 Ų62119 Ų11964%0.63963%0.633SS**  trans-90.515.9-160.800000120N868N868-G870 PolarHBondContact O-N 3.12Å
871L55.9Low60.6Low122 Ų122116.6 Ų116.664%0.63963%0.631SS**  trans-93.26.7-170.2-81.4172.6000117I869 D873 K874I869-L871 PolarHBondContact O-N 3.38Å; L871-D873 VanDerWaalsContact C-N 3.34Å; L871-D873 PolarHBondContact O-N 2.89Å; L871-K874 HydrophobicContact CD2-CD 4.43Å
872S56Low60.7Low97 Ų97113.5 Ų113.568%0.67862%0.624SS**THydrogen-bonded Turntrans-59.7-35.5-172.2-166.90000114.9K874 L875S872-K874 VanDerWaalsContact C-N 3.31Å; S872-K874 PolarHBondContact O-N 2.85Å; S872-L875 PolarHBondContact O-N 3.47Å
873D58.4Low60.8Low129 Ų129115.2 Ų115.269%0.6963%0.629SS**THydrogen-bonded Turntrans-69.9-25.5-164.3-59.7-29.2000114.1L871 L875 S876L871-D873 VanDerWaalsContact C-N 3.34Å; L871-D873 PolarHBondContact O-N 2.89Å; D873-L875 PolarHBondContact O-N 3.22Å; D873-S876 WeakPolarHBondContact O-CB 3.38Å; D873-S876 PolarHBondContact O-N 3.49Å; D873-S876 VanDerWaalsContact O-N 3.13Å
874K60.2Low61.3Low162 Ų162115.1 Ų115.170%0.70462%0.624SS**Hα-helixtrans-67.6-20.5-177.2-68.4-174.7178.7179.60113.8L871 S872L871-K874 HydrophobicContact CD2-CD 4.43Å; S872-K874 VanDerWaalsContact C-N 3.31Å; S872-K874 PolarHBondContact O-N 2.85Å
875L58.6Low61.9Low141 Ų141119.7 Ų119.774%0.73864%0.64SS**Hα-helixtrans-74.3-27175.1-105.1164.8000112.5S872 D873S872-L875 PolarHBondContact O-N 3.47Å; D873-L875 PolarHBondContact O-N 3.22Å
876S65.1Low62.2Low88 Ų88117.6 Ų117.662%0.61564%0.636SS**Hα-helixtrans-68-36.5178.6-1680000112.1D873 L878D873-S876 WeakPolarHBondContact O-CB 3.38Å; D873-S876 PolarHBondContact O-N 3.49Å; D873-S876 VanDerWaalsContact O-N 3.13Å; S876-L878 VanDerWaalsContact C-N 3.34Å; S876-L878 PolarHBondContact O-N 2.81Å
877T65Low62.8Low94 Ų94117 Ų11758%0.57763%0.633SS**Hα-helixtrans-70.1-27.3-176.1-30.60000113.6
878L64.3Low63.1Low113 Ų113113 Ų11359%0.59263%0.626SS**Hα-helixtrans-74.1-32.6-177.3-165.571.5000112.3S876 T880S876-L878 VanDerWaalsContact C-N 3.34Å; S876-L878 PolarHBondContact O-N 2.81Å; L878-T880 VanDerWaalsContact C-N 3.34Å; L878-T880 PolarHBondContact O-N 3.37Å
879N65.2Low63.6Low120 Ų120113.6 Ų113.664%0.64263%0.629SS**Hα-helixtrans-67.9-33.7-177.2-12111.6000112.3L881 I882N879-L881 VanDerWaalsContact C-N 3.35Å; N879-L881 PolarHBondContact O-N 3.44Å; N879-I882 PolarHBondContact O-N 2.74Å
880T70.8Confident64.4Low78 Ų78112.7 Ų112.748%0.47962%0.619SS.*Hα-helixtrans-64.3-37-178.7-35.10000112.8L878 I882 T883 E884L878-T880 VanDerWaalsContact C-N 3.34Å; L878-T880 PolarHBondContact O-N 3.37Å; T880-I882 VanDerWaalsContact C-N 3.28Å; T880-I882 PolarHBondContact O-N 3.03Å; T880-T883 PolarHBondContact O-N 2.88Å; T880-T883 PolarHBondContact O-OG1 3.25Å; T880-E884 PolarHBondContact O-N 3.02Å
881L69.1Low64.9Low104 Ų104114.4 Ų114.455%0.54562%0.617SS.*Hα-helixtrans-67.3-27.4178.6-80.9161.1000113.1N879 Q885N879-L881 VanDerWaalsContact C-N 3.35Å; N879-L881 PolarHBondContact O-N 3.44Å; L881-Q885 PolarHBondContact O-N 3.44Å
882I67.3Low65.3Low94 Ų94112.7 Ų112.748%0.48262%0.615SS.*Hα-helixtrans-73-33.2178.4-62.4175000110.6N879 T880 N886N879-I882 PolarHBondContact O-N 2.74Å; T880-I882 VanDerWaalsContact C-N 3.28Å; T880-I882 PolarHBondContact O-N 3.03Å; I882-N886 PolarHBondContact O-ND2 3.26Å
883T68.5Low65.7Low93 Ų93115 Ų11557%0.57162%0.615SS**Hα-helixtrans-65.7-42.7172.9220000112.6T880 Q885 N886T880-T883 PolarHBondContact O-N 2.88Å; T880-T883 PolarHBondContact O-OG1 3.25Å; T883-Q885 VanDerWaalsContact C-N 3.35Å; T883-Q885 PolarHBondContact O-N 2.64Å; T883-N886 PolarHBondContact O-N 3Å
884E70.6Confident66.2Low121 Ų121115.3 Ų115.357%0.56561%0.612SS**Hα-helixtrans-64-34.7-177.8-66.9176.7162.800113.1T880 N886T880-E884 PolarHBondContact O-N 3.02Å; E884-N886 VanDerWaalsContact C-N 3.29Å; E884-N886 PolarHBondContact O-N 3.42Å
885Q68.2Low66.5Low149 Ų149113 Ų11370%0.69661%0.608SS**Hα-helixtrans-66.8-26176.6-75.7-163.3-42.600114.1L881 T883L881-Q885 PolarHBondContact O-N 3.44Å; T883-Q885 VanDerWaalsContact C-N 3.35Å; T883-Q885 PolarHBondContact O-N 2.64Å
886N67Low66.8Low105 Ų105113.5 Ų113.556%0.56160%0.604SS**Hα-helixtrans-79.3-27.6-176.5-77.8-75.7000113I882 T883 E884I882-N886 PolarHBondContact O-ND2 3.26Å; T883-N886 PolarHBondContact O-N 3Å; E884-N886 VanDerWaalsContact C-N 3.29Å; E884-N886 PolarHBondContact O-N 3.42Å
887E69.4Low66.8Low155 Ų155116.7 Ų116.772%0.72461%0.609SS**Hα-helixtrans-73.4-34.2175.7-63.9-166.8133.300111.9L889 K890E887-L889 VanDerWaalsContact C-N 3.26Å; E887-L889 PolarHBondContact O-N 2.92Å; E887-K890 PolarHBondContact O-N 3.49Å
888A62.3Low67Low71 Ų71118.2 Ų118.259%0.58761%0.613SS**Hα-helixtrans-61.8-30.4178.300000113.7K890A888-K890 VanDerWaalsContact C-N 3.33Å; A888-K890 PolarHBondContact O-N 3.36Å
889L61.5Low67Low124 Ų124117.9 Ų117.965%0.64961%0.612SS**Hα-helixtrans-67.7-32.1177.8-105.3164.9000112.8E887 V891 S892E887-L889 VanDerWaalsContact C-N 3.26Å; E887-L889 PolarHBondContact O-N 2.92Å; L889-V891 PolarHBondContact O-N 2.87Å; L889-S892 PolarHBondContact O-N 2.84Å
890K71.9Confident67.1Low145 Ų145117.8 Ų117.863%0.6361%0.61SS**Hα-helixtrans-70.6-34.3-171.4-162.6179.9-179.3-170.40113.2E887 A888 S892 E893E887-K890 PolarHBondContact O-N 3.49Å; A888-K890 VanDerWaalsContact C-N 3.33Å; A888-K890 PolarHBondContact O-N 3.36Å; K890-S892 PolarHBondContact O-N 3.1Å; K890-E893 PolarHBondContact O-N 3.28Å
891V68.1Low67Low97 Ų97117.2 Ų117.259%0.58861%0.614SS**Hα-helixtrans-64-29.5177.6-177.20000111.5L889 E893 E894L889-V891 PolarHBondContact O-N 2.87Å; V891-E893 VanDerWaalsContact C-N 3.27Å; V891-E893 PolarHBondContact O-N 3.26Å; V891-E894 PolarHBondContact O-N 3.14Å
892S63.9Low67.2Low86 Ų86117.9 Ų117.960%0.60161%0.614SS**Hα-helixtrans-73.6-11.8-178.3-171.20000114.6L889 K890L889-S892 PolarHBondContact O-N 2.84Å; K890-S892 PolarHBondContact O-N 3.1Å
893E64.7Low67.2Low147 Ų147118.3 Ų118.369%0.68762%0.617SS**Hα-helixtrans-89.2-29.8176.1-63.3-163.8121.200112.3K890 V891 K896K890-E893 PolarHBondContact O-N 3.28Å; V891-E893 VanDerWaalsContact C-N 3.27Å; V891-E893 PolarHBondContact O-N 3.26Å; E893-K896 VanDerWaalsContact O-CB 3.32Å; E893-K896 WeakPolarHBondContact O-CB 3.49Å; E893-K896 PolarHBondContact O-N 3.14Å
894E68.3Low67.4Low134 Ų134121 Ų12163%0.62662%0.623SS**Hα-helixtrans-70-37.7-177.1-63.8-177.5168.200112.4V891 K896 E897V891-E894 PolarHBondContact O-N 3.14Å; E894-K896 PolarHBondContact O-N 3.06Å; E894-K896 VanDerWaalsContact O-N 3.13Å; E894-E897 PolarHBondContact O-N 3.43Å
895D66Low67.6Low113 Ų113117.5 Ų117.560%0.60462%0.62SS**Hα-helixtrans-59.5-23.7173.8-91.3-19.3000113.3
896K65.7Low67.7Low153 Ų153117.3 Ų117.367%0.66561%0.614SS**Hα-helixtrans-76.1-29.2-175.5-169.2179.2175.1-174.80113E893 E894E893-K896 VanDerWaalsContact O-CB 3.32Å; E893-K896 WeakPolarHBondContact O-CB 3.49Å; E893-K896 PolarHBondContact O-N 3.14Å; E894-K896 PolarHBondContact O-N 3.06Å; E894-K896 VanDerWaalsContact O-N 3.13Å
897E66Low67.8Low154 Ų154115.2 Ų115.272%0.7261%0.611SS**Hα-helixtrans-74.7-32.1177.9-64.1-158.6135.600112E894 L899 L900 A901E894-E897 PolarHBondContact O-N 3.43Å; E897-L899 PolarHBondContact O-N 3.48Å; E897-L900 PolarHBondContact O-N 3.21Å; E897-L900 VanDerWaalsContact O-N 3.17Å; E897-A901 PolarHBondContact O-N 3.32Å
898L67.8Low68Low127 Ų127115.3 Ų115.367%0.66561%0.609SS**Hα-helixtrans-59.3-42.7176.3-100.7161.1000112.6L900 A901L898-L900 VanDerWaalsContact C-N 3.27Å; L898-L900 PolarHBondContact O-N 3.16Å; L898-A901 PolarHBondContact O-N 3.17Å
899L65.6Low68.6Low106 Ų106117.1 Ų117.156%0.55561%0.609SS**Hα-helixtrans-67-22.4177.9-84.9164.2000114E897 N903E897-L899 PolarHBondContact O-N 3.48Å; L899-N903 PolarHBondContact O-ND2 3.38Å
900L67.4Low69Low117 Ų117117.3 Ų117.361%0.61361%0.61SS**Hα-helixtrans-76.1-30.8175.1-78.2165.8000112.3E897 L898E897-L900 PolarHBondContact O-N 3.21Å; E897-L900 VanDerWaalsContact O-N 3.17Å; L898-L900 VanDerWaalsContact C-N 3.27Å; L898-L900 PolarHBondContact O-N 3.16Å
901A67.6Low69Low67 Ų67117.2 Ų117.255%0.55461%0.611SS**Hα-helixtrans-69-41.717700000112.3E897 L898 N903 Q904E897-A901 PolarHBondContact O-N 3.32Å; L898-A901 PolarHBondContact O-N 3.17Å; A901-N903 PolarHBondContact O-N 3.42Å; A901-Q904 PolarHBondContact O-N 3.17Å
902E72.6Confident69.2Low117 Ų117119.6 Ų119.655%0.54762%0.616SS.*Hα-helixtrans-65-38.5-178.7-170.8168.7-139.300112.5Q904 G905 Y906E902-Q904 VanDerWaalsContact C-N 3.28Å; E902-Q904 PolarHBondContact O-N 3.29Å; E902-G905 WeakPolarHBondContact O-CA 3.35Å; E902-G905 PolarHBondContact O-N 2.93Å; E902-Y906 HydrophobicContact CG-CE2 4.17Å
903N69.1Low69.8Low103 Ų103122.8 Ų122.855%0.55162%0.619SS**Hα-helixtrans-62.4-29.6177.9-83.5-76.2000113.7L899 A901 G905 Y906L899-N903 PolarHBondContact O-ND2 3.38Å; A901-N903 PolarHBondContact O-N 3.42Å; N903-G905 PolarHBondContact O-N 3.21Å; N903-Y906 PolarHBondContact O-N 2.86Å
904Q71.1Confident70.3Confident149 Ų149120 Ų12070%0.69661%0.609SS**Hα-helixtrans-68.5-21.3173.2-66.5-168.90.900113.1A901 E902A901-Q904 PolarHBondContact O-N 3.17Å; E902-Q904 VanDerWaalsContact C-N 3.28Å; E902-Q904 PolarHBondContact O-N 3.29Å
905G74.7Confident70.5Confident48 Ų48119.6 Ų119.650%0.49561%0.61SS.*Hα-helixtrans-68.8-46.5173.300000112.3E902 N903 A907 K908E902-G905 WeakPolarHBondContact O-CA 3.35Å; E902-G905 PolarHBondContact O-N 2.93Å; N903-G905 PolarHBondContact O-N 3.21Å; G905-A907 VanDerWaalsContact C-N 3.35Å; G905-A907 PolarHBondContact O-N 3.19Å; G905-K908 PolarHBondContact O-N 2.92Å
906Y71.9Confident70.8Confident145 Ų145119.9 Ų119.957%0.56961%0.611SS**Hα-helixtrans-64.8-34.6-178.3-73.4-66.8000113.6E902 N903 K908 L909 L910E902-Y906 HydrophobicContact CG-CE2 4.17Å; N903-Y906 PolarHBondContact O-N 2.86Å; Y906-K908 VanDerWaalsContact C-N 3.31Å; Y906-K908 PolarHBondContact O-N 3.16Å; Y906-L909 PolarHBondContact O-N 3.46Å; Y906-L909 VanDerWaalsContact O-N 3.13Å; Y906-L910 PolarHBondContact O-N 3.1Å
907A68.2Low71.1Confident62 Ų62116.7 Ų116.751%0.51260%0.604SS.*Hα-helixtrans-56.3-42.4178.400000112.8G905 L909 L910G905-A907 VanDerWaalsContact C-N 3.35Å; G905-A907 PolarHBondContact O-N 3.19Å; A907-L909 VanDerWaalsContact C-N 3.3Å; A907-L909 PolarHBondContact O-N 3.17Å; A907-L910 PolarHBondContact O-N 2.89Å
908K73.8Confident71.6Confident156 Ų156115.2 Ų115.268%0.67860%0.595SS**Hα-helixtrans-71-22.3-179.9-69.7179.3177.4173.70113.8G905 Y906G905-K908 PolarHBondContact O-N 2.92Å; Y906-K908 VanDerWaalsContact C-N 3.31Å; Y906-K908 PolarHBondContact O-N 3.16Å
909L73.7Confident71.7Confident110 Ų110114.3 Ų114.358%0.57659%0.591SS**Hα-helixtrans-77.9-29.5178.4-161.575.1000112.1Y906 A907Y906-L909 PolarHBondContact O-N 3.46Å; Y906-L909 VanDerWaalsContact O-N 3.13Å; A907-L909 VanDerWaalsContact C-N 3.3Å; A907-L909 PolarHBondContact O-N 3.17Å
910L70.4Confident72.1Confident128 Ų128114.2 Ų114.267%0.6759%0.59SS**Hα-helixtrans-69.1-43.7174.9-82.8161.2000111.8Y906 A907 Q912 K913 D914Y906-L910 PolarHBondContact O-N 3.1Å; A907-L910 PolarHBondContact O-N 2.89Å; L910-Q912 VanDerWaalsContact C-N 3.27Å; L910-Q912 PolarHBondContact O-N 2.87Å; L910-K913 PolarHBondContact O-N 2.9Å; L910-D914 PolarHBondContact O-N 3.36Å
911E71.3Confident72.2Confident143 Ų143115 Ų11567%0.66859%0.591SS**Hα-helixtrans-58.7-35.4-177.8-165.2170.5-138.600112.8K913E911-K913 PolarHBondContact O-N 3Å
912Q73.1Confident72.3Confident146 Ų146119.3 Ų119.368%0.68260%0.599SS**Hα-helixtrans-68.7-27.7173.6-76.3-166.9-2300114.3L910L910-Q912 VanDerWaalsContact C-N 3.27Å; L910-Q912 PolarHBondContact O-N 2.87Å
913K76.7Confident72.2Confident153 Ų153119.6 Ų119.667%0.66560%0.601SS**Hα-helixtrans-80-33.4179.9-73.3-154.8173.7-169.90112.9L910 E911 I915 L916 V917L910-K913 PolarHBondContact O-N 2.9Å; E911-K913 PolarHBondContact O-N 3Å; K913-I915 VanDerWaalsContact C-N 3.26Å; K913-I915 PolarHBondContact O-N 2.78Å; K913-L916 PolarHBondContact O-N 2.79Å; K913-L916 VanDerWaalsContact O-N 3.09Å; K913-V917 PolarHBondContact O-N 3.27Å
914D74.3Confident72.3Confident88 Ų88120.3 Ų120.347%0.47160%0.604SS.*Hα-helixtrans-64.2-31.8-177.6-161.867.7000112.7L910 L916 K918L910-D914 PolarHBondContact O-N 3.36Å; D914-L916 VanDerWaalsContact C-N 3.32Å; D914-L916 PolarHBondContact O-N 2.89Å; D914-K918 IonicContact OD2-NZ 3.94Å; D914-K918 PolarHBondContact OD2-NZ 2.71Å
915I74.4Confident72.2Confident126 Ų126116.6 Ų116.665%0.64660%0.595SS**Hα-helixtrans-62-39.4173.6-61.9173.7000111.3K913K913-I915 VanDerWaalsContact C-N 3.26Å; K913-I915 PolarHBondContact O-N 2.78Å
916L70.8Confident71.8Confident120 Ų120119 Ų11963%0.62860%0.6SS**Hα-helixtrans-78-25.6-173.6-149.7153.4000112.3K913 D914K913-L916 PolarHBondContact O-N 2.79Å; K913-L916 VanDerWaalsContact O-N 3.09Å; D914-L916 VanDerWaalsContact C-N 3.32Å; D914-L916 PolarHBondContact O-N 2.89Å
917V73.4Confident71.7Confident85 Ų85117.2 Ų117.252%0.51560%0.6SS.*Hα-helixtrans-68.5-39.7175.1175.40000111.7K913 D919 L920 Q921K913-V917 PolarHBondContact O-N 3.27Å; V917-D919 VanDerWaalsContact C-N 3.34Å; V917-D919 PolarHBondContact O-N 3.09Å; V917-L920 PolarHBondContact O-N 3.43Å; V917-Q921 PolarHBondContact O-N 2.82Å; V917-Q921 VanDerWaalsContact O-N 3.14Å
918K74.5Confident71.7Confident123 Ų123118.6 Ų118.654%0.53560%0.602SS.*Hα-helixtrans-63.4-36.8-177.4-75.6163.7175.7147.30113D914 Q921 Q922D914-K918 IonicContact OD2-NZ 3.94Å; D914-K918 PolarHBondContact OD2-NZ 2.71Å; K918-Q921 PolarHBondContact O-N 2.91Å; K918-Q922 PolarHBondContact O-N 3.31Å
919D71.6Confident71.2Confident109 Ų109116.4 Ų116.458%0.58360%0.597SS**Hα-helixtrans-67.5-37.8-179.8-157.155.2000112.3V917V917-D919 VanDerWaalsContact C-N 3.34Å; V917-D919 PolarHBondContact O-N 3.09Å
920L72.4Confident70.7Confident104 Ų104116.9 Ų116.955%0.54560%0.601SS.*Hα-helixtrans-68.2-36.8172.2-74.9167.9000112.5V917 Q922 Q923V917-L920 PolarHBondContact O-N 3.43Å; L920-Q922 VanDerWaalsContact C-N 3.28Å; L920-Q922 PolarHBondContact O-N 3.32Å; L920-Q923 PolarHBondContact O-N 2.97Å
921Q70.5Confident70.3Confident134 Ų134118 Ų11863%0.62660%0.597SS**Hα-helixtrans-65.2-32.2-177.8-162.1169.613.200112.2V917 K918V917-Q921 PolarHBondContact O-N 2.82Å; V917-Q921 VanDerWaalsContact O-N 3.14Å; K918-Q921 PolarHBondContact O-N 2.91Å
922Q70.1Confident69.7Low156 Ų156114.1 Ų114.173%0.72959%0.589SS**Hα-helixtrans-74.2-28.4178.3-168.3154.91.400113.5K918 L920K918-Q922 PolarHBondContact O-N 3.31Å; L920-Q922 VanDerWaalsContact C-N 3.28Å; L920-Q922 PolarHBondContact O-N 3.32Å
923Q70.7Confident69.1Low123 Ų123112.1 Ų112.158%0.57559%0.587SS**Hα-helixtrans-70.8-30.9175.8-62.4-178.721.600112.7L920 T926L920-Q923 PolarHBondContact O-N 2.97Å; Q923-T926 PolarHBondContact O-OG1 2.8Å
924L70.9Confident68.3Low119 Ų119111.6 Ų111.662%0.62359%0.587SS**Hα-helixtrans-65.1-41.1178.2-102.4162000112.5T926 L927L924-T926 VanDerWaalsContact C-N 3.28Å; L924-T926 PolarHBondContact O-N 2.72Å; L924-L927 PolarHBondContact O-N 3.36Å
925S68.4Low67.6Low71 Ų71112.6 Ų112.650%0.49759%0.592SS.*Hα-helixtrans-56.9-40.4-177.4-163.70000112.6L927 T928S925-L927 PolarHBondContact O-N 3.25Å; S925-T928 PolarHBondContact O-N 3.3Å
926T66.7Low67.1Low99 Ų99109.6 Ų109.661%0.60758%0.581SS**Hα-helixtrans-69.1-11.2179.935.40000115Q923 L924 N930Q923-T926 PolarHBondContact O-OG1 2.8Å; L924-T926 VanDerWaalsContact C-N 3.28Å; L924-T926 PolarHBondContact O-N 2.72Å; T926-N930 PolarHBondContact O-ND2 3.28Å
927L69.5Low66.6Low107 Ų107111.1 Ų111.156%0.5659%0.585SS**Hα-helixtrans-89.8-33.1174.2-166.967.2000111.9L924 S925L924-L927 PolarHBondContact O-N 3.36Å; S925-L927 PolarHBondContact O-N 3.25Å
928T67.6Low66.1Low90 Ų90109.6 Ų109.655%0.55258%0.582SS**Hα-helixtrans-63.3-43.8-176.4-57.60000112.8S925 N930 Y931 A932S925-T928 PolarHBondContact O-N 3.3Å; T928-N930 PolarHBondContact O-N 3.5Å; T928-N930 VanDerWaalsContact O-N 3.16Å; T928-Y931 PolarHBondContact O-N 3.48Å; T928-A932 PolarHBondContact O-N 2.69Å
929D64.3Low65.8Low111 Ų111108.7 Ų108.759%0.59458%0.583SS**Hα-helixtrans-59.9-30.8-175.4-64.5-24.7000113.2
930N62.8Low65.7Low120 Ų120110.8 Ų110.864%0.64259%0.587SS**Hα-helixtrans-72.9-26.7178.3-74.1-60.9000113.3T926 T928T926-N930 PolarHBondContact O-ND2 3.28Å; T928-N930 PolarHBondContact O-N 3.5Å; T928-N930 VanDerWaalsContact O-N 3.16Å
931Y63.3Low65.6Low151 Ų151111.8 Ų111.859%0.59259%0.592SS**Hα-helixtrans-78.5-27.7177.2-92.3-80.5000112.8T928 V933 Q934T928-Y931 PolarHBondContact O-N 3.48Å; Y931-V933 PolarHBondContact O-N 2.94Å; Y931-Q934 PolarHBondContact O-N 3.48Å
932A57.1Low65.8Low61 Ų61110 Ų11050%0.50458%0.582SS.*Hα-helixtrans-58.9-33.3-177.900000113.4T928T928-A932 PolarHBondContact O-N 2.69Å
933V60.9Low65.8Low105 Ų105108.1 Ų108.164%0.63657%0.573SS**Hα-helixtrans-68.1-40.4-179.3-177.90000111.9Y931 L935 S936Y931-V933 PolarHBondContact O-N 2.94Å; V933-L935 VanDerWaalsContact C-N 3.32Å; V933-L935 PolarHBondContact O-N 2.68Å; V933-S936 PolarHBondContact O-N 3.42Å; V933-S936 PolarHBondContact O-OG 2.84Å
934Q60.7Low65.9Low141 Ų141104.1 Ų104.166%0.65957%0.566SS**Hα-helixtrans-71.2-25.8-177.3-68-173.4-10.600113.2Y931 S936Y931-Q934 PolarHBondContact O-N 3.48Å; Q934-S936 VanDerWaalsContact C-N 3.3Å; Q934-S936 PolarHBondContact O-N 2.8Å
935L58.5Low66.1Low110 Ų110104.9 Ų104.958%0.57657%0.568SS**Hα-helixtrans-64.1-34.5175.6-74.8161.9000112.2V933 E937 A938 D939V933-L935 VanDerWaalsContact C-N 3.32Å; V933-L935 PolarHBondContact O-N 2.68Å; L935-E937 PolarHBondContact O-N 2.77Å; L935-E937 VanDerWaalsContact O-N 3.1Å; L935-A938 WeakPolarHBondContact O-CB 3.46Å; L935-A938 PolarHBondContact O-N 2.84Å; L935-D939 PolarHBondContact O-N 3.06Å
936S63.5Low66.4Low62 Ų62105.9 Ų105.943%0.43456%0.564SS.*Hα-helixtrans-66.4-13.2-176.772.50000115.7V933 Q934V933-S936 PolarHBondContact O-N 3.42Å; V933-S936 PolarHBondContact O-OG 2.84Å; Q934-S936 VanDerWaalsContact C-N 3.3Å; Q934-S936 PolarHBondContact O-N 2.8Å
937E61.6Low66.6Low152 Ų152107.3 Ų107.371%0.7156%0.564SS**Hα-helixtrans-89.2-26.1169.4-66.2-164.413000112.6L935L935-E937 PolarHBondContact O-N 2.77Å; L935-E937 VanDerWaalsContact O-N 3.1Å
938A62.9Low66.8Low54 Ų54108 Ų10845%0.44657%0.568SS.*Hα-helixtrans-71-35.9176.300000112L935 K940 L941 K942L935-A938 WeakPolarHBondContact O-CB 3.46Å; L935-A938 PolarHBondContact O-N 2.84Å; A938-K940 VanDerWaalsContact C-N 3.29Å; A938-K940 PolarHBondContact O-N 3.13Å; A938-L941 WeakPolarHBondContact O-CA 3.22Å; A938-L941 WeakPolarHBondContact O-CB 3.25Å; A938-L941 PolarHBondContact O-N 2.96Å; A938-K942 PolarHBondContact O-N 3.07Å
939D68Low67.1Low103 Ų103105.9 Ų105.955%0.55156%0.56SS**Hα-helixtrans-57.2-39.5179.2-64.6-37.8000112.6L935 L941 K942 E943L935-D939 PolarHBondContact O-N 3.06Å; D939-L941 VanDerWaalsContact C-N 3.26Å; D939-L941 PolarHBondContact O-N 3.32Å; D939-K942 WeakPolarHBondContact O-CB 3.36Å; D939-K942 PolarHBondContact O-N 2.89Å; D939-K942 VanDerWaalsContact O-N 3.14Å; D939-E943 PolarHBondContact O-N 2.7Å
940K69.2Low67.5Low154 Ų154105.8 Ų105.867%0.6756%0.556SS**Hα-helixtrans-67.2-26.7176.1-67.8176.4-177.21660113.2A938 G944A938-K940 VanDerWaalsContact C-N 3.29Å; A938-K940 PolarHBondContact O-N 3.13Å; K940-G944 PolarHBondContact O-N 2.8Å
941L70.6Confident68.1Low125 Ų125106.3 Ų106.365%0.65455%0.554SS**Hα-helixtrans-77.6-34.4173-114.3166.6000111A938 D939 G944 M945A938-L941 WeakPolarHBondContact O-CA 3.22Å; A938-L941 WeakPolarHBondContact O-CB 3.25Å; A938-L941 PolarHBondContact O-N 2.96Å; D939-L941 VanDerWaalsContact C-N 3.26Å; D939-L941 PolarHBondContact O-N 3.32Å; L941-G944 PolarHBondContact O-N 3.14Å; L941-M945 WeakPolarHBondContact O-CG 3.35Å; L941-M945 PolarHBondContact O-N 3.32Å
942K74.7Confident68.9Low97 Ų97105.5 Ų105.542%0.42255%0.554SS.*Hα-helixtrans-61.4-49.8172-162.7-174.4-163.3-94.60111.2D337 A938 D939 G944 M945 E946D337-K942 IonicContact OD2-NZ 3.26Å; D337-K942 PolarHBondContact OD2-NZ 2.88Å; A938-K942 PolarHBondContact O-N 3.07Å; D939-K942 WeakPolarHBondContact O-CB 3.36Å; D939-K942 PolarHBondContact O-N 2.89Å; D939-K942 VanDerWaalsContact O-N 3.14Å; K942-G944 VanDerWaalsContact C-N 3.27Å; K942-G944 PolarHBondContact O-N 3.27Å; K942-M945 WeakPolarHBondContact O-CA 3.07Å; K942-M945 PolarHBondContact O-N 3.05Å; K942-E946 HydrophobicContact CG-CG 4.45Å; K942-E946 IonicContact NZ-OE1 3.96Å; K942-E946 PolarHBondContact NZ-OE1 2.84Å; K942-E946 WeakPolarHBondContact O-CG 3.41Å; K942-E946 PolarHBondContact O-N 3.1Å
943E70.5Confident69.9Low115 Ų115106.1 Ų106.154%0.53755%0.549SS..Hα-helixtrans-55.8-39.9179-171.9178-16000112.2D939 E946 Q947D939-E943 PolarHBondContact O-N 2.7Å; E943-E946 PolarHBondContact O-N 2.91Å; E943-Q947 WeakPolarHBondContact O-CG 3.42Å; E943-Q947 PolarHBondContact O-N 3.41Å
944G73Confident70.7Confident40 Ų40108.9 Ų108.941%0.41255%0.548SS..Hα-helixtrans-68.6-32.1174.400000114.4K940 L941 K942K940-G944 PolarHBondContact O-N 2.8Å; L941-G944 PolarHBondContact O-N 3.14Å; K942-G944 VanDerWaalsContact C-N 3.27Å; K942-G944 PolarHBondContact O-N 3.27Å
945M74.8Confident71.4Confident135 Ų135108.4 Ų108.467%0.66555%0.549SS*.Hα-helixtrans-76.5-33.3174.5-70.5-167.170.300112.6L941 K942 L948 A949L941-M945 WeakPolarHBondContact O-CG 3.35Å; L941-M945 PolarHBondContact O-N 3.32Å; K942-M945 WeakPolarHBondContact O-CA 3.07Å; K942-M945 PolarHBondContact O-N 3.05Å; M945-L948 PolarHBondContact O-N 3.4Å; M945-A949 WeakPolarHBondContact O-CB 3.43Å; M945-A949 PolarHBondContact O-N 2.9Å
946E73.7Confident72.3Confident91 Ų91106.8 Ų106.843%0.42554%0.54SS..Hα-helixtrans-64.1-42.4176.1-73.7172.417700111.6K942 E943 L948 A949 E950K942-E946 HydrophobicContact CG-CG 4.45Å; K942-E946 IonicContact NZ-OE1 3.96Å; K942-E946 PolarHBondContact NZ-OE1 2.84Å; K942-E946 WeakPolarHBondContact O-CG 3.41Å; K942-E946 PolarHBondContact O-N 3.1Å; E943-E946 PolarHBondContact O-N 2.91Å; E946-L948 VanDerWaalsContact C-N 3.31Å; E946-L948 PolarHBondContact O-N 3.31Å; E946-A949 WeakPolarHBondContact O-CB 3.27Å; E946-A949 PolarHBondContact O-N 3.01Å; E946-E950 PolarHBondContact O-N 2.77Å
947Q72.3Confident72.8Confident129 Ų129108.5 Ų108.560%0.60354%0.544SS*.Hα-helixtrans-60.8-39.5173.7-67.91782300112.4E943 E950 E951E943-Q947 WeakPolarHBondContact O-CG 3.42Å; E943-Q947 PolarHBondContact O-N 3.41Å; Q947-E950 PolarHBondContact O-N 3.1Å; Q947-E951 PolarHBondContact O-N 2.7Å
948L73.3Confident73.4Confident121 Ų121104 Ų10463%0.63453%0.533SS*.Hα-helixtrans-69.2-34.2176.2-118.7167.5000112.3M945 E946 K952M945-L948 PolarHBondContact O-N 3.4Å; E946-L948 VanDerWaalsContact C-N 3.31Å; E946-L948 PolarHBondContact O-N 3.31Å; L948-K952 VanDerWaalsContact O-CB 3.28Å; L948-K952 WeakPolarHBondContact O-CB 3.39Å; L948-K952 PolarHBondContact O-N 3.35Å
949A73.2Confident73.8Confident47 Ų47105.7 Ų105.739%0.38854%0.54SS..Hα-helixtrans-69.5-38.6173.200000112M945 E946 N953M945-A949 WeakPolarHBondContact O-CB 3.43Å; M945-A949 PolarHBondContact O-N 2.9Å; E946-A949 WeakPolarHBondContact O-CB 3.27Å; E946-A949 PolarHBondContact O-N 3.01Å; A949-N953 WeakPolarHBondContact O-CB 3.29Å; A949-N953 VanDerWaalsContact O-CG 3.3Å; A949-N953 PolarHBondContact O-N 3.01Å; A949-N953 PolarHBondContact O-ND2 2.8Å
950E74Confident74.2Confident109 Ų109105.8 Ų105.851%0.50954%0.539SS..Hα-helixtrans-60.8-49.8171.1-87.8-155.8-149.600112.1E946 Q947 K952 N953 R954E946-E950 PolarHBondContact O-N 2.77Å; Q947-E950 PolarHBondContact O-N 3.1Å; E950-K952 VanDerWaalsContact C-N 3.34Å; E950-K952 PolarHBondContact O-N 2.82Å; E950-N953 PolarHBondContact O-N 2.97Å; E950-N953 VanDerWaalsContact O-N 3.1Å; E950-R954 VanDerWaalsContact O-CG 3.32Å; E950-R954 WeakPolarHBondContact O-CG 3.36Å; E950-R954 PolarHBondContact O-N 3.46Å; E950-R954 IonicContact OE2-CZ 2.65Å; E950-R954 IonicContact OE2-NE 2.77Å; E950-R954 IonicContact OE2-NH2 2.78Å; E950-R954 PolarHBondContact OE2-NH2 3.46Å
951E74Confident74.4Confident130 Ų130104 Ų10461%0.60754%0.536SS*.Hα-helixtrans-64-40.2-179.6-172.2163.8-145.200111.7Q947 N953 R954 L955Q947-E951 PolarHBondContact O-N 2.7Å; E951-N953 VanDerWaalsContact C-N 3.35Å; E951-N953 PolarHBondContact O-N 2.75Å; E951-R954 PolarHBondContact O-N 2.72Å; E951-L955 WeakPolarHBondContact O-CB 3.26Å; E951-L955 PolarHBondContact O-N 2.71Å
952K80.8Confident74.8Confident135 Ų135105.3 Ų105.359%0.58754%0.537SS*.Hα-helixtrans-56.4-45.7169.5178.9-173.9174.3-171.20111.9L948 E950 L955 I956L948-K952 VanDerWaalsContact O-CB 3.28Å; L948-K952 WeakPolarHBondContact O-CB 3.39Å; L948-K952 PolarHBondContact O-N 3.35Å; E950-K952 VanDerWaalsContact C-N 3.34Å; E950-K952 PolarHBondContact O-N 2.82Å; K952-L955 PolarHBondContact O-N 2.92Å; K952-I956 HydrophobicContact CG-CD1 3.9Å; K952-I956 WeakPolarHBondContact O-CB 3.15Å; K952-I956 VanDerWaalsContact O-CG1 3.29Å; K952-I956 WeakPolarHBondContact O-CG1 3.26Å; K952-I956 PolarHBondContact O-N 3.31Å
953N77.7Confident74.7Confident74 Ų74108 Ų10840%0.39655%0.548SS..Hα-helixtrans-68-37.2178.8-77.6-21.6000112.5A949 E950 E951 L955 I956 N957A949-N953 WeakPolarHBondContact O-CB 3.29Å; A949-N953 VanDerWaalsContact O-CG 3.3Å; A949-N953 PolarHBondContact O-N 3.01Å; A949-N953 PolarHBondContact O-ND2 2.8Å; E950-N953 PolarHBondContact O-N 2.97Å; E950-N953 VanDerWaalsContact O-N 3.1Å; E951-N953 VanDerWaalsContact C-N 3.35Å; E951-N953 PolarHBondContact O-N 2.75Å; N953-L955 VanDerWaalsContact C-N 3.34Å; N953-I956 PolarHBondContact O-N 2.81Å; N953-N957 WeakPolarHBondContact O-CB 3.16Å; N953-N957 VanDerWaalsContact O-CG 3.24Å; N953-N957 PolarHBondContact O-N 3.3Å; N953-N957 PolarHBondContact O-ND2 3.07Å
954R78.4Confident74.9Confident163 Ų163106.4 Ų106.462%0.61554%0.543SS*.Hα-helixtrans-61.4-42.8171.7-66.5170.6-163.7-174.74.9111E950 E951 N957 A958E950-R954 VanDerWaalsContact O-CG 3.32Å; E950-R954 WeakPolarHBondContact O-CG 3.36Å; E950-R954 PolarHBondContact O-N 3.46Å; E950-R954 IonicContact OE2-CZ 2.65Å; E950-R954 IonicContact OE2-NE 2.77Å; E950-R954 IonicContact OE2-NH2 2.78Å; E950-R954 PolarHBondContact OE2-NH2 3.46Å; E951-R954 PolarHBondContact O-N 2.72Å; R954-N957 PolarHBondContact O-N 3.48Å; R954-A958 WeakPolarHBondContact O-CB 3.39Å; R954-A958 PolarHBondContact O-N 3.18Å
955L75.2Confident74.9Confident130 Ų130107.8 Ų107.868%0.68155%0.546SS*.Hα-helixtrans-68.2-40.6177.8-148.579000112.4E951 K952 N953 A958 C959E951-L955 WeakPolarHBondContact O-CB 3.26Å; E951-L955 PolarHBondContact O-N 2.71Å; K952-L955 PolarHBondContact O-N 2.92Å; N953-L955 VanDerWaalsContact C-N 3.34Å; L955-A958 PolarHBondContact O-N 2.99Å; L955-C959 WeakPolarHBondContact O-CB 3.41Å; L955-C959 PolarHBondContact O-N 3.33Å
956I76.8Confident74.8Confident76 Ų76106.3 Ų106.339%0.3954%0.54SS..Hα-helixtrans-61.4-45.9172.9-72.6168.2000110.3K952 N953 A958 C959 M960K952-I956 HydrophobicContact CG-CD1 3.9Å; K952-I956 WeakPolarHBondContact O-CB 3.15Å; K952-I956 VanDerWaalsContact O-CG1 3.29Å; K952-I956 WeakPolarHBondContact O-CG1 3.26Å; K952-I956 PolarHBondContact O-N 3.31Å; N953-I956 PolarHBondContact O-N 2.81Å; I956-A958 PolarHBondContact O-N 2.79Å; I956-C959 CarbonylContact O-C 3.48Å; I956-C959 PolarHBondContact O-N 2.71Å; I956-M960 HydrophobicContact CG2-CG 4.17Å; I956-M960 WeakPolarHBondContact O-CB 3.34Å; I956-M960 VanDerWaalsContact O-CG 3.24Å; I956-M960 WeakPolarHBondContact O-CG 3.48Å; I956-M960 PolarHBondContact O-N 2.91Å
957N74.8Confident74.7Confident99 Ų99104.3 Ų104.353%0.52954%0.536SS..Hα-helixtrans-64.4-40.4178.4-73.8-16.5000112.2N953 R954 C959 M960 L961N953-N957 WeakPolarHBondContact O-CB 3.16Å; N953-N957 VanDerWaalsContact O-CG 3.24Å; N953-N957 PolarHBondContact O-N 3.3Å; N953-N957 PolarHBondContact O-ND2 3.07Å; R954-N957 PolarHBondContact O-N 3.48Å; N957-C959 VanDerWaalsContact C-N 3.34Å; N957-C959 PolarHBondContact O-N 2.9Å; N957-M960 PolarHBondContact O-N 3.18Å; N957-L961 WeakPolarHBondContact O-CB 3.48Å; N957-L961 WeakPolarHBondContact O-CG 3.36Å; N957-L961 PolarHBondContact O-N 2.8Å
958A73Confident74.9Confident58 Ų58103.3 Ų103.348%0.47953%0.532SS..Hα-helixtrans-62.8-39.6172.800000112.3R954 L955 I956 K962R954-A958 WeakPolarHBondContact O-CB 3.39Å; R954-A958 PolarHBondContact O-N 3.18Å; L955-A958 PolarHBondContact O-N 2.99Å; I956-A958 PolarHBondContact O-N 2.79Å; A958-K962 WeakPolarHBondContact O-CB 3.26Å; A958-K962 PolarHBondContact O-N 2.74Å
959C72.2Confident74.9Confident88 Ų88100.7 Ų100.760%0.59552%0.523SS*.Hα-helixtrans-69.5-38.9176.2-161.50000112.2L955 I956 N957 K962 K963L955-C959 WeakPolarHBondContact O-CB 3.41Å; L955-C959 PolarHBondContact O-N 3.33Å; I956-C959 CarbonylContact O-C 3.48Å; I956-C959 PolarHBondContact O-N 2.71Å; N957-C959 VanDerWaalsContact C-N 3.34Å; N957-C959 PolarHBondContact O-N 2.9Å; C959-K962 PolarHBondContact O-N 3.48Å; C959-K963 WeakPolarHBondContact O-CB 3.49Å; C959-K963 PolarHBondContact O-N 2.92Å
960M75.5Confident75.1Confident105 Ų105104.2 Ų104.252%0.51753%0.532SS..Hα-helixtrans-63.3-46.7173.5-75.5-78.4-77.500111.5I956 N957 K962 K963 I964I956-M960 HydrophobicContact CG2-CG 4.17Å; I956-M960 WeakPolarHBondContact O-CB 3.34Å; I956-M960 VanDerWaalsContact O-CG 3.24Å; I956-M960 WeakPolarHBondContact O-CG 3.48Å; I956-M960 PolarHBondContact O-N 2.91Å; N957-M960 PolarHBondContact O-N 3.18Å; M960-K962 VanDerWaalsContact C-N 3.33Å; M960-K962 PolarHBondContact O-N 2.93Å; M960-K963 CarbonylContact O-C 3.39Å; M960-K963 WeakPolarHBondContact O-CB 3.31Å; M960-K963 PolarHBondContact O-N 3.39Å; M960-K963 VanDerWaalsContact O-N 3.12Å; M960-I964 WeakPolarHBondContact O-CG1 3.29Å; M960-I964 PolarHBondContact O-N 3.3Å
961L74.1Confident75.1Confident118 Ų118104.8 Ų104.862%0.61853%0.534SS*.Hα-helixtrans-60.8-41.5174.3-74.4168.6000111.7N957 K963 I964 S965N957-L961 WeakPolarHBondContact O-CB 3.48Å; N957-L961 WeakPolarHBondContact O-CG 3.36Å; N957-L961 PolarHBondContact O-N 2.8Å; L961-K963 VanDerWaalsContact C-N 3.31Å; L961-K963 PolarHBondContact O-N 3.43Å; L961-I964 PolarHBondContact O-N 3.24Å; L961-S965 WeakPolarHBondContact O-CB 3.46Å; L961-S965 PolarHBondContact O-N 3.32Å
962K78.7Confident75.2Confident152 Ų152101.9 Ų101.966%0.66153%0.528SS*.Hα-helixtrans-65.8-33.4174.3-166170.5-175.7176.80112.4A958 C959 M960 L966A958-K962 WeakPolarHBondContact O-CB 3.26Å; A958-K962 PolarHBondContact O-N 2.74Å; C959-K962 PolarHBondContact O-N 3.48Å; M960-K962 VanDerWaalsContact C-N 3.33Å; M960-K962 PolarHBondContact O-N 2.93Å; K962-L966 WeakPolarHBondContact O-CB 3.39Å; K962-L966 WeakPolarHBondContact O-CG 3.22Å; K962-L966 PolarHBondContact O-N 3.19Å
963K74.1Confident74.9Confident152 Ų15299.2 Ų99.266%0.66152%0.523SS*.Hα-helixtrans-73.2-36.2174.8-168178.5-178.5-176.90112.6C959 M960 L961 L966 S967C959-K963 WeakPolarHBondContact O-CB 3.49Å; C959-K963 PolarHBondContact O-N 2.92Å; M960-K963 CarbonylContact O-C 3.39Å; M960-K963 WeakPolarHBondContact O-CB 3.31Å; M960-K963 PolarHBondContact O-N 3.39Å; M960-K963 VanDerWaalsContact O-N 3.12Å; L961-K963 VanDerWaalsContact C-N 3.31Å; L961-K963 PolarHBondContact O-N 3.43Å; K963-L966 PolarHBondContact O-N 3.37Å; K963-S967 WeakPolarHBondContact O-CB 3.47Å; K963-S967 PolarHBondContact O-N 2.78Å
964I74.4Confident74.7Confident83 Ų8399 Ų9943%0.42652%0.522SS..Hα-helixtrans-63.7-51.6171.2-70.8160.3000109.2M960 L961 L966 S967 E968M960-I964 WeakPolarHBondContact O-CG1 3.29Å; M960-I964 PolarHBondContact O-N 3.3Å; L961-I964 PolarHBondContact O-N 3.24Å; I964-L966 VanDerWaalsContact C-N 3.3Å; I964-L966 PolarHBondContact O-N 3.46Å; I964-S967 CarbonylContact O-C 3.59Å; I964-S967 WeakPolarHBondContact O-CA 3.37Å; I964-S967 WeakPolarHBondContact O-CB 3.2Å; I964-S967 PolarHBondContact O-N 2.82Å; I964-E968 HydrophobicContact CG2-CG 4.29Å; I964-E968 WeakPolarHBondContact O-CG 3.49Å; I964-E968 PolarHBondContact O-N 3.39Å
965S71.7Confident74.6Confident69 Ų6995.5 Ų95.548%0.48351%0.514SS..Hα-helixtrans-59.9-36.4176.6-179.10000113.1L961 S969L961-S965 WeakPolarHBondContact O-CB 3.46Å; L961-S965 PolarHBondContact O-N 3.32Å; S965-S969 VanDerWaalsContact O-CB 3.25Å; S965-S969 WeakPolarHBondContact O-CB 3.26Å; S965-S969 PolarHBondContact O-N 3.36Å
966L73.5Confident74.6Confident104 Ų10494.5 Ų94.555%0.54551%0.509SS..Hα-helixtrans-65.9-36.7170.1-82.8165000112.7K962 K963 I964 E970K962-L966 WeakPolarHBondContact O-CB 3.39Å; K962-L966 WeakPolarHBondContact O-CG 3.22Å; K962-L966 PolarHBondContact O-N 3.19Å; K963-L966 PolarHBondContact O-N 3.37Å; I964-L966 VanDerWaalsContact C-N 3.3Å; I964-L966 PolarHBondContact O-N 3.46Å; L966-E970 VanDerWaalsContact O-CB 3.27Å; L966-E970 WeakPolarHBondContact O-CB 3.34Å; L966-E970 PolarHBondContact O-N 3.12Å
967S72.2Confident74.5Confident48 Ų4894.5 Ų94.534%0.33651%0.512SS..Hα-helixtrans-74.3-33.9176-168.10000112.7K963 I964 E970 Q971K963-S967 WeakPolarHBondContact O-CB 3.47Å; K963-S967 PolarHBondContact O-N 2.78Å; I964-S967 CarbonylContact O-C 3.59Å; I964-S967 WeakPolarHBondContact O-CA 3.37Å; I964-S967 WeakPolarHBondContact O-CB 3.2Å; I964-S967 PolarHBondContact O-N 2.82Å; S967-E970 PolarHBondContact O-N 3.34Å; S967-Q971 VanDerWaalsContact O-CB 3.29Å; S967-Q971 WeakPolarHBondContact O-CB 3.45Å; S967-Q971 WeakPolarHBondContact O-CG 3.18Å; S967-Q971 PolarHBondContact O-N 3.48Å; S967-Q971 PolarHBondContact OG-NE2 2.94Å
968E76.3Confident74.6Confident109 Ų10997.2 Ų97.251%0.50952%0.515SS..Hα-helixtrans-67.3-40.1171.4-69.9168.9161.400110.8I964 Q971 S972I964-E968 HydrophobicContact CG2-CG 4.29Å; I964-E968 WeakPolarHBondContact O-CG 3.49Å; I964-E968 PolarHBondContact O-N 3.39Å; E968-Q971 PolarHBondContact O-N 3.29Å; E968-S972 VanDerWaalsContact O-CB 3.3Å; E968-S972 WeakPolarHBondContact O-CB 3.22Å; E968-S972 PolarHBondContact O-N 3.06Å; E968-S972 PolarHBondContact O-OG 2.8Å
969S72.3Confident74.6Confident65 Ų6599.3 Ų99.346%0.45552%0.515SS..Hα-helixtrans-62.3-48.1170-179.90000111.3S965 Q971 S972 V973S965-S969 VanDerWaalsContact O-CB 3.25Å; S965-S969 WeakPolarHBondContact O-CB 3.26Å; S965-S969 PolarHBondContact O-N 3.36Å; S969-Q971 VanDerWaalsContact C-N 3.35Å; S969-Q971 PolarHBondContact O-N 2.87Å; S969-S972 CarbonylContact O-C 3.56Å; S969-S972 WeakPolarHBondContact O-CB 3.41Å; S969-S972 PolarHBondContact O-N 3.41Å; S969-S972 VanDerWaalsContact O-N 3.12Å; S969-V973 WeakPolarHBondContact O-CG2 3.43Å; S969-V973 PolarHBondContact O-N 3.12Å
970E76.5Confident74.9Confident121 Ų121100 Ų10057%0.56551%0.509SS*.Hα-helixtrans-62.6-38.9176.5-178.4174.6-156.100112.1L966 S967 N974L966-E970 VanDerWaalsContact O-CB 3.27Å; L966-E970 WeakPolarHBondContact O-CB 3.34Å; L966-E970 PolarHBondContact O-N 3.12Å; S967-E970 PolarHBondContact O-N 3.34Å; E970-N974 VanDerWaalsContact O-CB 3.26Å; E970-N974 WeakPolarHBondContact O-CB 3.46Å; E970-N974 PolarHBondContact O-N 3.06Å; E970-N974 PolarHBondContact O-ND2 3.14Å
971Q74.2Confident75Confident122 Ų122102.4 Ų102.457%0.5752%0.517SS*.Hα-helixtrans-66.1-39.5172.4-76.2174.856.900111.6S967 E968 S969 N974 M975S967-Q971 VanDerWaalsContact O-CB 3.29Å; S967-Q971 WeakPolarHBondContact O-CB 3.45Å; S967-Q971 WeakPolarHBondContact O-CG 3.18Å; S967-Q971 PolarHBondContact O-N 3.48Å; S967-Q971 PolarHBondContact OG-NE2 2.94Å; E968-Q971 PolarHBondContact O-N 3.29Å; S969-Q971 VanDerWaalsContact C-N 3.35Å; S969-Q971 PolarHBondContact O-N 2.87Å; Q971-N974 PolarHBondContact O-N 2.96Å; Q971-M975 WeakPolarHBondContact O-CB 3.4Å; Q971-M975 WeakPolarHBondContact O-CG 3.24Å; Q971-M975 PolarHBondContact O-N 3.09Å
972S76.2Confident75Confident68 Ų68100.9 Ų100.948%0.47651%0.506SS..Hα-helixtrans-65.8-43.8175.7-59.30000111.6E968 S969 M975 L976E968-S972 VanDerWaalsContact O-CB 3.3Å; E968-S972 WeakPolarHBondContact O-CB 3.22Å; E968-S972 PolarHBondContact O-N 3.06Å; E968-S972 PolarHBondContact O-OG 2.8Å; S969-S972 CarbonylContact O-C 3.56Å; S969-S972 WeakPolarHBondContact O-CB 3.41Å; S969-S972 PolarHBondContact O-N 3.41Å; S969-S972 VanDerWaalsContact O-N 3.12Å; S972-M975 PolarHBondContact O-N 2.96Å; S972-L976 WeakPolarHBondContact O-CB 3.4Å; S972-L976 WeakPolarHBondContact O-CG 3.2Å; S972-L976 PolarHBondContact O-N 3.44Å
973V75.7Confident74.9Confident79 Ų7999 Ų9948%0.47950%0.503SS..Hα-helixtrans-65.5-39.4174171.40000111.2S969 M975 L976 T977S969-V973 WeakPolarHBondContact O-CG2 3.43Å; S969-V973 PolarHBondContact O-N 3.12Å; V973-M975 VanDerWaalsContact C-N 3.35Å; V973-L976 PolarHBondContact O-N 2.85Å; V973-T977 VanDerWaalsContact O-CB 3.25Å; V973-T977 WeakPolarHBondContact O-CB 3.4Å; V973-T977 PolarHBondContact O-N 3.36Å; V973-T977 PolarHBondContact O-OG1 3.3Å
974N73.4Confident75.1Confident71 Ų7197.8 Ų97.838%0.3850%0.498SS..Hα-helixtrans-64.3-37.7172.6-88-73.9000112E970 Q971 T977 R978E970-N974 VanDerWaalsContact O-CB 3.26Å; E970-N974 WeakPolarHBondContact O-CB 3.46Å; E970-N974 PolarHBondContact O-N 3.06Å; E970-N974 PolarHBondContact O-ND2 3.14Å; Q971-N974 PolarHBondContact O-N 2.96Å; N974-T977 PolarHBondContact O-N 3.45Å; N974-R978 WeakPolarHBondContact O-CB 3.27Å; N974-R978 WeakPolarHBondContact O-CG 3.48Å; N974-R978 PolarHBondContact O-N 2.74Å
975M75Confident75.1Confident89 Ų8998.7 Ų98.744%0.43850%0.5SS..Hα-helixtrans-67.3-47.3172.8-76.5-59.8-63.700111.5Q971 S972 V973 T977 R978 E979Q971-M975 WeakPolarHBondContact O-CB 3.4Å; Q971-M975 WeakPolarHBondContact O-CG 3.24Å; Q971-M975 PolarHBondContact O-N 3.09Å; S972-M975 PolarHBondContact O-N 2.96Å; V973-M975 VanDerWaalsContact C-N 3.35Å; M975-T977 PolarHBondContact O-N 3.35Å; M975-R978 CarbonylContact O-C 3.48Å; M975-R978 WeakPolarHBondContact O-CB 3.25Å; M975-R978 PolarHBondContact O-N 3.19Å; M975-R978 VanDerWaalsContact O-N 3.11Å; M975-R978 PolarHBondContact SD-NH1 3.45Å; M975-R978 VanDerWaalsContact SD-NH1 3.35Å; M975-E979 WeakPolarHBondContact O-CG 3.44Å; M975-E979 PolarHBondContact O-N 3.44Å
976L75.4Confident75.2Confident109 Ų109100.4 Ų100.457%0.57150%0.499SS*.Hα-helixtrans-61.9-30.2174.3-71.5170000112.5S972 V973 Q980S972-L976 WeakPolarHBondContact O-CB 3.4Å; S972-L976 WeakPolarHBondContact O-CG 3.2Å; S972-L976 PolarHBondContact O-N 3.44Å; V973-L976 PolarHBondContact O-N 2.85Å; L976-Q980 VanDerWaalsContact O-CB 3.25Å; L976-Q980 WeakPolarHBondContact O-CB 3.29Å; L976-Q980 PolarHBondContact O-N 2.92Å
977T76Confident75.3Confident75 Ų75100.3 Ų100.346%0.4650%0.498SS..Hα-helixtrans-76.8-35.8174.3-61.50000111.7V973 N974 M975 K981V973-T977 VanDerWaalsContact O-CB 3.25Å; V973-T977 WeakPolarHBondContact O-CB 3.4Å; V973-T977 PolarHBondContact O-N 3.36Å; V973-T977 PolarHBondContact O-OG1 3.3Å; N974-T977 PolarHBondContact O-N 3.45Å; M975-T977 PolarHBondContact O-N 3.35Å; T977-K981 VanDerWaalsContact O-CB 3.23Å; T977-K981 WeakPolarHBondContact O-CB 3.23Å; T977-K981 PolarHBondContact O-N 3.47Å
978R75.8Confident75.4Confident156 Ų156100.8 Ų100.859%0.58951%0.505SS*.Hα-helixtrans-64.9-41.6169.1-72.1164.5-170.71593.4111.3N974 M975 K981 H982N974-R978 WeakPolarHBondContact O-CB 3.27Å; N974-R978 WeakPolarHBondContact O-CG 3.48Å; N974-R978 PolarHBondContact O-N 2.74Å; M975-R978 CarbonylContact O-C 3.48Å; M975-R978 WeakPolarHBondContact O-CB 3.25Å; M975-R978 PolarHBondContact O-N 3.19Å; M975-R978 VanDerWaalsContact O-N 3.11Å; M975-R978 PolarHBondContact SD-NH1 3.45Å; M975-R978 VanDerWaalsContact SD-NH1 3.35Å; R978-K981 PolarHBondContact O-N 2.8Å; R978-H982 VanDerWaalsContact O-CB 3.25Å; R978-H982 WeakPolarHBondContact O-CB 3.3Å; R978-H982 PolarHBondContact O-N 3.24Å
979E73.6Confident75.4Confident102 Ų10299.3 Ų99.348%0.47750%0.498SS..Hα-helixtrans-66.5-44.7174.2-73.2-177.4172.300111.4M975 K981 H982 L983M975-E979 WeakPolarHBondContact O-CG 3.44Å; M975-E979 PolarHBondContact O-N 3.44Å; E979-K981 VanDerWaalsContact C-N 3.31Å; E979-K981 PolarHBondContact O-N 2.93Å; E979-H982 CarbonylContact O-C 3.56Å; E979-H982 PolarHBondContact O-N 3.44Å; E979-L983 VanDerWaalsContact O-CB 3.26Å; E979-L983 WeakPolarHBondContact O-CB 3.41Å; E979-L983 VanDerWaalsContact O-CG 3.25Å; E979-L983 WeakPolarHBondContact O-CG 3.26Å; E979-L983 PolarHBondContact O-N 3.49Å
980Q79.2Confident75.5Confident104 Ų10499 Ų9949%0.48650%0.496SS..Hα-helixtrans-60.8-40.9173.8-166.4-158.176.700111L976 L983 K984L976-Q980 VanDerWaalsContact O-CB 3.25Å; L976-Q980 WeakPolarHBondContact O-CB 3.29Å; L976-Q980 PolarHBondContact O-N 2.92Å; Q980-L983 PolarHBondContact O-N 3.12Å; Q980-K984 HydrophobicContact CG-CD 4.42Å; Q980-K984 VanDerWaalsContact O-CB 3.32Å; Q980-K984 WeakPolarHBondContact O-CB 3.4Å; Q980-K984 WeakPolarHBondContact O-CG 3.28Å; Q980-K984 PolarHBondContact O-N 3.07Å
981K77Confident75.6Confident154 Ų15496.9 Ų96.967%0.6749%0.489SS*.Hα-helixtrans-67.3-39.7175.6-172.5171.3-178.6174.70111.8T977 R978 E979 Q985T977-K981 VanDerWaalsContact O-CB 3.23Å; T977-K981 WeakPolarHBondContact O-CB 3.23Å; T977-K981 PolarHBondContact O-N 3.47Å; R978-K981 PolarHBondContact O-N 2.8Å; E979-K981 VanDerWaalsContact C-N 3.31Å; E979-K981 PolarHBondContact O-N 2.93Å; K981-Q985 VanDerWaalsContact O-CB 3.32Å; K981-Q985 WeakPolarHBondContact O-CB 3.45Å; K981-Q985 PolarHBondContact O-N 3.07Å
982H74.9Confident75.9Confident86 Ų8697.4 Ų97.440%0.39849%0.489SS..Hα-helixtrans-71.5-32.2176.3-175.543.1000112.5R978 E979 K986R978-H982 VanDerWaalsContact O-CB 3.25Å; R978-H982 WeakPolarHBondContact O-CB 3.3Å; R978-H982 PolarHBondContact O-N 3.24Å; E979-H982 CarbonylContact O-C 3.56Å; E979-H982 PolarHBondContact O-N 3.44Å; H982-K986 WeakPolarHBondContact NE2-CE 3.4Å; H982-K986 PolarHBondContact NE2-NZ 2.91Å; H982-K986 VanDerWaalsContact O-CB 3.28Å; H982-K986 WeakPolarHBondContact O-CB 3.24Å; H982-K986 WeakPolarHBondContact O-CG 3.42Å; H982-K986 PolarHBondContact O-N 2.93Å
983L76.1Confident75.9Confident112 Ų11299.4 Ų99.459%0.58649%0.489SS*.Hα-helixtrans-73.1-41.5172.4-74.4170.3000111.3E979 Q980 Q985 K986 L987E979-L983 VanDerWaalsContact O-CB 3.26Å; E979-L983 WeakPolarHBondContact O-CB 3.41Å; E979-L983 VanDerWaalsContact O-CG 3.25Å; E979-L983 WeakPolarHBondContact O-CG 3.26Å; E979-L983 PolarHBondContact O-N 3.49Å; Q980-L983 PolarHBondContact O-N 3.12Å; L983-Q985 VanDerWaalsContact C-N 3.32Å; L983-K986 CarbonylContact O-C 3.57Å; L983-K986 PolarHBondContact O-N 2.94Å; L983-L987 VanDerWaalsContact O-CB 3.23Å; L983-L987 WeakPolarHBondContact O-CB 3.49Å; L983-L987 PolarHBondContact O-N 2.82Å
984K77.9Confident75.9Confident127 Ų127100.2 Ų100.255%0.55249%0.491SS*.Hα-helixtrans-61.8-39.9169.9-78.7175.9173.9171.20111.6Q980 L987 A988Q980-K984 HydrophobicContact CG-CD 4.42Å; Q980-K984 VanDerWaalsContact O-CB 3.32Å; Q980-K984 WeakPolarHBondContact O-CB 3.4Å; Q980-K984 WeakPolarHBondContact O-CG 3.28Å; Q980-K984 PolarHBondContact O-N 3.07Å; K984-L987 PolarHBondContact O-N 2.84Å; K984-A988 WeakPolarHBondContact O-CB 3.34Å; K984-A988 PolarHBondContact O-N 2.94Å
985Q75Confident76.1Confident102 Ų102102.5 Ų102.548%0.47750%0.499SS..Hα-helixtrans-66.8-44.4173.3-173.3-175.3-32.300111.5K981 L983 L987 A988 E989K981-Q985 VanDerWaalsContact O-CB 3.32Å; K981-Q985 WeakPolarHBondContact O-CB 3.45Å; K981-Q985 PolarHBondContact O-N 3.07Å; L983-Q985 VanDerWaalsContact C-N 3.32Å; Q985-L987 VanDerWaalsContact C-N 3.3Å; Q985-L987 PolarHBondContact O-N 3.13Å; Q985-A988 PolarHBondContact O-N 3.01Å; Q985-E989 HydrophobicContact CG-CG 4.4Å; Q985-E989 WeakPolarHBondContact CG-OE1 3.29Å; Q985-E989 PolarHBondContact NE2-OE1 3.43Å; Q985-E989 VanDerWaalsContact O-CB 3.27Å; Q985-E989 WeakPolarHBondContact O-CB 3.38Å; Q985-E989 VanDerWaalsContact O-CG 3.29Å; Q985-E989 WeakPolarHBondContact O-CG 3.23Å; Q985-E989 PolarHBondContact O-N 3.47Å
986K74.1Confident76Confident105 Ų105101.5 Ų101.546%0.45750%0.498SS..Hα-helixtrans-64.4-32.7175.1-87.3171.6161.3161.50113H982 L983 S990H982-K986 WeakPolarHBondContact NE2-CE 3.4Å; H982-K986 PolarHBondContact NE2-NZ 2.91Å; H982-K986 VanDerWaalsContact O-CB 3.28Å; H982-K986 WeakPolarHBondContact O-CB 3.24Å; H982-K986 WeakPolarHBondContact O-CG 3.42Å; H982-K986 PolarHBondContact O-N 2.93Å; L983-K986 CarbonylContact O-C 3.57Å; L983-K986 PolarHBondContact O-N 2.94Å; K986-S990 WeakPolarHBondContact O-CB 3.48Å; K986-S990 PolarHBondContact O-N 3.27Å
987L75.4Confident76Confident103 Ų103100.4 Ų100.454%0.53949%0.492SS..Hα-helixtrans-67.7-53.5173.2-172.764.5000109.3L983 K984 Q985 E989 S990 D991L983-L987 VanDerWaalsContact O-CB 3.23Å; L983-L987 WeakPolarHBondContact O-CB 3.49Å; L983-L987 PolarHBondContact O-N 2.82Å; K984-L987 PolarHBondContact O-N 2.84Å; Q985-L987 VanDerWaalsContact C-N 3.3Å; Q985-L987 PolarHBondContact O-N 3.13Å; L987-E989 VanDerWaalsContact C-N 3.3Å; L987-E989 PolarHBondContact O-N 3.43Å; L987-S990 CarbonylContact O-C 3.59Å; L987-S990 WeakPolarHBondContact O-CA 3.3Å; L987-S990 VanDerWaalsContact O-CB 3.32Å; L987-S990 WeakPolarHBondContact O-CB 3.22Å; L987-S990 PolarHBondContact O-N 3.35Å; L987-D991 WeakPolarHBondContact O-CB 3.36Å; L987-D991 PolarHBondContact O-N 3.22Å
988A74.5Confident76.2Confident58 Ų5899.9 Ų99.948%0.47949%0.49SS..Hα-helixtrans-58.7-37.5174.300000113.3K984 Q985 S990 F992K984-A988 WeakPolarHBondContact O-CB 3.34Å; K984-A988 PolarHBondContact O-N 2.94Å; Q985-A988 PolarHBondContact O-N 3.01Å; A988-S990 VanDerWaalsContact C-N 3.27Å; A988-S990 PolarHBondContact O-N 3.5Å; A988-F992 WeakPolarHBondContact O-CB 3.47Å; A988-F992 PolarHBondContact O-N 3.34Å
989E74.6Confident76.3Confident78 Ų7897.5 Ų97.536%0.36449%0.489SS..Hα-helixtrans-71.6-18171.7-77179.6-15100113.4Q985 L987 K993Q985-E989 HydrophobicContact CG-CG 4.4Å; Q985-E989 WeakPolarHBondContact CG-OE1 3.29Å; Q985-E989 PolarHBondContact NE2-OE1 3.43Å; Q985-E989 VanDerWaalsContact O-CB 3.27Å; Q985-E989 WeakPolarHBondContact O-CB 3.38Å; Q985-E989 VanDerWaalsContact O-CG 3.29Å; Q985-E989 WeakPolarHBondContact O-CG 3.23Å; Q985-E989 PolarHBondContact O-N 3.47Å; L987-E989 VanDerWaalsContact C-N 3.3Å; L987-E989 PolarHBondContact O-N 3.43Å; E989-K993 WeakPolarHBondContact O-CB 3.48Å; E989-K993 WeakPolarHBondContact O-CD 3.11Å; E989-K993 VanDerWaalsContact O-CE 3.28Å; E989-K993 WeakPolarHBondContact O-CE 3.46Å; E989-K993 WeakPolarHBondContact O-CG 3.39Å; E989-K993 PolarHBondContact O-NZ 2.99Å; E989-K993 IonicContact OE2-NZ 2.74Å
990S74.6Confident76.7Confident57 Ų57100.8 Ų100.840%0.39950%0.497SS..Hα-helixtrans-89.5-40.8174.9-1730000110.3K986 L987 A988 K993 L994K986-S990 WeakPolarHBondContact O-CB 3.48Å; K986-S990 PolarHBondContact O-N 3.27Å; L987-S990 CarbonylContact O-C 3.59Å; L987-S990 WeakPolarHBondContact O-CA 3.3Å; L987-S990 VanDerWaalsContact O-CB 3.32Å; L987-S990 WeakPolarHBondContact O-CB 3.22Å; L987-S990 PolarHBondContact O-N 3.35Å; A988-S990 VanDerWaalsContact C-N 3.27Å; A988-S990 PolarHBondContact O-N 3.5Å; S990-K993 CarbonylContact O-C 3.56Å; S990-K993 WeakPolarHBondContact O-CB 3.46Å; S990-K993 PolarHBondContact O-N 3.26Å; S990-L994 WeakPolarHBondContact O-CB 3.21Å; S990-L994 PolarHBondContact O-N 2.77Å
991D80Confident76.6Confident78 Ų7899.5 Ų99.542%0.41749%0.494SS..Hα-helixtrans-65.5-46175.1-59.8-24.1000109.7L987 K993 L994 E995L987-D991 WeakPolarHBondContact O-CB 3.36Å; L987-D991 PolarHBondContact O-N 3.22Å; D991-K993 VanDerWaalsContact C-N 3.28Å; D991-K993 PolarHBondContact O-N 3.14Å; D991-L994 CarbonylContact O-C 3.56Å; D991-L994 WeakPolarHBondContact O-CA 3.43Å; D991-L994 WeakPolarHBondContact O-CB 3.34Å; D991-L994 PolarHBondContact O-N 3.15Å; D991-L994 VanDerWaalsContact O-N 3.07Å; D991-E995 WeakPolarHBondContact O-CB 3.02Å; D991-E995 PolarHBondContact O-N 2.96Å
992F79.1Confident76.7Confident132 Ų13298.6 Ų98.658%0.57949%0.492SS*.Hα-helixtrans-62.4-33171.7-178.1-101.4000112.7A988 T996A988-F992 WeakPolarHBondContact O-CB 3.47Å; A988-F992 PolarHBondContact O-N 3.34Å; F992-T996 VanDerWaalsContact O-CB 3.28Å; F992-T996 WeakPolarHBondContact O-CB 3.39Å; F992-T996 PolarHBondContact O-N 3.48Å; F992-T996 PolarHBondContact O-OG1 2.71Å
993K77.8Confident76.9Confident111 Ų111101.7 Ų101.748%0.48350%0.504SS..Hα-helixtrans-71.2-37.7171.5-77.6170.1-160.2116.50111.5E989 S990 D991 T996 I997E989-K993 WeakPolarHBondContact O-CB 3.48Å; E989-K993 WeakPolarHBondContact O-CD 3.11Å; E989-K993 VanDerWaalsContact O-CE 3.28Å; E989-K993 WeakPolarHBondContact O-CE 3.46Å; E989-K993 WeakPolarHBondContact O-CG 3.39Å; E989-K993 PolarHBondContact O-NZ 2.99Å; E989-K993 IonicContact OE2-NZ 2.74Å; S990-K993 CarbonylContact O-C 3.56Å; S990-K993 WeakPolarHBondContact O-CB 3.46Å; S990-K993 PolarHBondContact O-N 3.26Å; D991-K993 VanDerWaalsContact C-N 3.28Å; D991-K993 PolarHBondContact O-N 3.14Å; K993-T996 PolarHBondContact O-N 2.63Å; K993-I997 VanDerWaalsContact O-CB 3.29Å; K993-I997 WeakPolarHBondContact O-CB 3.29Å; K993-I997 WeakPolarHBondContact O-CD1 3.44Å; K993-I997 WeakPolarHBondContact O-CG1 3.34Å; K993-I997 PolarHBondContact O-N 2.91Å
994L74.2Confident77Confident96 Ų96100.3 Ų100.350%0.50350%0.497SS..Hα-helixtrans-64.1-46.1174.6-106.6161.9000110.7S990 D991 I997 C998S990-L994 WeakPolarHBondContact O-CB 3.21Å; S990-L994 PolarHBondContact O-N 2.77Å; D991-L994 CarbonylContact O-C 3.56Å; D991-L994 WeakPolarHBondContact O-CA 3.43Å; D991-L994 WeakPolarHBondContact O-CB 3.34Å; D991-L994 PolarHBondContact O-N 3.15Å; D991-L994 VanDerWaalsContact O-N 3.07Å; L994-I997 CarbonylContact O-C 3.57Å; L994-I997 WeakPolarHBondContact O-CA 3.46Å; L994-I997 WeakPolarHBondContact O-CB 3.42Å; L994-I997 PolarHBondContact O-N 3.3Å; L994-I997 VanDerWaalsContact O-N 3.12Å; L994-C998 WeakPolarHBondContact O-CB 3.08Å; L994-C998 PolarHBondContact O-N 2.66Å; L994-C998 PolarHBondContact O-SG 3.26Å
995E77.7Confident77.2Confident119 Ų11999.3 Ų99.356%0.55650%0.497SS*.Hα-helixtrans-60.2-48.3172.9-169.4170.3-137.600110.8D991 I997 C998 D999D991-E995 WeakPolarHBondContact O-CB 3.02Å; D991-E995 PolarHBondContact O-N 2.96Å; E995-I997 PolarHBondContact O-N 2.91Å; E995-C998 CarbonylContact O-C 3.55Å; E995-C998 WeakPolarHBondContact O-CA 3.24Å; E995-C998 WeakPolarHBondContact O-CB 3.14Å; E995-C998 PolarHBondContact O-N 2.88Å; E995-D999 WeakPolarHBondContact O-CB 3.46Å; E995-D999 PolarHBondContact O-N 3.26Å
996T74Confident77.4Confident67 Ų6797.4 Ų97.441%0.41150%0.495SS..Hα-helixtrans-60.5-31.3173-56.10000112.7F992 K993 R1000F992-T996 VanDerWaalsContact O-CB 3.28Å; F992-T996 WeakPolarHBondContact O-CB 3.39Å; F992-T996 PolarHBondContact O-N 3.48Å; F992-T996 PolarHBondContact O-OG1 2.71Å; K993-T996 PolarHBondContact O-N 2.63Å; T996-R1000 WeakPolarHBondContact O-CB 3.38Å; T996-R1000 PolarHBondContact O-N 2.73Å
997I75.6Confident77.7Confident87 Ų8795.8 Ų95.845%0.44649%0.492SS..Hα-helixtrans-77.2-36.2174.8-74.7163.8000110.9K993 L994 E995 R1000 N1001K993-I997 VanDerWaalsContact O-CB 3.29Å; K993-I997 WeakPolarHBondContact O-CB 3.29Å; K993-I997 WeakPolarHBondContact O-CD1 3.44Å; K993-I997 WeakPolarHBondContact O-CG1 3.34Å; K993-I997 PolarHBondContact O-N 2.91Å; L994-I997 CarbonylContact O-C 3.57Å; L994-I997 WeakPolarHBondContact O-CA 3.46Å; L994-I997 WeakPolarHBondContact O-CB 3.42Å; L994-I997 PolarHBondContact O-N 3.3Å; L994-I997 VanDerWaalsContact O-N 3.12Å; E995-I997 PolarHBondContact O-N 2.91Å; I997-R1000 CarbonylContact O-C 3.53Å; I997-R1000 PolarHBondContact O-N 2.97Å; I997-N1001 VanDerWaalsContact O-CB 3.24Å; I997-N1001 WeakPolarHBondContact O-CB 3.29Å; I997-N1001 PolarHBondContact O-N 2.98Å; I997-N1001 PolarHBondContact O-ND2 2.82Å
998C79.2Confident77.8Confident64 Ų6492.7 Ų92.743%0.43248%0.481SS..Hα-helixtrans-65.9-51.7173-72.60000110.6L994 E995 R1000 N1001 E1002L994-C998 WeakPolarHBondContact O-CB 3.08Å; L994-C998 PolarHBondContact O-N 2.66Å; L994-C998 PolarHBondContact O-SG 3.26Å; E995-C998 CarbonylContact O-C 3.55Å; E995-C998 WeakPolarHBondContact O-CA 3.24Å; E995-C998 WeakPolarHBondContact O-CB 3.14Å; E995-C998 PolarHBondContact O-N 2.88Å; C998-R1000 PolarHBondContact O-N 2.93Å; C998-N1001 CarbonylContact O-C 3.56Å; C998-N1001 WeakPolarHBondContact O-CA 3.47Å; C998-N1001 PolarHBondContact O-N 3.21Å; C998-E1002 PolarHBondContact O-N 3.36Å
999D78.9Confident78.1Confident105 Ų10596.2 Ų96.256%0.56149%0.487SS*.Hα-helixtrans-49.8-46169.7-841.2000111.5E995 K1003E995-D999 WeakPolarHBondContact O-CB 3.46Å; E995-D999 PolarHBondContact O-N 3.26Å; D999-K1003 WeakPolarHBondContact O-CB 3.36Å; D999-K1003 PolarHBondContact O-N 3.48Å
1000R80.2Confident78.5Confident171 Ų17197 Ų9765%0.64550%0.498SS*.Hα-helixtrans-66.6-36.2177.2179.5174.3177.9149.60.2112T996 I997 C998 L1004T996-R1000 WeakPolarHBondContact O-CB 3.38Å; T996-R1000 PolarHBondContact O-N 2.73Å; I997-R1000 CarbonylContact O-C 3.53Å; I997-R1000 PolarHBondContact O-N 2.97Å; C998-R1000 PolarHBondContact O-N 2.93Å; R1000-L1004 HydrophobicContact CG-CD1 4.02Å; R1000-L1004 HydrophobicContact CG-CG 4.46Å; R1000-L1004 VanDerWaalsContact O-CB 3.26Å; R1000-L1004 WeakPolarHBondContact O-CB 3.32Å; R1000-L1004 WeakPolarHBondContact O-CG 3.31Å; R1000-L1004 PolarHBondContact O-N 3.23Å
1001N77.8Confident78.8Confident78 Ų7899.2 Ų99.242%0.41750%0.5SS..Hα-helixtrans-76.1-40.3179.3-73.8-18.3000111.9I997 C998 K1003 L1004 L1005I997-N1001 VanDerWaalsContact O-CB 3.24Å; I997-N1001 WeakPolarHBondContact O-CB 3.29Å; I997-N1001 PolarHBondContact O-N 2.98Å; I997-N1001 PolarHBondContact O-ND2 2.82Å; C998-N1001 CarbonylContact O-C 3.56Å; C998-N1001 WeakPolarHBondContact O-CA 3.47Å; C998-N1001 PolarHBondContact O-N 3.21Å; N1001-K1003 VanDerWaalsContact C-N 3.32Å; N1001-L1004 CarbonylContact O-C 3.57Å; N1001-L1004 PolarHBondContact O-N 2.85Å; N1001-L1005 VanDerWaalsContact O-CB 3.31Å; N1001-L1005 WeakPolarHBondContact O-CB 3.34Å; N1001-L1005 VanDerWaalsContact O-CG 3.3Å; N1001-L1005 WeakPolarHBondContact O-CG 3.49Å; N1001-L1005 PolarHBondContact O-N 2.82Å
1002E79.8Confident79Confident134 Ų13499.8 Ų99.863%0.62650%0.503SS*.Hα-helixtrans-63-40.4169.6-71-162.3171.200111.1C998 L1005 S1006C998-E1002 PolarHBondContact O-N 3.36Å; E1002-L1005 PolarHBondContact O-N 2.83Å; E1002-S1006 VanDerWaalsContact O-CB 3.31Å; E1002-S1006 WeakPolarHBondContact O-CB 3.46Å; E1002-S1006 PolarHBondContact O-N 2.87Å; E1002-S1006 PolarHBondContact O-OG 2.93Å
1003K79.3Confident79Confident151 Ų15196.3 Ų96.366%0.65750%0.499SS*.Hα-helixtrans-66.5-38.5173.1-172167.7-174.4168.70112.1D999 N1001 S1006 D1007D999-K1003 WeakPolarHBondContact O-CB 3.36Å; D999-K1003 PolarHBondContact O-N 3.48Å; N1001-K1003 VanDerWaalsContact C-N 3.32Å; K1003-S1006 PolarHBondContact O-N 3.49Å; K1003-D1007 VanDerWaalsContact O-CB 3.28Å; K1003-D1007 WeakPolarHBondContact O-CB 3.37Å; K1003-D1007 PolarHBondContact O-N 3.44Å
1004L78.5Confident79.4Confident83 Ų8397.5 Ų97.544%0.43550%0.504SS..Hα-helixtrans-70.1-34.6174.3-78.5169.4000112.4R1000 N1001 A1008R1000-L1004 HydrophobicContact CG-CD1 4.02Å; R1000-L1004 HydrophobicContact CG-CG 4.46Å; R1000-L1004 VanDerWaalsContact O-CB 3.26Å; R1000-L1004 WeakPolarHBondContact O-CB 3.32Å; R1000-L1004 WeakPolarHBondContact O-CG 3.31Å; R1000-L1004 PolarHBondContact O-N 3.23Å; N1001-L1004 CarbonylContact O-C 3.57Å; N1001-L1004 PolarHBondContact O-N 2.85Å; L1004-A1008 WeakPolarHBondContact O-CB 3.35Å; L1004-A1008 PolarHBondContact O-N 3.23Å
1005L81.3Confident79.7Confident106 Ų10697.3 Ų97.356%0.55550%0.502SS*.Hα-helixtrans-67.7-41.3171.3-79.5165.3000111.1N1001 E1002 A1008 Q1009N1001-L1005 VanDerWaalsContact O-CB 3.31Å; N1001-L1005 WeakPolarHBondContact O-CB 3.34Å; N1001-L1005 VanDerWaalsContact O-CG 3.3Å; N1001-L1005 WeakPolarHBondContact O-CG 3.49Å; N1001-L1005 PolarHBondContact O-N 2.82Å; E1002-L1005 PolarHBondContact O-N 2.83Å; L1005-A1008 PolarHBondContact O-N 3.4Å; L1005-Q1009 WeakPolarHBondContact O-CB 3.39Å; L1005-Q1009 VanDerWaalsContact O-CG 3.28Å; L1005-Q1009 WeakPolarHBondContact O-CG 3.41Å; L1005-Q1009 PolarHBondContact O-N 3.22Å
1006S78.7Confident80Confident63 Ų6397.5 Ų97.544%0.44151%0.506SS..Hα-helixtrans-63.8-45.4172.7-59.80000110.9E1002 K1003 A1008 Q1009 V1010E1002-S1006 VanDerWaalsContact O-CB 3.31Å; E1002-S1006 WeakPolarHBondContact O-CB 3.46Å; E1002-S1006 PolarHBondContact O-N 2.87Å; E1002-S1006 PolarHBondContact O-OG 2.93Å; K1003-S1006 PolarHBondContact O-N 3.49Å; S1006-A1008 VanDerWaalsContact C-N 3.28Å; S1006-A1008 PolarHBondContact O-N 3.33Å; S1006-Q1009 PolarHBondContact O-N 2.94Å; S1006-V1010 WeakPolarHBondContact O-CB 3.35Å; S1006-V1010 VanDerWaalsContact O-CG2 3.25Å; S1006-V1010 WeakPolarHBondContact O-CG2 3.47Å; S1006-V1010 PolarHBondContact O-N 3.04Å
1007D79.8Confident80.5Confident71 Ų7196.9 Ų96.938%0.3851%0.505SS..Hα-helixtrans-61-36.6173.1-116.236.5000111.9K1003 K1011K1003-D1007 VanDerWaalsContact O-CB 3.28Å; K1003-D1007 WeakPolarHBondContact O-CB 3.37Å; K1003-D1007 PolarHBondContact O-N 3.44Å; D1007-K1011 VanDerWaalsContact O-CB 3.29Å; D1007-K1011 WeakPolarHBondContact O-CB 3.42Å; D1007-K1011 WeakPolarHBondContact O-CD 3.11Å; D1007-K1011 WeakPolarHBondContact O-CG 3.38Å; D1007-K1011 PolarHBondContact O-N 2.95Å; D1007-K1011 IonicContact OD2-NZ 3.14Å; D1007-K1011 PolarHBondContact OD2-NZ 2.77Å
1008A78.7Confident80.9Confident38 Ų3897.1 Ų97.131%0.31451%0.506SS..Hα-helixtrans-70.5-48.1176.300000110.9L1004 L1005 S1006 V1010 K1011 D1012L1004-A1008 WeakPolarHBondContact O-CB 3.35Å; L1004-A1008 PolarHBondContact O-N 3.23Å; L1005-A1008 PolarHBondContact O-N 3.4Å; S1006-A1008 VanDerWaalsContact C-N 3.28Å; S1006-A1008 PolarHBondContact O-N 3.33Å; A1008-V1010 VanDerWaalsContact C-N 3.3Å; A1008-V1010 PolarHBondContact O-N 2.97Å; A1008-K1011 CarbonylContact O-C 3.55Å; A1008-K1011 WeakPolarHBondContact O-CA 3.26Å; A1008-K1011 WeakPolarHBondContact O-CB 3.36Å; A1008-K1011 PolarHBondContact O-N 3Å; A1008-D1012 WeakPolarHBondContact O-CB 3.3Å; A1008-D1012 PolarHBondContact O-N 2.91Å
1009Q81.6Confident81.1Confident132 Ų13297.2 Ų97.262%0.61751%0.508SS*.Hα-helixtrans-59.8-38.8174-71.7173.711.700112L1005 S1006 D1012 A1013L1005-Q1009 WeakPolarHBondContact O-CB 3.39Å; L1005-Q1009 VanDerWaalsContact O-CG 3.28Å; L1005-Q1009 WeakPolarHBondContact O-CG 3.41Å; L1005-Q1009 PolarHBondContact O-N 3.22Å; S1006-Q1009 PolarHBondContact O-N 2.94Å; Q1009-D1012 PolarHBondContact O-N 3.19Å; Q1009-A1013 WeakPolarHBondContact O-CB 3.45Å; Q1009-A1013 PolarHBondContact O-N 3.49Å
1010V81.8Confident81.3Confident95 Ų9594.5 Ų94.558%0.57650%0.5SS*.Hα-helixtrans-68.3-37.6172.81690000111.3S1006 A1008 K1014S1006-V1010 WeakPolarHBondContact O-CB 3.35Å; S1006-V1010 VanDerWaalsContact O-CG2 3.25Å; S1006-V1010 WeakPolarHBondContact O-CG2 3.47Å; S1006-V1010 PolarHBondContact O-N 3.04Å; A1008-V1010 VanDerWaalsContact C-N 3.3Å; A1008-V1010 PolarHBondContact O-N 2.97Å; V1010-K1014 WeakPolarHBondContact O-CB 3.19Å; V1010-K1014 PolarHBondContact O-N 2.94Å
1011K82Confident81.6Confident103 Ų10391.6 Ų91.645%0.44849%0.492SS..Hα-helixtrans-67.1-39.3172.8-76.2158.2-161.7153.20111.6D1007 A1008 K1014 I1015D1007-K1011 VanDerWaalsContact O-CB 3.29Å; D1007-K1011 WeakPolarHBondContact O-CB 3.42Å; D1007-K1011 WeakPolarHBondContact O-CD 3.11Å; D1007-K1011 WeakPolarHBondContact O-CG 3.38Å; D1007-K1011 PolarHBondContact O-N 2.95Å; D1007-K1011 IonicContact OD2-NZ 3.14Å; D1007-K1011 PolarHBondContact OD2-NZ 2.77Å; A1008-K1011 CarbonylContact O-C 3.55Å; A1008-K1011 WeakPolarHBondContact O-CA 3.26Å; A1008-K1011 WeakPolarHBondContact O-CB 3.36Å; A1008-K1011 PolarHBondContact O-N 3Å; K1011-K1014 CarbonylContact O-C 3.55Å; K1011-K1014 WeakPolarHBondContact O-CA 3.23Å; K1011-K1014 WeakPolarHBondContact O-CB 3.3Å; K1011-K1014 PolarHBondContact O-N 3.37Å; K1011-I1015 WeakPolarHBondContact O-CB 3.41Å; K1011-I1015 WeakPolarHBondContact O-CG1 3.27Å; K1011-I1015 PolarHBondContact O-N 3.48Å
1012D82.6Confident81.8Confident90 Ų9092.4 Ų92.448%0.48150%0.496SS..Hα-helixtrans-73.3-42.8179.1-72.4-21.4000111.3A1008 Q1009 K1014 I1015 L1016A1008-D1012 WeakPolarHBondContact O-CB 3.3Å; A1008-D1012 PolarHBondContact O-N 2.91Å; Q1009-D1012 PolarHBondContact O-N 3.19Å; D1012-K1014 PolarHBondContact O-N 3Å; D1012-I1015 CarbonylContact O-C 3.22Å; D1012-I1015 PolarHBondContact O-N 3.22Å; D1012-I1015 VanDerWaalsContact O-N 3.08Å; D1012-L1016 WeakPolarHBondContact O-CB 3.34Å; D1012-L1016 VanDerWaalsContact O-CG 3.3Å; D1012-L1016 WeakPolarHBondContact O-CG 3.09Å; D1012-L1016 PolarHBondContact O-N 3.31Å
1013A80.4Confident82Confident59 Ų5990.3 Ų90.349%0.48849%0.486SS..Hα-helixtrans-58.7-36.216800000111.4Q1009 S1017Q1009-A1013 WeakPolarHBondContact O-CB 3.45Å; Q1009-A1013 PolarHBondContact O-N 3.49Å; A1013-S1017 WeakPolarHBondContact O-CB 3.31Å; A1013-S1017 PolarHBondContact O-N 2.97Å
1014K85.1Confident82.1Confident135 Ų13589.4 Ų89.459%0.58748%0.479SS*.Hα-helixtrans-72.5-33.5173.1-173.8174.1-179.1177.50112.6V1010 K1011 D1012 L1018V1010-K1014 WeakPolarHBondContact O-CB 3.19Å; V1010-K1014 PolarHBondContact O-N 2.94Å; K1011-K1014 CarbonylContact O-C 3.55Å; K1011-K1014 WeakPolarHBondContact O-CA 3.23Å; K1011-K1014 WeakPolarHBondContact O-CB 3.3Å; K1011-K1014 PolarHBondContact O-N 3.37Å; D1012-K1014 PolarHBondContact O-N 3Å; K1014-L1018 HydrophobicContact CG-CD1 4.11Å; K1014-L1018 HydrophobicContact CG-CG 4.48Å; K1014-L1018 WeakPolarHBondContact O-CB 3.27Å; K1014-L1018 WeakPolarHBondContact O-CG 3.16Å; K1014-L1018 PolarHBondContact O-N 3.43Å
1015I81.6Confident82.2Confident93 Ų9388.9 Ų88.948%0.47748%0.481SS..Hα-helixtrans-71.9-40.7174.7-74.4160.5000110.5K1011 D1012 L1018 S1019K1011-I1015 WeakPolarHBondContact O-CB 3.41Å; K1011-I1015 WeakPolarHBondContact O-CG1 3.27Å; K1011-I1015 PolarHBondContact O-N 3.48Å; D1012-I1015 CarbonylContact O-C 3.22Å; D1012-I1015 PolarHBondContact O-N 3.22Å; D1012-I1015 VanDerWaalsContact O-N 3.08Å; I1015-L1018 PolarHBondContact O-N 2.88Å; I1015-S1019 VanDerWaalsContact O-CB 3.25Å; I1015-S1019 WeakPolarHBondContact O-CB 3.34Å; I1015-S1019 PolarHBondContact O-N 3.08Å; I1015-S1019 PolarHBondContact O-OG 3.45Å
1016L82.7Confident82.4Confident122 Ų12290.4 Ų90.464%0.63948%0.479SS*.Hα-helixtrans-64.5-44.8171.5-69.9168.9000110.7D1012 S1019 A1020D1012-L1016 WeakPolarHBondContact O-CB 3.34Å; D1012-L1016 VanDerWaalsContact O-CG 3.3Å; D1012-L1016 WeakPolarHBondContact O-CG 3.09Å; D1012-L1016 PolarHBondContact O-N 3.31Å; L1016-S1019 PolarHBondContact O-N 3.23Å; L1016-A1020 VanDerWaalsContact O-CB 3.31Å; L1016-A1020 WeakPolarHBondContact O-CB 3.22Å; L1016-A1020 PolarHBondContact O-N 2.95Å
1017S84.8Confident82.7Confident54 Ų5490.6 Ų90.638%0.37848%0.478SS..Hα-helixtrans-63-40.9174.1-173.30000112.3A1013 K1021A1013-S1017 WeakPolarHBondContact O-CB 3.31Å; A1013-S1017 PolarHBondContact O-N 2.97Å; S1017-K1021 VanDerWaalsContact O-CB 3.32Å; S1017-K1021 WeakPolarHBondContact O-CB 3.29Å; S1017-K1021 WeakPolarHBondContact O-CG 3.43Å; S1017-K1021 PolarHBondContact O-N 2.88Å
1018L84.1Confident82.8Confident92 Ų9292.4 Ų92.448%0.48248%0.484SS..Hα-helixtrans-68.5-37174.1-78.1169.1000111.8K1014 I1015 K1021 L1022K1014-L1018 HydrophobicContact CG-CD1 4.11Å; K1014-L1018 HydrophobicContact CG-CG 4.48Å; K1014-L1018 WeakPolarHBondContact O-CB 3.27Å; K1014-L1018 WeakPolarHBondContact O-CG 3.16Å; K1014-L1018 PolarHBondContact O-N 3.43Å; I1015-L1018 PolarHBondContact O-N 2.88Å; L1018-K1021 CarbonylContact O-C 3.56Å; L1018-K1021 PolarHBondContact O-N 3.39Å; L1018-L1022 WeakPolarHBondContact O-CB 3.46Å; L1018-L1022 PolarHBondContact O-N 2.92Å
1019S84.6Confident83.1Confident66 Ų6696.4 Ų96.446%0.46250%0.495SS..Hα-helixtrans-68.6-44.8176.3-60.20000110.9I1015 L1016 K1021 L1022 E1023I1015-S1019 VanDerWaalsContact O-CB 3.25Å; I1015-S1019 WeakPolarHBondContact O-CB 3.34Å; I1015-S1019 PolarHBondContact O-N 3.08Å; I1015-S1019 PolarHBondContact O-OG 3.45Å; L1016-S1019 PolarHBondContact O-N 3.23Å; S1019-K1021 PolarHBondContact O-N 2.93Å; S1019-L1022 PolarHBondContact O-N 3.46Å; S1019-L1022 VanDerWaalsContact O-N 3.15Å; S1019-E1023 WeakPolarHBondContact O-CB 3.44Å; S1019-E1023 PolarHBondContact O-N 3.03Å
1020A82.7Confident83.2Confident49 Ų4994.9 Ų94.941%0.40549%0.491SS..Hα-helixtrans-68.4-21172.800000113.2L1016 R1024L1016-A1020 VanDerWaalsContact O-CB 3.31Å; L1016-A1020 WeakPolarHBondContact O-CB 3.22Å; L1016-A1020 PolarHBondContact O-N 2.95Å; A1020-R1024 WeakPolarHBondContact O-CB 3.44Å; A1020-R1024 WeakPolarHBondContact O-CG 3.26Å; A1020-R1024 PolarHBondContact O-N 3.13Å; A1020-R1024 PolarHBondContact O-NE 3.28Å
1021K85.1Confident83.3Confident109 Ų10994.8 Ų94.847%0.47449%0.487SS..Hα-helixtrans-79.4-41166.6-79.2172.1-179.9-178.50111.5S1017 L1018 S1019 R1024 C1025S1017-K1021 VanDerWaalsContact O-CB 3.32Å; S1017-K1021 WeakPolarHBondContact O-CB 3.29Å; S1017-K1021 WeakPolarHBondContact O-CG 3.43Å; S1017-K1021 PolarHBondContact O-N 2.88Å; L1018-K1021 CarbonylContact O-C 3.56Å; L1018-K1021 PolarHBondContact O-N 3.39Å; S1019-K1021 PolarHBondContact O-N 2.93Å; K1021-R1024 CarbonylContact O-C 3.53Å; K1021-R1024 WeakPolarHBondContact O-CB 3.44Å; K1021-R1024 PolarHBondContact O-N 3.47Å; K1021-C1025 WeakPolarHBondContact O-CB 3.49Å; K1021-C1025 PolarHBondContact O-N 2.87Å; K1021-C1025 PolarHBondContact O-SG 2.84Å
1022L83Confident83.3Confident95 Ų9593.3 Ų93.350%0.49749%0.489SS..Hα-helixtrans-68.8-36.9-179.1-163.7157.3000110.9L1018 S1019 C1025 R1026L1018-L1022 WeakPolarHBondContact O-CB 3.46Å; L1018-L1022 PolarHBondContact O-N 2.92Å; S1019-L1022 PolarHBondContact O-N 3.46Å; S1019-L1022 VanDerWaalsContact O-N 3.15Å; L1022-C1025 CarbonylContact O-C 3.56Å; L1022-C1025 PolarHBondContact O-N 3.27Å; L1022-R1026 HydrophobicContact CD2-CG 4.2Å; L1022-R1026 VanDerWaalsContact CD2-CZ 3.48Å; L1022-R1026 WeakPolarHBondContact O-CG 3.41Å; L1022-R1026 PolarHBondContact O-N 2.93Å
1023E83Confident83.3Confident90 Ų9091.8 Ų91.842%0.42148%0.481SS..Hα-helixtrans-71.3-33.7172.6-157.156.9-130.800112.4S1019 R1026 T1027S1019-E1023 WeakPolarHBondContact O-CB 3.44Å; S1019-E1023 PolarHBondContact O-N 3.03Å; E1023-R1026 PolarHBondContact O-N 2.99Å; E1023-R1026 WeakPolarHBondContact OE2-CD 3.24Å; E1023-R1026 IonicContact OE2-CZ 2.73Å; E1023-R1026 IonicContact OE2-NE 2.73Å; E1023-R1026 IonicContact OE2-NH1 3.93Å; E1023-R1026 PolarHBondContact OE2-NH1 3.49Å; E1023-T1027 PolarHBondContact O-N 2.99Å; E1023-T1027 PolarHBondContact O-OG1 3.28Å
1024R82.6Confident83.5Confident133 Ų13395.3 Ų95.350%0.50249%0.485SS..Hα-helixtrans-63.1-45.2164.7-86.1179.6-73.5-176.4-5.1111.4A1020 K1021 R1026 T1027 E1028A1020-R1024 WeakPolarHBondContact O-CB 3.44Å; A1020-R1024 WeakPolarHBondContact O-CG 3.26Å; A1020-R1024 PolarHBondContact O-N 3.13Å; A1020-R1024 PolarHBondContact O-NE 3.28Å; K1021-R1024 CarbonylContact O-C 3.53Å; K1021-R1024 WeakPolarHBondContact O-CB 3.44Å; K1021-R1024 PolarHBondContact O-N 3.47Å; R1024-R1026 VanDerWaalsContact C-N 3.29Å; R1024-R1026 PolarHBondContact O-N 3.22Å; R1024-T1027 WeakPolarHBondContact CA-OG1 3.38Å; R1024-T1027 PolarHBondContact O-N 2.92Å; R1024-T1027 PolarHBondContact O-OG1 3.02Å; R1024-T1027 VanDerWaalsContact O-OG1 3.11Å; R1024-E1028 WeakPolarHBondContact O-CA 3.32Å; R1024-E1028 WeakPolarHBondContact O-CB 3.48Å; R1024-E1028 WeakPolarHBondContact O-CG 3.33Å; R1024-E1028 PolarHBondContact O-N 3.41Å
1025C80.3Confident83.4Confident72 Ų7297.3 Ų97.349%0.48649%0.489SS..Hα-helixtrans-66.7-27176.3-65.80000113K1021 L1022 K1029K1021-C1025 WeakPolarHBondContact O-CB 3.49Å; K1021-C1025 PolarHBondContact O-N 2.87Å; K1021-C1025 PolarHBondContact O-SG 2.84Å; L1022-C1025 CarbonylContact O-C 3.56Å; L1022-C1025 PolarHBondContact O-N 3.27Å; C1025-K1029 WeakPolarHBondContact O-CB 3.42Å; C1025-K1029 PolarHBondContact O-N 2.86Å
1026R86.5Confident83.3Confident137 Ų13798.3 Ų98.352%0.51750%0.495SS..Hα-helixtrans-68.5-53.8169.8-77.9167173.9165.7-0.3110.9L1022 E1023 R1024 E1028 K1029 D1030L1022-R1026 HydrophobicContact CD2-CG 4.2Å; L1022-R1026 VanDerWaalsContact CD2-CZ 3.48Å; L1022-R1026 WeakPolarHBondContact O-CG 3.41Å; L1022-R1026 PolarHBondContact O-N 2.93Å; E1023-R1026 PolarHBondContact O-N 2.99Å; E1023-R1026 WeakPolarHBondContact OE2-CD 3.24Å; E1023-R1026 IonicContact OE2-CZ 2.73Å; E1023-R1026 IonicContact OE2-NE 2.73Å; E1023-R1026 IonicContact OE2-NH1 3.93Å; E1023-R1026 PolarHBondContact OE2-NH1 3.49Å; R1024-R1026 VanDerWaalsContact C-N 3.29Å; R1024-R1026 PolarHBondContact O-N 3.22Å; R1026-E1028 VanDerWaalsContact C-N 3.35Å; R1026-E1028 PolarHBondContact O-N 3.46Å; R1026-K1029 CarbonylContact O-C 3.51Å; R1026-K1029 WeakPolarHBondContact O-CA 3.35Å; R1026-K1029 WeakPolarHBondContact O-CB 3.41Å; R1026-K1029 PolarHBondContact O-N 3.12Å; R1026-K1029 VanDerWaalsContact O-N 3.09Å; R1026-D1030 PolarHBondContact O-N 2.74Å
1027T83.6Confident83.3Confident67 Ų6799.8 Ų99.841%0.41150%0.496SS..Hα-helixtrans-67.3-33179.350.60000112.8E1023 R1024 N1031E1023-T1027 PolarHBondContact O-N 2.99Å; E1023-T1027 PolarHBondContact O-OG1 3.28Å; R1024-T1027 WeakPolarHBondContact CA-OG1 3.38Å; R1024-T1027 PolarHBondContact O-N 2.92Å; R1024-T1027 PolarHBondContact O-OG1 3.02Å; R1024-T1027 VanDerWaalsContact O-OG1 3.11Å; T1027-N1031 WeakPolarHBondContact O-CB 3.49Å; T1027-N1031 PolarHBondContact O-N 3.22Å; T1027-N1031 PolarHBondContact O-ND2 2.69Å
1028E82.3Confident83Confident110 Ų110101.2 Ų101.251%0.51450%0.499SS..Hα-helixtrans-67-41.5167.7-74.8170.1177.600111.3R1024 R1026 N1031 C1032R1024-E1028 WeakPolarHBondContact O-CA 3.32Å; R1024-E1028 WeakPolarHBondContact O-CB 3.48Å; R1024-E1028 WeakPolarHBondContact O-CG 3.33Å; R1024-E1028 PolarHBondContact O-N 3.41Å; R1026-E1028 VanDerWaalsContact C-N 3.35Å; R1026-E1028 PolarHBondContact O-N 3.46Å; E1028-N1031 CarbonylContact O-C 3.46Å; E1028-N1031 PolarHBondContact O-N 3.46Å; E1028-C1032 VanDerWaalsContact O-CB 3.23Å; E1028-C1032 WeakPolarHBondContact O-CB 3.36Å; E1028-C1032 PolarHBondContact O-N 2.72Å; E1028-C1032 PolarHBondContact O-SG 2.84Å
1029K84.8Confident82.6Confident122 Ų122100 Ų10053%0.5350%0.498SS..Hα-helixtrans-61.9-47173.8-175.3-159.8171-143.40110.8C1025 R1026 N1031 C1032 D1033C1025-K1029 WeakPolarHBondContact O-CB 3.42Å; C1025-K1029 PolarHBondContact O-N 2.86Å; R1026-K1029 CarbonylContact O-C 3.51Å; R1026-K1029 WeakPolarHBondContact O-CA 3.35Å; R1026-K1029 WeakPolarHBondContact O-CB 3.41Å; R1026-K1029 PolarHBondContact O-N 3.12Å; R1026-K1029 VanDerWaalsContact O-N 3.09Å; K1029-N1031 VanDerWaalsContact C-N 3.3Å; K1029-N1031 PolarHBondContact O-N 3.42Å; K1029-C1032 CarbonylContact O-C 3.6Å; K1029-C1032 WeakPolarHBondContact O-CA 3.32Å; K1029-C1032 WeakPolarHBondContact O-CB 3.46Å; K1029-C1032 PolarHBondContact O-N 2.74Å; K1029-D1033 VanDerWaalsContact CE-OD2 3.27Å; K1029-D1033 WeakPolarHBondContact CE-OD2 3.37Å; K1029-D1033 IonicContact NZ-OD2 3.94Å; K1029-D1033 WeakPolarHBondContact O-CB 3.35Å; K1029-D1033 PolarHBondContact O-N 2.85Å
1030D83.8Confident82.3Confident99 Ų9999.4 Ų99.453%0.52949%0.493SS..Hα-helixtrans-64.1-37.8179.5-67.9-23.7000111.5R1026 K1034R1026-D1030 PolarHBondContact O-N 2.74Å; D1030-K1034 VanDerWaalsContact O-CB 3.31Å; D1030-K1034 WeakPolarHBondContact O-CB 3.39Å; D1030-K1034 PolarHBondContact O-N 3.46Å
1031N85Confident81.9Confident94 Ų9499.8 Ų99.850%0.50350%0.497SS..Hα-helixtrans-67-36.1170.1-80.8-59.2000112.6T1027 E1028 K1029 R1035T1027-N1031 WeakPolarHBondContact O-CB 3.49Å; T1027-N1031 PolarHBondContact O-N 3.22Å; T1027-N1031 PolarHBondContact O-ND2 2.69Å; E1028-N1031 CarbonylContact O-C 3.46Å; E1028-N1031 PolarHBondContact O-N 3.46Å; K1029-N1031 VanDerWaalsContact C-N 3.3Å; K1029-N1031 PolarHBondContact O-N 3.42Å; N1031-R1035 WeakPolarHBondContact O-CB 3.43Å; N1031-R1035 VanDerWaalsContact O-CG 3.22Å; N1031-R1035 WeakPolarHBondContact O-CG 3.26Å; N1031-R1035 PolarHBondContact O-N 3.43Å
1032C80.1Confident81.6Confident71 Ų71103 Ų10348%0.4851%0.506SS..Hα-helixtrans-69.5-44174.5-79.30000111.5E1028 K1029 K1034 R1035 L1036E1028-C1032 VanDerWaalsContact O-CB 3.23Å; E1028-C1032 WeakPolarHBondContact O-CB 3.36Å; E1028-C1032 PolarHBondContact O-N 2.72Å; E1028-C1032 PolarHBondContact O-SG 2.84Å; K1029-C1032 CarbonylContact O-C 3.6Å; K1029-C1032 WeakPolarHBondContact O-CA 3.32Å; K1029-C1032 WeakPolarHBondContact O-CB 3.46Å; K1029-C1032 PolarHBondContact O-N 2.74Å; C1032-K1034 VanDerWaalsContact C-N 3.27Å; C1032-K1034 PolarHBondContact O-N 3.43Å; C1032-R1035 CarbonylContact O-C 3.54Å; C1032-R1035 PolarHBondContact O-N 3.42Å; C1032-L1036 WeakPolarHBondContact O-CA 3.39Å; C1032-L1036 WeakPolarHBondContact O-CB 3.24Å; C1032-L1036 PolarHBondContact O-N 2.78Å
1033D83.4Confident81.2Confident58 Ų58102.1 Ų102.131%0.3150%0.502SS..Hα-helixtrans-63.4-34.5175.1-77.8-17000110.8K1029 K1037K1029-D1033 VanDerWaalsContact CE-OD2 3.27Å; K1029-D1033 WeakPolarHBondContact CE-OD2 3.37Å; K1029-D1033 IonicContact NZ-OD2 3.94Å; K1029-D1033 WeakPolarHBondContact O-CB 3.35Å; K1029-D1033 PolarHBondContact O-N 2.85Å; D1033-K1037 WeakPolarHBondContact O-CD 3.31Å; D1033-K1037 VanDerWaalsContact O-CG 3.28Å; D1033-K1037 WeakPolarHBondContact O-CG 3.22Å; D1033-K1037 PolarHBondContact O-N 3.45Å
1034K84.4Confident81.1Confident134 Ų134104.7 Ų104.758%0.58351%0.511SS*.Hα-helixtrans-66.2-51169.5-169.8175.4-177.4179.10111.6D1030 C1032 L1036 K1037 D1038D1030-K1034 VanDerWaalsContact O-CB 3.31Å; D1030-K1034 WeakPolarHBondContact O-CB 3.39Å; D1030-K1034 PolarHBondContact O-N 3.46Å; C1032-K1034 VanDerWaalsContact C-N 3.27Å; C1032-K1034 PolarHBondContact O-N 3.43Å; K1034-L1036 PolarHBondContact O-N 3.08Å; K1034-K1037 WeakPolarHBondContact O-CB 3.46Å; K1034-K1037 PolarHBondContact O-N 3.33Å; K1034-D1038 PolarHBondContact O-N 3.2Å
1035R83.4Confident80.7Confident177 Ų177102.7 Ų102.767%0.66851%0.514SS*.Hα-helixtrans-64-24.5175.1-70.6173.487.4-179.58.1112.8N1031 C1032 C1039N1031-R1035 WeakPolarHBondContact O-CB 3.43Å; N1031-R1035 VanDerWaalsContact O-CG 3.22Å; N1031-R1035 WeakPolarHBondContact O-CG 3.26Å; N1031-R1035 PolarHBondContact O-N 3.43Å; C1032-R1035 CarbonylContact O-C 3.54Å; C1032-R1035 PolarHBondContact O-N 3.42Å; R1035-C1039 WeakPolarHBondContact O-CB 3.42Å; R1035-C1039 PolarHBondContact O-N 3.24Å; R1035-C1039 PolarHBondContact O-SG 2.77Å
1036L79Confident80.5Confident114 Ų114101.4 Ų101.460%0.59751%0.509SS*.Hα-helixtrans-83.5-31.6178.7-168.3152.3000110.8C1032 K1034 S1040C1032-L1036 WeakPolarHBondContact O-CA 3.39Å; C1032-L1036 WeakPolarHBondContact O-CB 3.24Å; C1032-L1036 PolarHBondContact O-N 2.78Å; K1034-L1036 PolarHBondContact O-N 3.08Å; L1036-S1040 WeakPolarHBondContact O-CB 3.13Å; L1036-S1040 PolarHBondContact O-N 3.22Å
1037K82.2Confident80Confident153 Ų15399.4 Ų99.467%0.66551%0.505SS*.Hα-helixtrans-63.3-47.3163.5-72.4163.3-174.41710110.9D1033 K1034 C1039 S1040 A1041D1033-K1037 WeakPolarHBondContact O-CD 3.31Å; D1033-K1037 VanDerWaalsContact O-CG 3.28Å; D1033-K1037 WeakPolarHBondContact O-CG 3.22Å; D1033-K1037 PolarHBondContact O-N 3.45Å; K1034-K1037 WeakPolarHBondContact O-CB 3.46Å; K1034-K1037 PolarHBondContact O-N 3.33Å; K1037-C1039 PolarHBondContact O-N 2.79Å; K1037-S1040 WeakPolarHBondContact O-CB 3.2Å; K1037-S1040 PolarHBondContact O-N 2.99Å; K1037-A1041 PolarHBondContact O-N 2.83Å
1038D78.9Confident79.5Confident84 Ų8499 Ų9945%0.44951%0.509SS..Hα-helixtrans-61.9-43.6175.1-67-19.7000112K1034 A1041 R1042K1034-D1038 PolarHBondContact O-N 3.2Å; D1038-A1041 PolarHBondContact O-N 3.48Å; D1038-R1042 WeakPolarHBondContact O-CG 3.41Å; D1038-R1042 PolarHBondContact O-N 3.31Å
1039C75Confident79.3Confident67 Ų67100.3 Ų100.345%0.45351%0.513SS..Hα-helixtrans-70-28.2175.3-79.40000112.7R1035 K1037 R1042 N1043R1035-C1039 WeakPolarHBondContact O-CB 3.42Å; R1035-C1039 PolarHBondContact O-N 3.24Å; R1035-C1039 PolarHBondContact O-SG 2.77Å; K1037-C1039 PolarHBondContact O-N 2.79Å; C1039-R1042 PolarHBondContact O-N 3.41Å; C1039-N1043 WeakPolarHBondContact O-CA 2.99Å; C1039-N1043 WeakPolarHBondContact O-CB 3.47Å; C1039-N1043 PolarHBondContact O-N 3.3Å
1040S79.2Confident78.5Confident52 Ų5297.1 Ų97.136%0.36451%0.509SS..Hα-helixtrans-67.1-41.5171.6-174.40000110.9L1036 K1037 N1043 K1044L1036-S1040 WeakPolarHBondContact O-CB 3.13Å; L1036-S1040 PolarHBondContact O-N 3.22Å; K1037-S1040 WeakPolarHBondContact O-CB 3.2Å; K1037-S1040 PolarHBondContact O-N 2.99Å; S1040-N1043 PolarHBondContact O-N 3.27Å; S1040-K1044 WeakPolarHBondContact O-CG 3.38Å; S1040-K1044 PolarHBondContact O-N 2.98Å
1041A74.8Confident78.3Confident58 Ų5898.5 Ų98.548%0.47952%0.516SS..Hα-helixtrans-62.5-44.6172.300000111.8K1037 D1038 T1045K1037-A1041 PolarHBondContact O-N 2.83Å; D1038-A1041 PolarHBondContact O-N 3.48Å; A1041-T1045 PolarHBondContact O-N 3.41Å; A1041-T1045 PolarHBondContact O-OG1 3.04Å
1042R78.8Confident77.7Confident175 Ų175101.3 Ų101.366%0.6652%0.524SS*.Hα-helixtrans-64.9-37.6173.8-67.3174.4-168.5-174.34112.7D1038 C1039 T1045 A1046D1038-R1042 WeakPolarHBondContact O-CG 3.41Å; D1038-R1042 PolarHBondContact O-N 3.31Å; C1039-R1042 PolarHBondContact O-N 3.41Å; R1042-T1045 CarbonylContact O-C 3.53Å; R1042-T1045 WeakPolarHBondContact O-CA 3.39Å; R1042-T1045 VanDerWaalsContact O-CB 3.28Å; R1042-T1045 WeakPolarHBondContact O-CB 3.45Å; R1042-T1045 PolarHBondContact O-N 3.4Å; R1042-T1045 VanDerWaalsContact O-N 3.11Å; R1042-A1046 WeakPolarHBondContact O-CB 3.4Å; R1042-A1046 PolarHBondContact O-N 2.84Å
1043N74.7Confident77.5Confident78 Ų78103 Ų10342%0.41753%0.527SS..Hα-helixtrans-69.6-42.3-178.4-173.556.3000111.1C1039 S1040 T1045 A1046 E1047C1039-N1043 WeakPolarHBondContact O-CA 2.99Å; C1039-N1043 WeakPolarHBondContact O-CB 3.47Å; C1039-N1043 PolarHBondContact O-N 3.3Å; S1040-N1043 PolarHBondContact O-N 3.27Å; N1043-T1045 PolarHBondContact O-N 3.26Å; N1043-A1046 CarbonylContact O-C 3.5Å; N1043-A1046 WeakPolarHBondContact O-CA 3.28Å; N1043-A1046 WeakPolarHBondContact O-CB 3.31Å; N1043-A1046 PolarHBondContact O-N 2.66Å; N1043-E1047 VanDerWaalsContact ND2-CD 3.28Å; N1043-E1047 PolarHBondContact ND2-OE1 3.44Å; N1043-E1047 WeakPolarHBondContact O-CG 3.31Å; N1043-E1047 PolarHBondContact O-N 3.02Å
1044K79.6Confident77.1Confident143 Ų143104.8 Ų104.862%0.62253%0.534SS*.Hα-helixtrans-56.7-33.4169-69.5174.8-176.8-176.20112.3S1040 A1046 E1047S1040-K1044 WeakPolarHBondContact O-CG 3.38Å; S1040-K1044 PolarHBondContact O-N 2.98Å; K1044-A1046 VanDerWaalsContact C-N 3.34Å; K1044-E1047 WeakPolarHBondContact CA-OE2 3.46Å
1045T75.4Confident76.7Confident91 Ų91103.7 Ų103.756%0.55853%0.534SS*.Hα-helixtrans-77.3-17.8174.3-44.40000113.2A1041 R1042 N1043A1041-T1045 PolarHBondContact O-N 3.41Å; A1041-T1045 PolarHBondContact O-OG1 3.04Å; R1042-T1045 CarbonylContact O-C 3.53Å; R1042-T1045 WeakPolarHBondContact O-CA 3.39Å; R1042-T1045 VanDerWaalsContact O-CB 3.28Å; R1042-T1045 WeakPolarHBondContact O-CB 3.45Å; R1042-T1045 PolarHBondContact O-N 3.4Å; R1042-T1045 VanDerWaalsContact O-N 3.11Å; N1043-T1045 PolarHBondContact O-N 3.26Å
1046A75.2Confident76.4Confident45 Ų45100 Ų10037%0.37253%0.527SS..Hα-helixtrans-98.2-36.1-179.900000112.9R1042 N1043 K1044 A1048 K1049 A1050R1042-A1046 WeakPolarHBondContact O-CB 3.4Å; R1042-A1046 PolarHBondContact O-N 2.84Å; N1043-A1046 CarbonylContact O-C 3.5Å; N1043-A1046 WeakPolarHBondContact O-CA 3.28Å; N1043-A1046 WeakPolarHBondContact O-CB 3.31Å; N1043-A1046 PolarHBondContact O-N 2.66Å; K1044-A1046 VanDerWaalsContact C-N 3.34Å; A1046-A1048 VanDerWaalsContact C-N 3.26Å; A1046-A1048 PolarHBondContact O-N 3.29Å; A1046-K1049 CarbonylContact O-C 3.59Å; A1046-K1049 WeakPolarHBondContact O-CA 3.45Å; A1046-K1049 WeakPolarHBondContact O-CB 3.49Å; A1046-K1049 PolarHBondContact O-N 2.87Å; A1046-A1050 PolarHBondContact O-N 3.42Å
1047E76.7Confident76.1Confident96 Ų9698.7 Ų98.745%0.44952%0.519SS..Hα-helixtrans-55.5-43.7169.5-72.2165.1163.100110.3N1043 K1044 K1049 A1050 L1051N1043-E1047 VanDerWaalsContact ND2-CD 3.28Å; N1043-E1047 PolarHBondContact ND2-OE1 3.44Å; N1043-E1047 WeakPolarHBondContact O-CG 3.31Å; N1043-E1047 PolarHBondContact O-N 3.02Å; K1044-E1047 WeakPolarHBondContact CA-OE2 3.46Å; E1047-K1049 PolarHBondContact O-N 3.1Å; E1047-A1050 PolarHBondContact O-N 2.92Å; E1047-A1050 VanDerWaalsContact O-N 3.17Å; E1047-L1051 WeakPolarHBondContact O-CB 3.35Å; E1047-L1051 PolarHBondContact O-N 3.31Å
1048A72Confident76Confident58 Ų5896 Ų9648%0.47951%0.512SS..Hα-helixtrans-62.3-8.2171.900000114.9A1046 K1052A1046-A1048 VanDerWaalsContact C-N 3.26Å; A1046-A1048 PolarHBondContact O-N 3.29Å; A1048-K1052 WeakPolarHBondContact O-CE 3.48Å
1049K78.4Confident75.9Confident137 Ų13798.2 Ų98.260%0.59652%0.523SS*.Hα-helixtrans-107.4-38.9170-60.6179.5-178.3-178.10112A1046 E1047 L1051 K1052 L1053A1046-K1049 CarbonylContact O-C 3.59Å; A1046-K1049 WeakPolarHBondContact O-CA 3.45Å; A1046-K1049 WeakPolarHBondContact O-CB 3.49Å; A1046-K1049 PolarHBondContact O-N 2.87Å; E1047-K1049 PolarHBondContact O-N 3.1Å; K1049-L1051 VanDerWaalsContact C-N 3.34Å; K1049-L1051 PolarHBondContact O-N 3.44Å; K1049-K1052 WeakPolarHBondContact O-CA 3.39Å; K1049-K1052 VanDerWaalsContact O-CB 3.31Å; K1049-K1052 WeakPolarHBondContact O-CB 3.29Å; K1049-K1052 PolarHBondContact O-N 2.93Å; K1049-L1053 PolarHBondContact O-N 3.02Å
1050A68.4Low76.2Confident55 Ų55100 Ų10046%0.45553%0.528SS..Hα-helixtrans-62.9-38.4178.600000112.1A1046 E1047 K1052 L1053 Q1054A1046-A1050 PolarHBondContact O-N 3.42Å; E1047-A1050 PolarHBondContact O-N 2.92Å; E1047-A1050 VanDerWaalsContact O-N 3.17Å; A1050-K1052 PolarHBondContact O-N 2.86Å; A1050-K1052 VanDerWaalsContact O-N 3.11Å; A1050-L1053 PolarHBondContact O-N 3.47Å; A1050-Q1054 PolarHBondContact O-N 2.87Å
1051L79.2Confident76Confident128 Ų128101.9 Ų101.967%0.6754%0.537SS*.THydrogen-bonded Turntrans-59.3-18.2170.1-98160.3000114E1047 K1049E1047-L1051 WeakPolarHBondContact O-CB 3.35Å; E1047-L1051 PolarHBondContact O-N 3.31Å; K1049-L1051 VanDerWaalsContact C-N 3.34Å; K1049-L1051 PolarHBondContact O-N 3.44Å
1052K73.2Confident75.9Confident154 Ų154102.6 Ų102.667%0.6754%0.543SS*.THydrogen-bonded Turntrans-90.7-13.8173.3-52.7-174.2179.7-173.60113A1048 K1049 A1050A1048-K1052 WeakPolarHBondContact O-CE 3.48Å; K1049-K1052 WeakPolarHBondContact O-CA 3.39Å; K1049-K1052 VanDerWaalsContact O-CB 3.31Å; K1049-K1052 WeakPolarHBondContact O-CB 3.29Å; K1049-K1052 PolarHBondContact O-N 2.93Å; A1050-K1052 PolarHBondContact O-N 2.86Å; A1050-K1052 VanDerWaalsContact O-N 3.11Å
1053L75.7Confident76Confident106 Ų106100.1 Ų100.156%0.55554%0.539SS*.THydrogen-bonded Turntrans-99.5-34.9-179.9-68.1175.1000112.8K1049 A1050 N1055 I1056 I1057K1049-L1053 PolarHBondContact O-N 3.02Å; A1050-L1053 PolarHBondContact O-N 3.47Å; L1053-N1055 VanDerWaalsContact C-N 3.27Å; L1053-N1055 PolarHBondContact O-N 2.92Å; L1053-I1056 HydrophobicContact CD2-CD1 4.24Å; L1053-I1056 WeakPolarHBondContact O-CB 3.49Å; L1053-I1056 PolarHBondContact O-N 3.36Å; L1053-I1057 PolarHBondContact O-N 3.38Å
1054Q75.4Confident76.1Confident95 Ų95104.2 Ų104.244%0.44455%0.553SS.*Hα-helixtrans-55.7-45.3178.8-176.159.543.300111.5A1050 I1056 I1057 D1058A1050-Q1054 PolarHBondContact O-N 2.87Å; Q1054-I1056 PolarHBondContact O-N 3.42Å; Q1054-I1057 PolarHBondContact O-N 2.98Å; Q1054-D1058 PolarHBondContact NE2-OD1 3.39Å; Q1054-D1058 PolarHBondContact O-N 2.93Å
1055N76Confident75.9Confident111 Ų111104.3 Ų104.359%0.59456%0.556SS**Hα-helixtrans-58.6-7.3177.4-57.4-1.4000114.5L1053L1053-N1055 VanDerWaalsContact C-N 3.27Å; L1053-N1055 PolarHBondContact O-N 2.92Å
1056I76.7Confident76.1Confident100 Ų100105.5 Ų105.551%0.51356%0.559SS.*Hα-helixtrans-100.7-31.5175.8-51178.8000111L1053 Q1054L1053-I1056 HydrophobicContact CD2-CD1 4.24Å; L1053-I1056 WeakPolarHBondContact O-CB 3.49Å; L1053-I1056 PolarHBondContact O-N 3.36Å; Q1054-I1056 PolarHBondContact O-N 3.42Å
1057I73.2Confident76.3Confident87 Ų87110.4 Ų110.445%0.44657%0.572SS.*Hα-helixtrans-74.5-33.8-176.8-66.1174.8000111.7L1053 Q1054 L1059 L1060 T1061L1053-I1057 PolarHBondContact O-N 3.38Å; Q1054-I1057 PolarHBondContact O-N 2.98Å; I1057-L1059 PolarHBondContact O-N 3.45Å; I1057-L1060 PolarHBondContact O-N 3.24Å; I1057-L1060 VanDerWaalsContact O-N 3.08Å; I1057-T1061 PolarHBondContact O-N 3.14Å; I1057-T1061 PolarHBondContact O-OG1 3.44Å
1058D79.4Confident76.2Confident96 Ų96109 Ų10951%0.51358%0.577SS.*Hα-helixtrans-62.9-25.9-178.1-58.9-28.7000112.2Q1054Q1054-D1058 PolarHBondContact NE2-OD1 3.39Å; Q1054-D1058 PolarHBondContact O-N 2.93Å
1059L77.8Confident76.4Confident130 Ų130113 Ų11368%0.68159%0.585SS**Hα-helixtrans-66.6-48.3170.6-85.391.9000112.7I1057 T1061I1057-L1059 PolarHBondContact O-N 3.45Å; L1059-T1061 VanDerWaalsContact C-N 3.3Å; L1059-T1061 PolarHBondContact O-N 3.38Å
1060L80.5Confident76.4Confident104 Ų104112.4 Ų112.455%0.54559%0.585SS.*Hα-helixtrans-69.5-27.7-171.2-64.8173000112.9I1057 A1062 E1063I1057-L1060 PolarHBondContact O-N 3.24Å; I1057-L1060 VanDerWaalsContact O-N 3.08Å; L1060-A1062 PolarHBondContact O-N 2.69Å; L1060-E1063 PolarHBondContact O-N 2.9Å
1061T75.4Confident76.6Confident93 Ų93112.6 Ų112.657%0.57159%0.586SS**Hα-helixtrans-65.8-28.3-175.9-57.20000112.3I1057 L1059 E1063I1057-T1061 PolarHBondContact O-N 3.14Å; I1057-T1061 PolarHBondContact O-OG1 3.44Å; L1059-T1061 VanDerWaalsContact C-N 3.3Å; L1059-T1061 PolarHBondContact O-N 3.38Å; T1061-E1063 VanDerWaalsContact C-N 3.32Å; T1061-E1063 PolarHBondContact O-N 3.39Å
1062A73.5Confident76.6Confident73 Ų73113.9 Ų113.960%0.60359%0.589SS**Hα-helixtrans-65.1-32176.300000113.1L1060L1060-A1062 PolarHBondContact O-N 2.69Å
1063E79.4Confident76.9Confident123 Ų123114.1 Ų114.158%0.57559%0.59SS**Hα-helixtrans-70.4-37-175.4-56.3-175.8137.600112.2L1060 T1061 H1065L1060-E1063 PolarHBondContact O-N 2.9Å; T1061-E1063 VanDerWaalsContact C-N 3.32Å; T1061-E1063 PolarHBondContact O-N 3.39Å; E1063-H1065 VanDerWaalsContact C-N 3.28Å; E1063-H1065 PolarHBondContact O-N 3.41Å
1064K76.8Confident77.1Confident163 Ų163115 Ų11571%0.70959%0.594SS**Hα-helixtrans-60.3-34.7-175.4179.9-178.3173.8-173.80113.3N1066 F1067K1064-N1066 PolarHBondContact O-N 3.45Å; K1064-F1067 PolarHBondContact O-N 2.82Å
1065H76.5Confident77.2Confident146 Ų146120.4 Ų120.468%0.67661%0.611SS**G310 helixtrans-66.5-25.7-165.6-143.2-54.8000113.2E1063E1063-H1065 VanDerWaalsContact C-N 3.28Å; E1063-H1065 PolarHBondContact O-N 3.41Å
1066N77.9Confident77.4Confident116 Ų116124.2 Ų124.262%0.6262%0.618SS**G310 helixtrans-66.8-36.6179.3-62.5-37.2000113.2K1064 A1068K1064-N1066 PolarHBondContact O-N 3.45Å; N1066-A1068 PolarHBondContact O-N 3.05Å
1067F80.1Confident77.3Confident147 Ų147126.4 Ų126.465%0.64563%0.626SS**G310 helixtrans-69.1-19.2-175.1-68.3-66.2000114K1064 E1069K1064-F1067 PolarHBondContact O-N 2.82Å; F1067-E1069 PolarHBondContact O-N 3.35Å
1068A74.1Confident77.4Confident67 Ų67128.6 Ų128.655%0.55464%0.638SS**G310 helixtrans-70-32.2-176.500000113N1066 E1070N1066-A1068 PolarHBondContact O-N 3.05Å; A1068-E1070 VanDerWaalsContact C-N 3.33Å; A1068-E1070 PolarHBondContact O-N 3.41Å
1069E77.3Confident77.4Confident142 Ų142129.5 Ų129.566%0.66464%0.639SS**THydrogen-bonded Turntrans-73.9-23.4-175-58.1-168.7158.700113.1F1067F1067-E1069 PolarHBondContact O-N 3.35Å
1070E78.8Confident77.2Confident125 Ų125129.3 Ų129.358%0.58464%0.638SS**Hα-helixtrans-70.5-42.1179.2-58.5-165.912000111.9A1068 Q1072 K1073A1068-E1070 VanDerWaalsContact C-N 3.33Å; A1068-E1070 PolarHBondContact O-N 3.41Å; E1070-Q1072 PolarHBondContact O-N 3.44Å; E1070-Q1072 VanDerWaalsContact O-N 3.15Å; E1070-K1073 PolarHBondContact O-N 3.42Å
1071A72.5Confident76.8Confident58 Ų58128.4 Ų128.448%0.47964%0.641SS.*Hα-helixtrans-64-22.5-173.900000114.1
1072Q77.9Confident76.9Confident155 Ų155130 Ų13072%0.72464%0.639SS**Hα-helixtrans-73.3-30.2-179.8-167.6168.6-1.700112.5E1070 L1074E1070-Q1072 PolarHBondContact O-N 3.44Å; E1070-Q1072 VanDerWaalsContact O-N 3.15Å; Q1072-L1074 PolarHBondContact O-N 2.82Å
1073K80.6Confident76.9Confident159 Ų159133.8 Ų133.869%0.69165%0.645SS**Hα-helixtrans-67.6-36.4-177.1-66170.4-176164.30112.8E1070 R1075E1070-K1073 PolarHBondContact O-N 3.42Å; K1073-R1075 VanDerWaalsContact C-N 3.32Å; K1073-R1075 PolarHBondContact O-N 3.27Å
1074L78.2Confident76.4Confident124 Ų124135.3 Ų135.365%0.64965%0.652SS**Hα-helixtrans-64.1-32.4-175.3-72.5167.7000113.5Q1072 Y1076 Q1077Q1072-L1074 PolarHBondContact O-N 2.82Å; L1074-Y1076 VanDerWaalsContact C-N 3.25Å; L1074-Y1076 PolarHBondContact O-N 2.98Å; L1074-Q1077 PolarHBondContact O-N 2.9Å
1075R79.2Confident76.1Confident209 Ų209136.7 Ų136.779%0.78965%0.654SS**G310 helixtrans-65.6-26.1-173.9-63.9-176.5-176.6-116.50.6113.7K1073 Q1077K1073-R1075 VanDerWaalsContact C-N 3.32Å; K1073-R1075 PolarHBondContact O-N 3.27Å; R1075-Q1077 PolarHBondContact O-N 3.45Å
1076Y79.8Confident75.9Confident192 Ų192136.5 Ų136.575%0.75365%0.654SS**G310 helixtrans-70.7-27.5-176.1-176.6-105.4000113.6L1074 L1078L1074-Y1076 VanDerWaalsContact C-N 3.25Å; L1074-Y1076 PolarHBondContact O-N 2.98Å; Y1076-L1078 VanDerWaalsContact C-N 3.35Å; Y1076-L1078 PolarHBondContact O-N 3.18Å
1077Q73.9Confident75.5Confident146 Ų146137 Ų13768%0.68266%0.656SS**G310 helixtrans-73.8-23.2-175.2-69.8-177.3-22.700113.9L1074 R1075 E1079L1074-Q1077 PolarHBondContact O-N 2.9Å; R1075-Q1077 PolarHBondContact O-N 3.45Å; Q1077-E1079 PolarHBondContact O-N 3.16Å
1078L75.8Confident74.8Confident132 Ų132137.2 Ų137.269%0.69166%0.659SS**SBendtrans-69.8-35.1-170.9-171.366.1000113.4Y1076 L1080 S1081Y1076-L1078 VanDerWaalsContact C-N 3.35Å; Y1076-L1078 PolarHBondContact O-N 3.18Å; L1078-L1080 VanDerWaalsContact C-N 3.34Å; L1078-L1080 PolarHBondContact O-N 3.23Å; L1078-S1081 PolarHBondContact O-N 3.02Å
1079E79.1Confident74.5Confident116 Ų116143.8 Ų143.854%0.54267%0.67SS.*G310 helixtrans-70.2-29.8-168.6-159.860.9-159.300113.3Q1077 S1081 K1082Q1077-E1079 PolarHBondContact O-N 3.16Å; E1079-S1081 PolarHBondContact O-N 3.02Å; E1079-K1082 PolarHBondContact O-N 2.88Å; E1079-K1082 WeakPolarHBondContact OE1-CD 3.28Å; E1079-K1082 IonicContact OE1-NZ 2.72Å; E1079-K1082 PolarHBondContact OE1-NZ 3.36Å; E1079-K1082 IonicContact OE2-NZ 3.13Å; E1079-K1082 PolarHBondContact OE2-NZ 3.4Å
1080L73.7Confident74Confident126 Ų126145.1 Ų145.166%0.6667%0.673SS**G310 helixtrans-60.7-24.2177.1-85.7161.8000113.6L1078L1078-L1080 VanDerWaalsContact C-N 3.34Å; L1078-L1080 PolarHBondContact O-N 3.23Å
1081S72.2Confident73.3Confident85 Ų85142.6 Ų142.659%0.59467%0.674SS**G310 helixtrans-72.9-29.2-174.5-172.60000113.5L1078 E1079 Q1083L1078-S1081 PolarHBondContact O-N 3.02Å; E1079-S1081 PolarHBondContact O-N 3.02Å; S1081-Q1083 PolarHBondContact O-N 2.81Å
1082K78Confident72.7Confident125 Ų125150.2 Ų150.254%0.54369%0.69SS.*G310 helixtrans-65.1-37.4-173.9-69.1167173.91650113.1E1079 Q1084 Y1085E1079-K1082 PolarHBondContact O-N 2.88Å; E1079-K1082 WeakPolarHBondContact OE1-CD 3.28Å; E1079-K1082 IonicContact OE1-NZ 2.72Å; E1079-K1082 PolarHBondContact OE1-NZ 3.36Å; E1079-K1082 IonicContact OE2-NZ 3.13Å; E1079-K1082 PolarHBondContact OE2-NZ 3.4Å; K1082-Q1084 PolarHBondContact O-N 2.81Å; K1082-Y1085 PolarHBondContact O-N 3.4Å
1083Q72.5Confident72.2Confident154 Ų154151.8 Ų151.872%0.7269%0.689SS**G310 helixtrans-70.3-8.4-164.1-147.8174.126.800114.7S1081S1081-Q1083 PolarHBondContact O-N 2.81Å
1084Q69.6Low71.4Confident154 Ų154152.1 Ų152.172%0.7269%0.693SS**G310 helixtrans-81.6-27.4179.1-65.9-175.8-23.700113.2K1082 E1086K1082-Q1084 PolarHBondContact O-N 2.81Å; Q1084-E1086 PolarHBondContact O-N 3.2Å
1085Y70.1Confident70.9Confident192 Ų192152.8 Ų152.875%0.75369%0.691SS**G310 helixtrans-73.4-23.6-167.7-147.2-97.1000114.2K1082 N1087K1082-Y1085 PolarHBondContact O-N 3.4Å; Y1085-N1087 VanDerWaalsContact C-N 3.29Å; Y1085-N1087 PolarHBondContact O-N 2.78Å
1086E72Confident70Confident143 Ų143149.6 Ų149.667%0.66869%0.685SS**G310 helixtrans-62.1-30.8-177-123.474.6-123.800114Q1084Q1084-E1086 PolarHBondContact O-N 3.2Å
1087N69.8Low69.2Low126 Ų126147.4 Ų147.467%0.67469%0.687SS**G310 helixtrans-74.7-31.1-165.6-68-63.5000114.1Y1085 R1089Y1085-N1087 VanDerWaalsContact C-N 3.29Å; Y1085-N1087 PolarHBondContact O-N 2.78Å; N1087-R1089 VanDerWaalsContact C-N 3.25Å; N1087-R1089 PolarHBondContact O-N 2.74Å
1088E65.2Low68.4Low151 Ų151148.4 Ų148.471%0.70668%0.684SS**G310 helixtrans-68.7-24.7-171.9-169171-165.500112.9K1090E1088-K1090 PolarHBondContact O-N 3.16Å
1089R67.8Low67.5Low206 Ų206147 Ų14778%0.77769%0.685SS**G310 helixtrans-66.5-10.3-173.9-149.3171.3-172162.61.7114.5N1087N1087-R1089 VanDerWaalsContact C-N 3.25Å; N1087-R1089 PolarHBondContact O-N 2.74Å
1090K68.2Low66.6Low169 Ų169144.9 Ų144.974%0.73569%0.687SS**G310 helixtrans-82.7-25.5-170.6-148.8174.3-174.1-179.70114.4E1088 R1092E1088-K1090 PolarHBondContact O-N 3.16Å; K1090-R1092 PolarHBondContact O-N 2.73Å
1091A64Low66Low72 Ų72147 Ų14760%0.59569%0.693SS**G310 helixtrans-79-8.5-169.600000115.8R1093A1091-R1093 PolarHBondContact O-N 2.88Å
1092R59.6Low65.3Low219 Ų219150.3 Ų150.383%0.82670%0.701SS**G310 helixtrans-79.8-5.3-169.3-67-170.9-178.5-175.50.7116.1K1090K1090-R1092 PolarHBondContact O-N 2.73Å
1093R66.4Low64.4Low188 Ų188151.6 Ų151.671%0.70971%0.709SS**G310 helixtrans-86.4-18.6-172.3-58.9-177.5-166.1160.22.7114.5A1091 F1095A1091-R1093 PolarHBondContact O-N 2.88Å; R1093-F1095 PolarHBondContact O-N 3.23Å
1094E64.2Low64Low166 Ų166149 Ų14978%0.77671%0.708SS**THydrogen-bonded Turntrans-77.822.6-174.6-58.5174.2173.300113.4
1095F67.3Low63.6Low138 Ų138148.7 Ų148.761%0.60571%0.706SS**THydrogen-bonded Turntrans-109.2-32.4-175.7-171.6-95.1000113.2R1093 D1097R1093-F1095 PolarHBondContact O-N 3.23Å; F1095-D1097 PolarHBondContact O-N 3.42Å
1096E61.3Low63.2Low142 Ų142146 Ų14666%0.66470%0.704SS**G310 helixtrans-75.2-24.8-164.6-63.8173.2138.800113.5R1098 C1099E1096-R1098 PolarHBondContact O-N 2.74Å; E1096-C1099 PolarHBondContact O-N 3.26Å
1097D61.5Low62.8Low146 Ų146145.9 Ų145.978%0.78170%0.704SS**G310 helixtrans-59.6-15.2-179.9-64.1-45.4000114.6F1095 C1099F1095-D1097 PolarHBondContact O-N 3.42Å; D1097-C1099 VanDerWaalsContact C-N 3.31Å; D1097-C1099 PolarHBondContact O-N 2.99Å
1098R59.1Low62.3Low166 Ų166147 Ų14763%0.62671%0.705SS**G310 helixtrans-75.8-9.7-178.8-88.9175.6-84.4-169-15.4115.1E1096E1096-R1098 PolarHBondContact O-N 2.74Å
1099C55Low61.8Low104 Ų104143 Ų14370%0.70370%0.697SS**G310 helixtrans-76.4-19.7-175.4-71.20000114.9E1096 D1097 E1101E1096-C1099 PolarHBondContact O-N 3.26Å; D1097-C1099 VanDerWaalsContact C-N 3.31Å; D1097-C1099 PolarHBondContact O-N 2.99Å; C1099-E1101 PolarHBondContact O-N 3.46Å
1100A61.7Low61.4Low71 Ų71137.6 Ų137.659%0.58768%0.684SS**G310 helixtrans-74.5-18-171.700000115.2M1102A1100-M1102 VanDerWaalsContact C-N 3.3Å; A1100-M1102 PolarHBondContact O-N 2.9Å
1101E60.7Low61.1Low170 Ų170134.4 Ų134.479%0.79468%0.678SS**G310 helixtrans-72.4-22.3-173-165.6167.4-152.800113.2C1099 E1103C1099-E1101 PolarHBondContact O-N 3.46Å; E1101-E1103 PolarHBondContact O-N 3.22Å
1102M56.8Low60.9Low155 Ų155138.5 Ų138.576%0.76469%0.685SS**G310 helixtrans-78.2-19.7-171.8-168.91656100114.4A1100 S1104A1100-M1102 VanDerWaalsContact C-N 3.3Å; A1100-M1102 PolarHBondContact O-N 2.9Å; M1102-S1104 VanDerWaalsContact C-N 3.27Å; M1102-S1104 PolarHBondContact O-N 2.74Å
1103E60.5Low60.8Low151 Ų151132.9 Ų132.971%0.70667%0.669SS**G310 helixtrans-68.6-24.8-175.3-60.8-172.3132.100112.9E1101 H1105 L1106E1101-E1103 PolarHBondContact O-N 3.22Å; E1103-H1105 PolarHBondContact O-N 2.86Å; E1103-H1105 VanDerWaalsContact O-N 3.12Å; E1103-L1106 PolarHBondContact O-N 3.43Å
1104S64Low60.6Low99 Ų99131.6 Ų131.669%0.69267%0.669SS**G310 helixtrans-64.6-17.4-175.2-170.60000114.9M1102M1102-S1104 VanDerWaalsContact C-N 3.27Å; M1102-S1104 PolarHBondContact O-N 2.74Å
1105H61.5Low60.3Low148 Ų148129.3 Ų129.369%0.68566%0.662SS**G310 helixtrans-82.1-10.7-177.5-83.6-62.8000114.6E1103E1103-H1105 PolarHBondContact O-N 2.86Å; E1103-H1105 VanDerWaalsContact O-N 3.12Å
1106L60.2Low59.8Low136 Ų136129.7 Ų129.771%0.71267%0.667SS**G310 helixtrans-75.2-23.1-179.1-85161.9000113.9E1103E1103-L1106 PolarHBondContact O-N 3.43Å
1107E63.7Low59.7Low141 Ų141131.6 Ų131.666%0.65967%0.669SS**SBendtrans-74.1-35.3-171-161.161.7-152.900113.3A1109 N1110E1107-A1109 VanDerWaalsContact C-N 3.28Å; E1107-A1109 PolarHBondContact O-N 3.17Å; E1107-N1110 PolarHBondContact O-N 3.1Å
1108E58.9Low59.4Low150 Ų150132 Ų13270%0.70167%0.666SS**THydrogen-bonded Turntrans-61.5-32.9-177.7-86.2-172.4133.100113.4N1110 V1111E1108-N1110 PolarHBondContact O-N 2.97Å; E1108-V1111 PolarHBondContact O-N 3.16Å
1109A56.1Low59.3Low66 Ų66129 Ų12955%0.54567%0.666SS.*Hα-helixtrans-65.2-26-176.900000113.3E1107 V1111E1107-A1109 VanDerWaalsContact C-N 3.28Å; E1107-A1109 PolarHBondContact O-N 3.17Å; A1109-V1111 VanDerWaalsContact C-N 3.27Å; A1109-V1111 PolarHBondContact O-N 3.13Å
1110N59.1Low59.4Low92 Ų92129 Ų12949%0.49266%0.663SS.*Hα-helixtrans-68.4-22.1-177.3-87.8-41.7000113.8E1107 E1108 M1113E1107-N1110 PolarHBondContact O-N 3.1Å; E1108-N1110 PolarHBondContact O-N 2.97Å; N1110-M1113 WeakPolarHBondContact OD1-CE 3.35Å
1111V62.6Low59.3Low103 Ų103128.7 Ų128.762%0.62466%0.66SS**Hα-helixtrans-71-42.2-175.8-177.50000111.6E1108 A1109 M1113 K1114E1108-V1111 PolarHBondContact O-N 3.16Å; A1109-V1111 VanDerWaalsContact C-N 3.27Å; A1109-V1111 PolarHBondContact O-N 3.13Å; V1111-M1113 VanDerWaalsContact C-N 3.27Å; V1111-M1113 PolarHBondContact O-N 3.25Å; V1111-K1114 WeakPolarHBondContact O-CB 3.47Å; V1111-K1114 PolarHBondContact O-N 3.39Å; V1111-K1114 VanDerWaalsContact O-N 3.16Å
1112Q58.1Low59.2Low157 Ų157124.7 Ų124.773%0.73465%0.651SS**Hα-helixtrans-65.1-28.1-174.5-62.5-175.96.200113.4K1114Q1112-K1114 PolarHBondContact O-N 2.88Å; Q1112-K1114 VanDerWaalsContact O-N 3.13Å
1113M57.5Low59.3Low101 Ų101120.7 Ų120.750%0.49864%0.638SS.*Hα-helixtrans-64.5-13176.9-98.1-167.3-7300114.4N1110 V1111 R1117N1110-M1113 WeakPolarHBondContact OD1-CE 3.35Å; V1111-M1113 VanDerWaalsContact C-N 3.27Å; V1111-M1113 PolarHBondContact O-N 3.25Å; M1113-R1117 WeakPolarHBondContact O-CG 3.44Å; M1113-R1117 PolarHBondContact O-NE 3.39Å
1114K62.9Low59.3Low161 Ų161120.5 Ų120.570%0.763%0.632SS**Hα-helixtrans-86-45.1-171-148.9169.3-174.1175.20112.5V1111 Q1112 R1117V1111-K1114 WeakPolarHBondContact O-CB 3.47Å; V1111-K1114 PolarHBondContact O-N 3.39Å; V1111-K1114 VanDerWaalsContact O-N 3.16Å; Q1112-K1114 PolarHBondContact O-N 2.88Å; Q1112-K1114 VanDerWaalsContact O-N 3.13Å; K1114-R1117 PolarHBondContact O-N 3.17Å
1115D57.5Low59.2Low119 Ų119123.3 Ų123.364%0.63663%0.634SS**Hα-helixtrans-69.2-40.9-174.3-66.9-13000112.5R1117 Q1118D1115-R1117 PolarHBondContact O-N 2.91Å; D1115-R1117 VanDerWaalsContact O-N 3.1Å; D1115-Q1118 PolarHBondContact O-N 3.28Å
1116M56.8Low59.1Low145 Ų145119.8 Ų119.871%0.71463%0.626SS**Hα-helixtrans-56.7-28.7177.7-81.8176.455.300113.6Q1118M1116-Q1118 PolarHBondContact O-N 3.47Å
1117R60.1Low59.1Low183 Ų183119.4 Ų119.469%0.69162%0.621SS**Hα-helixtrans-70.5-22.1179.9-64.1179.6-174.3-162-0.5112.6M1113 K1114 D1115M1113-R1117 WeakPolarHBondContact O-CG 3.44Å; M1113-R1117 PolarHBondContact O-NE 3.39Å; K1114-R1117 PolarHBondContact O-N 3.17Å; D1115-R1117 PolarHBondContact O-N 2.91Å; D1115-R1117 VanDerWaalsContact O-N 3.1Å
1118Q55.5Low59.1Low155 Ų155117.8 Ų117.872%0.72461%0.613SS**Hα-helixtrans-83.5-29.9-177-165.9164.2-9.400112.6D1115 M1116D1115-Q1118 PolarHBondContact O-N 3.28Å; M1116-Q1118 PolarHBondContact O-N 3.47Å
1119T56.8Low59.1Low103 Ų103115.6 Ų115.663%0.63261%0.606SS**Hα-helixtrans-73.8-27.1179.4-29.80000113.4S1122T1119-S1122 PolarHBondContact O-OG 3.24Å
1120V56.8Low59.2Low104 Ų104118.5 Ų118.563%0.6361%0.612SS**Hα-helixtrans-73.3-35.3-178.3176.50000111.8S1122 S1123V1120-S1122 PolarHBondContact O-N 3.25Å; V1120-S1123 PolarHBondContact O-N 3.36Å
1121A59.9Low59.4Low64 Ų64120.6 Ų120.653%0.52962%0.617SS.*Hα-helixtrans-62.3-41.7-173.900000113.3S1123 Y1124A1121-S1123 PolarHBondContact O-N 2.75Å; A1121-Y1124 PolarHBondContact O-N 2.91Å
1122S57Low59.3Low86 Ų86122.2 Ų122.260%0.60162%0.617SS**Hα-helixtrans-76.9-18-176.7500000114.4T1119 V1120T1119-S1122 PolarHBondContact O-OG 3.24Å; V1120-S1122 PolarHBondContact O-N 3.25Å
1123S59.7Low59.3Low71 Ų71123.1 Ų123.150%0.49761%0.614SS.*Hα-helixtrans-71.4-40.9172.3-167.10000111.3V1120 A1121 E1125 S1126 E1127V1120-S1123 PolarHBondContact O-N 3.36Å; A1121-S1123 PolarHBondContact O-N 2.75Å; S1123-E1125 PolarHBondContact O-N 3.46Å; S1123-S1126 PolarHBondContact O-N 2.89Å; S1123-S1126 PolarHBondContact O-OG 2.83Å; S1123-E1127 PolarHBondContact O-N 2.71Å
1124Y61Low59.4Low146 Ų146123.7 Ų123.757%0.57362%0.618SS**Hα-helixtrans-65-40-167.4-171.8-104.6000114A1121 S1126 E1127 Q1128A1121-Y1124 PolarHBondContact O-N 2.91Å; Y1124-S1126 VanDerWaalsContact C-N 3.33Å; Y1124-S1126 PolarHBondContact O-N 3.49Å; Y1124-E1127 PolarHBondContact O-N 3.42Å; Y1124-Q1128 VanDerWaalsContact CZ-NE2 3.3Å; Y1124-Q1128 PolarHBondContact OH-NE2 2.87Å; Y1124-Q1128 VanDerWaalsContact OH-NE2 3.15Å
1125E60.8Low59.3Low158 Ų158120 Ų12074%0.73861%0.606SS**Hα-helixtrans-67.9-32.6-179.9-62.9-173141.700112.3S1123 E1127S1123-E1125 PolarHBondContact O-N 3.46Å; E1125-E1127 VanDerWaalsContact C-N 3.35Å
1126S59.5Low59.4Low74 Ų74117.7 Ų117.752%0.51760%0.597SS.*Hα-helixtrans-72.5-27.2179.175.80000113.6S1123 Y1124S1123-S1126 PolarHBondContact O-N 2.89Å; S1123-S1126 PolarHBondContact O-OG 2.83Å; Y1124-S1126 VanDerWaalsContact C-N 3.33Å; Y1124-S1126 PolarHBondContact O-N 3.49Å
1127E60.1Low59.4Low129 Ų129117.1 Ų117.160%0.60359%0.594SS**Hα-helixtrans-80.9-33.3-175.8-165.9174.9-172.100112.2S1123 Y1124 E1125 K1131S1123-E1127 PolarHBondContact O-N 2.71Å; Y1124-E1127 PolarHBondContact O-N 3.42Å; E1125-E1127 VanDerWaalsContact C-N 3.35Å; E1127-K1131 WeakPolarHBondContact O-CB 3.4Å; E1127-K1131 PolarHBondContact O-N 3.42Å; E1127-K1131 VanDerWaalsContact O-N 3.17Å
1128Q64.3Low59.5Low107 Ų107111.4 Ų111.450%0.558%0.579SS.*Hα-helixtrans-67.3-42.7-179.8-68.1-148.816.200113.7Y1124 L1130 K1131 H1132Y1124-Q1128 VanDerWaalsContact CZ-NE2 3.3Å; Y1124-Q1128 PolarHBondContact OH-NE2 2.87Å; Y1124-Q1128 VanDerWaalsContact OH-NE2 3.15Å; Q1128-L1130 VanDerWaalsContact C-N 3.35Å; Q1128-L1130 PolarHBondContact O-N 3.34Å; Q1128-K1131 PolarHBondContact O-N 3.07Å; Q1128-H1132 PolarHBondContact O-N 3.47Å
1129D58.9Low59.8Low103 Ų103107.6 Ų107.655%0.55157%0.567SS**Hα-helixtrans-67.3-35.9-177-168.663.3000112.2R1133D1129-R1133 WeakPolarHBondContact O-CG 3.33Å
1130L59.5Low59.9Low127 Ų127109.7 Ų109.767%0.66557%0.567SS**Hα-helixtrans-65.3-44.5172-79.4168.2000111.9Q1128 R1133 L1134Q1128-L1130 VanDerWaalsContact C-N 3.35Å; Q1128-L1130 PolarHBondContact O-N 3.34Å; L1130-R1133 PolarHBondContact O-N 2.99Å; L1130-L1134 PolarHBondContact O-N 2.97Å
1131K61.5Low60.2Low136 Ų136111.8 Ų111.859%0.59157%0.568SS**Hα-helixtrans-60.4-48.2179.8-171.4174-176174.20111.9E1127 Q1128 R1133 L1134 D1135E1127-K1131 WeakPolarHBondContact O-CB 3.4Å; E1127-K1131 PolarHBondContact O-N 3.42Å; E1127-K1131 VanDerWaalsContact O-N 3.17Å; Q1128-K1131 PolarHBondContact O-N 3.07Å; K1131-R1133 VanDerWaalsContact C-N 3.26Å; K1131-R1133 PolarHBondContact O-N 3.32Å; K1131-L1134 WeakPolarHBondContact O-CB 3.41Å; K1131-L1134 PolarHBondContact O-N 3.07Å; K1131-D1135 PolarHBondContact O-N 3.43Å; K1131-D1135 VanDerWaalsContact O-N 3.15Å
1132H61.4Low60.1Low138 Ų138114 Ų11464%0.63957%0.567SS**Hα-helixtrans-63.4-32.4-175.6-156-13.1000113Q1128 T1136Q1128-H1132 PolarHBondContact O-N 3.47Å; H1132-T1136 PolarHBondContact O-OG1 2.99Å
1133R57Low60.2Low175 Ų175117.4 Ų117.466%0.6657%0.571SS**Hα-helixtrans-75.4-30.5175.7-66.9173.270.9170.21.3112.8D1129 L1130 K1131D1129-R1133 WeakPolarHBondContact O-CG 3.33Å; L1130-R1133 PolarHBondContact O-N 2.99Å; K1131-R1133 VanDerWaalsContact C-N 3.26Å; K1131-R1133 PolarHBondContact O-N 3.32Å
1134L60.4Low60.1Low113 Ų113123.9 Ų123.959%0.59259%0.585SS**Hα-helixtrans-70.5-50.2177.7-171.265.6000111.8L1130 K1131 T1136 M1137 T1138L1130-L1134 PolarHBondContact O-N 2.97Å; K1131-L1134 WeakPolarHBondContact O-CB 3.41Å; K1131-L1134 PolarHBondContact O-N 3.07Å; L1134-T1136 PolarHBondContact O-N 2.86Å; L1134-M1137 PolarHBondContact O-N 3.32Å; L1134-T1138 PolarHBondContact O-N 3.35Å; L1134-T1138 VanDerWaalsContact O-N 3.08Å; L1134-T1138 PolarHBondContact O-OG1 3.01Å
1135D61.8Low60.1Low83 Ų83122.7 Ų122.744%0.44459%0.586SS.*Hα-helixtrans-58.8-36.1-177.8-66.3-27.2000112.5K1131 M1137 T1138 T1139K1131-D1135 PolarHBondContact O-N 3.43Å; K1131-D1135 VanDerWaalsContact O-N 3.15Å; D1135-M1137 VanDerWaalsContact C-N 3.28Å; D1135-M1137 PolarHBondContact O-N 2.96Å; D1135-T1138 PolarHBondContact O-N 3.1Å; D1135-T1139 WeakPolarHBondContact O-CG2 3.33Å; D1135-T1139 PolarHBondContact O-N 3.35Å; D1135-T1139 PolarHBondContact O-OG1 2.94Å
1136T59.1Low60Low72 Ų72119 Ų11944%0.44257%0.574SS.*Hα-helixtrans-67.2-24.8178.2-54.70000113.3H1132 L1134H1132-T1136 PolarHBondContact O-OG1 2.99Å; L1134-T1136 PolarHBondContact O-N 2.86Å
1137M57.3Low59.9Low133 Ų133119.3 Ų119.366%0.65557%0.573SS**Hα-helixtrans-90.4-39.7176.2-76.7-65.6-68.400112.3L1134 D1135 K1140 K1141L1134-M1137 PolarHBondContact O-N 3.32Å; D1135-M1137 VanDerWaalsContact C-N 3.28Å; D1135-M1137 PolarHBondContact O-N 2.96Å; M1137-K1140 PolarHBondContact O-N 2.72Å; M1137-K1141 PolarHBondContact O-N 3.05Å
1138T62.3Low59.7Low62 Ų62117.3 Ų117.338%0.3857%0.572SS.*Hα-helixtrans-60.9-48.5-179.6-550000111.5L1134 D1135 K1140 K1141 E1142L1134-T1138 PolarHBondContact O-N 3.35Å; L1134-T1138 VanDerWaalsContact O-N 3.08Å; L1134-T1138 PolarHBondContact O-OG1 3.01Å; D1135-T1138 PolarHBondContact O-N 3.1Å; T1138-K1140 PolarHBondContact O-N 2.74Å; T1138-K1140 VanDerWaalsContact O-N 3.16Å; T1138-K1141 WeakPolarHBondContact O-CB 3.22Å; T1138-K1141 PolarHBondContact O-N 3.41Å; T1138-E1142 PolarHBondContact O-N 3.43Å; T1138-E1142 VanDerWaalsContact O-N 3.17Å
1139T60.7Low59.6Low76 Ų76115.6 Ų115.647%0.46657%0.569SS.*Hα-helixtrans-61.5-24.8-179.4480000114.6D1135D1135-T1139 WeakPolarHBondContact O-CG2 3.33Å; D1135-T1139 PolarHBondContact O-N 3.35Å; D1135-T1139 PolarHBondContact O-OG1 2.94Å
1140K60Low59.8Low146 Ų146116.7 Ų116.764%0.63557%0.571SS**Hα-helixtrans-77.7-33.5172.8-75.9-179.8177.9173.70112.7M1137 T1138M1137-K1140 PolarHBondContact O-N 2.72Å; T1138-K1140 PolarHBondContact O-N 2.74Å; T1138-K1140 VanDerWaalsContact O-N 3.16Å
1141K61.2Low59.7Low149 Ų149117.7 Ų117.765%0.64857%0.574SS**Hα-helixtrans-71.6-41.5179.7-176.1-177.5176-174.10111.9M1137 T1138 W1144 M1145M1137-K1141 PolarHBondContact O-N 3.05Å; T1138-K1141 WeakPolarHBondContact O-CB 3.22Å; T1138-K1141 PolarHBondContact O-N 3.41Å; K1141-W1144 PolarHBondContact O-N 3.12Å; K1141-M1145 PolarHBondContact O-N 3.37Å
1142E59.3Low60Low110 Ų110119.2 Ų119.251%0.51458%0.581SS.*Hα-helixtrans-64.4-44.2-176.7-69.4178.7118.800112.8T1138 W1144 M1145 T1146T1138-E1142 PolarHBondContact O-N 3.43Å; T1138-E1142 VanDerWaalsContact O-N 3.17Å; E1142-W1144 PolarHBondContact O-N 2.75Å; E1142-W1144 VanDerWaalsContact O-N 3.1Å; E1142-M1145 PolarHBondContact O-N 2.74Å; E1142-T1146 PolarHBondContact O-N 3.28Å; E1142-T1146 PolarHBondContact O-OG1 3.36Å
1143K58.1Low60.1Low157 Ų157120.5 Ų120.568%0.68358%0.58SS**Hα-helixtrans-58.8-23.9178.8-71.5-176.3176.2-176.80114.2T1146 T1147K1143-T1146 PolarHBondContact O-OG1 3.1Å; K1143-T1147 PolarHBondContact O-OG1 3.48Å
1144W57Low60.6Low207 Ų207117.1 Ų117.178%0.78458%0.575SS**Hα-helixtrans-82.4-38.4173.4-95.163.7000112.8K1141 E1142 C1148K1141-W1144 PolarHBondContact O-N 3.12Å; E1142-W1144 PolarHBondContact O-N 2.75Å; E1142-W1144 VanDerWaalsContact O-N 3.1Å; W1144-C1148 PolarHBondContact O-N 2.65Å
1145M61.1Low60.7Low121 Ų121120 Ų12060%0.59658%0.583SS**Hα-helixtrans-74.9-31.2179.2-67-144.1-55.200113.6K1141 E1142 T1149K1141-M1145 PolarHBondContact O-N 3.37Å; E1142-M1145 PolarHBondContact O-N 2.74Å; M1145-T1149 VanDerWaalsContact O-CG2 3.32Å; M1145-T1149 WeakPolarHBondContact O-CG2 3.19Å; M1145-T1149 PolarHBondContact O-N 2.87Å; M1145-T1149 VanDerWaalsContact O-N 3.16Å; M1145-T1149 PolarHBondContact O-OG1 2.9Å
1146T59.4Low60.9Low80 Ų80121 Ų12149%0.49159%0.589SS.*Hα-helixtrans-59-55.4173.748.80000110.7E1142 K1143 C1148 T1149 E1150E1142-T1146 PolarHBondContact O-N 3.28Å; E1142-T1146 PolarHBondContact O-OG1 3.36Å; K1143-T1146 PolarHBondContact O-OG1 3.1Å; T1146-C1148 VanDerWaalsContact C-N 3.33Å; T1146-C1148 PolarHBondContact O-N 3.02Å; T1146-T1149 PolarHBondContact O-N 3.05Å; T1146-T1149 PolarHBondContact O-OG1 2.95Å; T1146-T1149 VanDerWaalsContact O-OG1 3.1Å; T1146-E1150 PolarHBondContact O-N 3.35Å; T1146-E1150 VanDerWaalsContact O-N 3.13Å
1147T57.6Low61.2Low81 Ų81119.1 Ų119.150%0.49758%0.581SS.*Hα-helixtrans-54.8-44.2-177.2-47.70000112.6K1143K1143-T1147 PolarHBondContact O-OG1 3.48Å
1148C56Low61.3Low87 Ų87118.4 Ų118.459%0.58858%0.579SS**Hα-helixtrans-74.7-25179.5-69.10000114.4W1144 T1146W1144-C1148 PolarHBondContact O-N 2.65Å; T1146-C1148 VanDerWaalsContact C-N 3.33Å; T1146-C1148 PolarHBondContact O-N 3.02Å
1149T62.6Low61.6Low71 Ų71120.8 Ų120.844%0.43659%0.585SS.*Hα-helixtrans-87.9-10.4177.859.20000113.5M1145 T1146 R1153M1145-T1149 VanDerWaalsContact O-CG2 3.32Å; M1145-T1149 WeakPolarHBondContact O-CG2 3.19Å; M1145-T1149 PolarHBondContact O-N 2.87Å; M1145-T1149 VanDerWaalsContact O-N 3.16Å; M1145-T1149 PolarHBondContact O-OG1 2.9Å; T1146-T1149 PolarHBondContact O-N 3.05Å; T1146-T1149 PolarHBondContact O-OG1 2.95Å; T1146-T1149 VanDerWaalsContact O-OG1 3.1Å; T1149-R1153 WeakPolarHBondContact O-CG 3.41Å; T1149-R1153 PolarHBondContact O-NH1 3.27Å; T1149-R1153 PolarHBondContact OG1-NH1 3.04Å
1150E61.2Low62Low127 Ų127123.8 Ų123.859%0.59359%0.594SS**Hα-helixtrans-78.7-52.3176.1-164.6159.7-131.600111.3T1146 K1152 R1153 N1154T1146-E1150 PolarHBondContact O-N 3.35Å; T1146-E1150 VanDerWaalsContact O-N 3.13Å; E1150-K1152 PolarHBondContact O-N 3.25Å; E1150-K1152 VanDerWaalsContact O-N 3.17Å; E1150-R1153 PolarHBondContact O-N 3.14Å; E1150-N1154 PolarHBondContact O-N 3.37Å
1151M59Low62.4Low147 Ų147120.4 Ų120.472%0.72458%0.581SS**Hα-helixtrans-54.4-38.9176.5-69.4-172.5175.100113R1153 N1154M1151-R1153 VanDerWaalsContact C-N 3.31Å; M1151-R1153 PolarHBondContact O-N 3.47Å; M1151-N1154 PolarHBondContact O-N 3.07Å
1152K66.2Low62.8Low168 Ų168118.2 Ų118.273%0.7357%0.571SS**Hα-helixtrans-74.2-18-177.5-150.1172.2-173.41780113.7E1150E1150-K1152 PolarHBondContact O-N 3.25Å; E1150-K1152 VanDerWaalsContact O-N 3.17Å
1153R63.7Low63.4Low165 Ų165117.1 Ų117.162%0.62357%0.569SS**Hα-helixtrans-77.3-43.7171.1-75.8178.5176.295.4-10.9111.6T1149 E1150 M1151 F1155 N1156 A1157T1149-R1153 WeakPolarHBondContact O-CG 3.41Å; T1149-R1153 PolarHBondContact O-NH1 3.27Å; T1149-R1153 PolarHBondContact OG1-NH1 3.04Å; E1150-R1153 PolarHBondContact O-N 3.14Å; M1151-R1153 VanDerWaalsContact C-N 3.31Å; M1151-R1153 PolarHBondContact O-N 3.47Å; R1153-F1155 VanDerWaalsContact C-N 3.29Å; R1153-F1155 PolarHBondContact O-N 2.87Å; R1153-N1156 PolarHBondContact O-N 3.49Å; R1153-N1156 VanDerWaalsContact O-N 3.13Å; R1153-A1157 PolarHBondContact O-N 3.47Å
1154N67.4Low64Low105 Ų105112.6 Ų112.656%0.56155%0.548SS*.Hα-helixtrans-59.5-37.8-174.9-66.9-9.2000112.8E1150 M1151 A1157E1150-N1154 PolarHBondContact O-N 3.37Å; M1151-N1154 PolarHBondContact O-N 3.07Å; N1154-A1157 PolarHBondContact O-N 2.92Å
1155F63.4Low64.6Low172 Ų172107.4 Ų107.475%0.75454%0.535SS*.Hα-helixtrans-69.1-36.3178.3-151.5-84.9000113.1R1153R1153-F1155 VanDerWaalsContact C-N 3.29Å; R1153-F1155 PolarHBondContact O-N 2.87Å
1156N66.6Low65.1Low105 Ų105106.6 Ų106.656%0.56153%0.53SS*.Hα-helixtrans-72.4-32.1175.7-83-2.4000112.5R1153 L1158 Q1159 Q1160R1153-N1156 PolarHBondContact O-N 3.49Å; R1153-N1156 VanDerWaalsContact O-N 3.13Å; N1156-L1158 PolarHBondContact O-N 2.77Å; N1156-Q1159 PolarHBondContact O-N 3.37Å; N1156-Q1160 WeakPolarHBondContact O-CG 3.44Å; N1156-Q1160 PolarHBondContact O-N 3.05Å; N1156-Q1160 VanDerWaalsContact O-N 3.1Å
1157A64.9Low65.7Low33 Ų33105.8 Ų105.827%0.27353%0.527SS..Hα-helixtrans-60.7-44.2179.800000112.2R1153 N1154 Q1159 Q1160 E1161R1153-A1157 PolarHBondContact O-N 3.47Å; N1154-A1157 PolarHBondContact O-N 2.92Å; A1157-Q1159 VanDerWaalsContact C-N 3.33Å; A1157-Q1159 PolarHBondContact O-N 3.48Å; A1157-Q1160 PolarHBondContact O-N 3.39Å; A1157-E1161 PolarHBondContact O-N 2.91Å
1158L59Low66.5Low118 Ų118104.7 Ų104.762%0.61852%0.516SS*.Hα-helixtrans-60.2-40178-71.8167.5000112.8N1156 E1161 K1162N1156-L1158 PolarHBondContact O-N 2.77Å; L1158-E1161 PolarHBondContact O-N 3.32Å; L1158-K1162 PolarHBondContact O-N 2.97Å
1159Q68.7Low67.1Low111 Ų111105.5 Ų105.552%0.51951%0.514SS..Hα-helixtrans-71.5-32.8177.7-170.760.559.100112.3N1156 A1157 N1163N1156-Q1159 PolarHBondContact O-N 3.37Å; A1157-Q1159 VanDerWaalsContact C-N 3.33Å; A1157-Q1159 PolarHBondContact O-N 3.48Å; Q1159-N1163 PolarHBondContact NE2-OD1 3.12Å; Q1159-N1163 PolarHBondContact O-N 3.4Å; Q1159-N1163 PolarHBondContact O-OD1 3.39Å
1160Q70.3Confident67.7Low140 Ų140110.7 Ų110.765%0.65453%0.525SS*.Hα-helixtrans-69.6-38.1172.7-72.9-178.9-20.500112N1156 A1157 N1163 Y1164N1156-Q1160 WeakPolarHBondContact O-CG 3.44Å; N1156-Q1160 PolarHBondContact O-N 3.05Å; N1156-Q1160 VanDerWaalsContact O-N 3.1Å; A1157-Q1160 PolarHBondContact O-N 3.39Å; Q1160-N1163 PolarHBondContact O-N 3.46Å; Q1160-Y1164 WeakPolarHBondContact O-CB 3.44Å; Q1160-Y1164 PolarHBondContact O-N 2.87Å
1161E68.6Low68.3Low74 Ų74107.2 Ų107.235%0.34651%0.508SS..Hα-helixtrans-64.4-42.5178.3-173.3163.5-143.900112.1A1157 L1158 N1163 Y1164 L1165A1157-E1161 PolarHBondContact O-N 2.91Å; L1158-E1161 PolarHBondContact O-N 3.32Å; E1161-N1163 PolarHBondContact O-N 3.37Å; E1161-Y1164 PolarHBondContact O-N 3.49Å; E1161-L1165 HydrophobicContact CG-CD1 4.34Å; E1161-L1165 WeakPolarHBondContact O-CG 3.44Å; E1161-L1165 PolarHBondContact O-N 2.94Å
1162K68.1Low68.8Low103 Ų103104.6 Ų104.645%0.44849%0.494SS..Hα-helixtrans-55.1-54.2171.9-175.6-172.5178.7-82.10111.5L1158 Y1164 L1165 E1166L1158-K1162 PolarHBondContact O-N 2.97Å; K1162-Y1164 VanDerWaalsContact C-N 3.25Å; K1162-Y1164 PolarHBondContact O-N 3.25Å; K1162-L1165 PolarHBondContact O-N 3.21Å; K1162-E1166 WeakPolarHBondContact CE-OE1 3.36Å; K1162-E1166 IonicContact NZ-OE1 2.62Å; K1162-E1166 PolarHBondContact NZ-OE1 3Å; K1162-E1166 IonicContact NZ-OE2 2.88Å; K1162-E1166 PolarHBondContact NZ-OE2 3.31Å; K1162-E1166 PolarHBondContact O-N 2.92Å; K1162-E1166 VanDerWaalsContact O-N 3.12Å
1163N71.5Confident69.1Low87 Ų87102.1 Ų102.147%0.46549%0.485SS..Hα-helixtrans-64.6-32.2-176.7-66.414.2000111.7Q1159 Q1160 E1161 S1167Q1159-N1163 PolarHBondContact NE2-OD1 3.12Å; Q1159-N1163 PolarHBondContact O-N 3.4Å; Q1159-N1163 PolarHBondContact O-OD1 3.39Å; Q1160-N1163 PolarHBondContact O-N 3.46Å; E1161-N1163 PolarHBondContact O-N 3.37Å; N1163-S1167 WeakPolarHBondContact O-CB 3.44Å; N1163-S1167 PolarHBondContact O-N 3.42Å; N1163-S1167 VanDerWaalsContact O-N 3.11Å
1164Y72Confident69.6Low63 Ų6399.7 Ų99.725%0.24749%0.485CS..Hα-helixtrans-66.4-44.9173.1169.5-109.4000112.3L481 Q1160 E1161 K1162 S1167 K1168L481-Y1164 HydrophobicContact CD1-CD1 3.53Å; L481-Y1164 HydrophobicContact CD1-CD2 3.94Å; L481-Y1164 HydrophobicContact CD1-CE1 3.96Å; L481-Y1164 HydrophobicContact CD1-CE2 4.36Å; L481-Y1164 HydrophobicContact CD1-CG 3.49Å; L481-Y1164 VanDerWaalsContact CD1-CG 3.49Å; L481-Y1164 HydrophobicContact CD2-CD1 4.24Å; L481-Y1164 HydrophobicContact CD2-CD2 3.6Å; L481-Y1164 HydrophobicContact CD2-CE1 4Å; L481-Y1164 HydrophobicContact CD2-CE2 3.34Å; L481-Y1164 HydrophobicContact CD2-CG 4.03Å; L481-Y1164 HydrophobicContact CG-CD1 4.47Å; L481-Y1164 HydrophobicContact CG-CD2 4.44Å; L481-Y1164 HydrophobicContact CG-CE1 4.47Å; L481-Y1164 HydrophobicContact CG-CE2 4.48Å; L481-Y1164 HydrophobicContact CG-CG 4.42Å; Q1160-Y1164 WeakPolarHBondContact O-CB 3.44Å; Q1160-Y1164 PolarHBondContact O-N 2.87Å; E1161-Y1164 PolarHBondContact O-N 3.49Å; K1162-Y1164 VanDerWaalsContact C-N 3.25Å; K1162-Y1164 PolarHBondContact O-N 3.25Å; Y1164-S1167 CarbonylContact O-C 3.52Å; Y1164-S1167 PolarHBondContact O-N 3.47Å; Y1164-K1168 HydrophobicContact CE1-CD 4.04Å; Y1164-K1168 HydrophobicContact CE2-CB 4.43Å; Y1164-K1168 VanDerWaalsContact O-CB 3.32Å; Y1164-K1168 WeakPolarHBondContact O-CB 3.17Å; Y1164-K1168 PolarHBondContact O-N 3.4Å
1165L68.6Low69.9Low98 Ų9899.2 Ų99.251%0.51348%0.479SS..Hα-helixtrans-64.6-41.1-179.8-69.4171.8000111.7E1161 K1162 S1167 K1168 L1169E1161-L1165 HydrophobicContact CG-CD1 4.34Å; E1161-L1165 WeakPolarHBondContact O-CG 3.44Å; E1161-L1165 PolarHBondContact O-N 2.94Å; K1162-L1165 PolarHBondContact O-N 3.21Å; L1165-S1167 VanDerWaalsContact C-N 3.33Å; L1165-S1167 PolarHBondContact O-N 2.73Å; L1165-K1168 PolarHBondContact O-N 2.85Å; L1165-K1168 VanDerWaalsContact O-N 3.16Å; L1165-L1169 PolarHBondContact O-N 2.97Å
1166E72Confident70.2Confident103 Ų10398.8 Ų98.848%0.48147%0.473SS..Hα-helixtrans-63-37.2173.1-69.6176.4156.200112.1K1162K1162-E1166 WeakPolarHBondContact CE-OE1 3.36Å; K1162-E1166 IonicContact NZ-OE1 2.62Å; K1162-E1166 PolarHBondContact NZ-OE1 3Å; K1162-E1166 IonicContact NZ-OE2 2.88Å; K1162-E1166 PolarHBondContact NZ-OE2 3.31Å; K1162-E1166 PolarHBondContact O-N 2.92Å; K1162-E1166 VanDerWaalsContact O-N 3.12Å
1167S72.3Confident70.6Confident63 Ų6396.7 Ų96.744%0.44147%0.471SS..Hα-helixtrans-73.7-26.3173-179.30000113.7N1163 Y1164 L1165 K1171N1163-S1167 WeakPolarHBondContact O-CB 3.44Å; N1163-S1167 PolarHBondContact O-N 3.42Å; N1163-S1167 VanDerWaalsContact O-N 3.11Å; Y1164-S1167 CarbonylContact O-C 3.52Å; Y1164-S1167 PolarHBondContact O-N 3.47Å; L1165-S1167 VanDerWaalsContact C-N 3.33Å; L1165-S1167 PolarHBondContact O-N 2.73Å; S1167-K1171 WeakPolarHBondContact O-CG 3.12Å
1168K74.1Confident71Confident59 Ų5997.8 Ų97.826%0.25748%0.477SS..Hα-helixtrans-78.6-40.5-179.7-176.7178.8176.8-75.60111Y1164 L1165 R1170 K1171 E1172Y1164-K1168 HydrophobicContact CE1-CD 4.04Å; Y1164-K1168 HydrophobicContact CE2-CB 4.43Å; Y1164-K1168 VanDerWaalsContact O-CB 3.32Å; Y1164-K1168 WeakPolarHBondContact O-CB 3.17Å; Y1164-K1168 PolarHBondContact O-N 3.4Å; L1165-K1168 PolarHBondContact O-N 2.85Å; L1165-K1168 VanDerWaalsContact O-N 3.16Å; K1168-R1170 PolarHBondContact O-N 3.08Å; K1168-K1171 PolarHBondContact O-N 2.84Å; K1168-K1171 VanDerWaalsContact O-N 3.14Å; K1168-E1172 IonicContact NZ-OE1 3.73Å; K1168-E1172 PolarHBondContact NZ-OE1 2.83Å; K1168-E1172 IonicContact NZ-OE2 3.92Å; K1168-E1172 PolarHBondContact NZ-OE2 3.49Å; K1168-E1172 PolarHBondContact O-N 2.8Å
1169L68.7Low71.7Confident103 Ų10397 Ų9754%0.53947%0.472SS..Hα-helixtrans-56.5-49.9177-177.463.6000111.2L1165 K1171 E1172 E1173L1165-L1169 PolarHBondContact O-N 2.97Å; L1169-K1171 VanDerWaalsContact C-N 3.28Å; L1169-K1171 PolarHBondContact O-N 3.34Å; L1169-E1172 PolarHBondContact O-N 3.25Å; L1169-E1173 WeakPolarHBondContact O-CG 3.42Å; L1169-E1173 PolarHBondContact O-N 2.99Å
1170R74.4Confident72Confident180 Ų18096 Ų9668%0.67947%0.47SS*.Hα-helixtrans-59.3-37.1176.6-70.6-175.2-179.7170.81.5113.3K1168 E1173 D1174K1168-R1170 PolarHBondContact O-N 3.08Å; R1170-E1173 WeakPolarHBondContact CA-OE2 3.14Å; R1170-E1173 WeakPolarHBondContact O-CB 3.13Å; R1170-E1173 PolarHBondContact O-N 3.4Å; R1170-D1174 WeakPolarHBondContact O-CB 3.12Å; R1170-D1174 VanDerWaalsContact O-CG 3.25Å; R1170-D1174 PolarHBondContact O-N 3.27Å
1171K74.4Confident72.2Confident55 Ų5593 Ų9324%0.23946%0.464CS..Hα-helixtrans-67.2-37175.1-74.6-170.6174.4-144.90112.7S1167 K1168 L1169 E1173 D1174 E1175S1167-K1171 WeakPolarHBondContact O-CG 3.12Å; K1168-K1171 PolarHBondContact O-N 2.84Å; K1168-K1171 VanDerWaalsContact O-N 3.14Å; L1169-K1171 VanDerWaalsContact C-N 3.28Å; L1169-K1171 PolarHBondContact O-N 3.34Å; K1171-E1173 VanDerWaalsContact C-N 3.33Å; K1171-D1174 PolarHBondContact O-N 3.48Å; K1171-E1175 WeakPolarHBondContact O-CB 3.37Å; K1171-E1175 WeakPolarHBondContact O-CG 3.43Å; K1171-E1175 PolarHBondContact O-N 2.79Å
1172E69.1Low72.3Confident92 Ų9294.3 Ų94.343%0.4347%0.47SS..Hα-helixtrans-71.5-29.3174.7-72.6174.2141.100111.8K1168 L1169 Y1176K1168-E1172 IonicContact NZ-OE1 3.73Å; K1168-E1172 PolarHBondContact NZ-OE1 2.83Å; K1168-E1172 IonicContact NZ-OE2 3.92Å; K1168-E1172 PolarHBondContact NZ-OE2 3.49Å; K1168-E1172 PolarHBondContact O-N 2.8Å; L1169-E1172 PolarHBondContact O-N 3.25Å; E1172-Y1176 VanDerWaalsContact O-CB 3.23Å; E1172-Y1176 WeakPolarHBondContact O-CB 3.17Å; E1172-Y1176 PolarHBondContact O-N 2.89Å
1173E72.7Confident72.5Confident115 Ų11595.3 Ų95.354%0.53748%0.48SS..Hα-helixtrans-67.6-46169.1-66.6171.214200111.8L1169 R1170 K1171 Y1176 A1177L1169-E1173 WeakPolarHBondContact O-CG 3.42Å; L1169-E1173 PolarHBondContact O-N 2.99Å; R1170-E1173 WeakPolarHBondContact CA-OE2 3.14Å; R1170-E1173 WeakPolarHBondContact O-CB 3.13Å; R1170-E1173 PolarHBondContact O-N 3.4Å; K1171-E1173 VanDerWaalsContact C-N 3.33Å; E1173-Y1176 PolarHBondContact O-N 3.01Å; E1173-A1177 PolarHBondContact O-N 3.39Å; E1173-A1177 VanDerWaalsContact O-N 3.14Å
1174D75.6Confident72.7Confident115 Ų11598.3 Ų98.362%0.61549%0.491SS*.Hα-helixtrans-65.2-44.3176.2-68.5-34.5000112R1170 K1171 A1177 S1178R1170-D1174 WeakPolarHBondContact O-CB 3.12Å; R1170-D1174 VanDerWaalsContact O-CG 3.25Å; R1170-D1174 PolarHBondContact O-N 3.27Å; K1171-D1174 PolarHBondContact O-N 3.48Å; D1174-A1177 PolarHBondContact O-N 2.79Å; D1174-S1178 PolarHBondContact O-N 3.29Å
1175E73.1Confident72.8Confident95 Ų95100.8 Ų100.844%0.44451%0.505SS..Hα-helixtrans-62.1-42.2176.3-77.1169.6-162.500111K1171 A1177 S1178 I1179K1171-E1175 WeakPolarHBondContact O-CB 3.37Å; K1171-E1175 WeakPolarHBondContact O-CG 3.43Å; K1171-E1175 PolarHBondContact O-N 2.79Å; E1175-A1177 VanDerWaalsContact C-N 3.33Å; E1175-A1177 PolarHBondContact O-N 3.28Å; E1175-S1178 PolarHBondContact O-N 3.14Å; E1175-I1179 VanDerWaalsContact O-CG1 3.3Å; E1175-I1179 WeakPolarHBondContact O-CG1 3.37Å; E1175-I1179 PolarHBondContact O-N 2.66Å
1176Y70Confident72.7Confident162 Ų16298.9 Ų98.964%0.63550%0.503SS*.Hα-helixtrans-64.1-36.9176.9-169.6-96.3000112.3E1172 E1173 L1180E1172-Y1176 VanDerWaalsContact O-CB 3.23Å; E1172-Y1176 WeakPolarHBondContact O-CB 3.17Å; E1172-Y1176 PolarHBondContact O-N 2.89Å; E1173-Y1176 PolarHBondContact O-N 3.01Å; Y1176-L1180 HydrophobicContact CD1-CD1 4.05Å; Y1176-L1180 HydrophobicContact CE1-CD1 3.61Å; Y1176-L1180 PolarHBondContact O-N 2.96Å; Y1176-L1180 VanDerWaalsContact O-N 3.17Å
1177A74.5Confident73Confident61 Ų61100.5 Ų100.550%0.50451%0.509SS..Hα-helixtrans-66.7-39.6173.300000112.5E1173 D1174 E1175 L1180 S1181E1173-A1177 PolarHBondContact O-N 3.39Å; E1173-A1177 VanDerWaalsContact O-N 3.14Å; D1174-A1177 PolarHBondContact O-N 2.79Å; E1175-A1177 VanDerWaalsContact C-N 3.33Å; E1175-A1177 PolarHBondContact O-N 3.28Å; A1177-L1180 PolarHBondContact O-N 3.17Å; A1177-S1181 PolarHBondContact O-N 3.34Å
1178S74.2Confident73.1Confident57 Ų57100.1 Ų100.140%0.39951%0.506SS..Hα-helixtrans-61.9-49.3174.7-163.50000111.7D1174 E1175 L1180 S1181 E1182D1174-S1178 PolarHBondContact O-N 3.29Å; E1175-S1178 PolarHBondContact O-N 3.14Å; S1178-L1180 VanDerWaalsContact C-N 3.29Å; S1178-L1180 PolarHBondContact O-N 2.78Å; S1178-S1181 WeakPolarHBondContact O-CB 3.32Å; S1178-S1181 PolarHBondContact O-N 2.9Å; S1178-E1182 PolarHBondContact O-N 3.43Å; S1178-E1182 PolarHBondContact OG-OE1 2.85Å
1179I72Confident73.1Confident102 Ų102103.6 Ų103.652%0.52352%0.518SS..Hα-helixtrans-59.9-38.5-179.2-68.5164000111.4E1175 E1182 L1183E1175-I1179 VanDerWaalsContact O-CG1 3.3Å; E1175-I1179 WeakPolarHBondContact O-CG1 3.37Å; E1175-I1179 PolarHBondContact O-N 2.66Å; I1179-E1182 PolarHBondContact O-N 3.01Å; I1179-L1183 WeakPolarHBondContact O-CB 3.34Å; I1179-L1183 PolarHBondContact O-N 3.36Å
1180L75.1Confident73.2Confident89 Ų89104.4 Ų104.447%0.46652%0.519SS..Hα-helixtrans-63.6-39.5175.3-106.1162.2000112.7Y1176 A1177 S1178 Q1184Y1176-L1180 HydrophobicContact CD1-CD1 4.05Å; Y1176-L1180 HydrophobicContact CE1-CD1 3.61Å; Y1176-L1180 PolarHBondContact O-N 2.96Å; Y1176-L1180 VanDerWaalsContact O-N 3.17Å; A1177-L1180 PolarHBondContact O-N 3.17Å; S1178-L1180 VanDerWaalsContact C-N 3.29Å; S1178-L1180 PolarHBondContact O-N 2.78Å; L1180-Q1184 WeakPolarHBondContact O-CB 3.15Å; L1180-Q1184 PolarHBondContact O-N 3.15Å
1181S75.3Confident73.2Confident78 Ų78102.1 Ų102.155%0.54552%0.516SS..Hα-helixtrans-66.5-47.4175.6-167.30000111.6A1177 S1178 L1183 Q1184 Q1185A1177-S1181 PolarHBondContact O-N 3.34Å; S1178-S1181 WeakPolarHBondContact O-CB 3.32Å; S1178-S1181 PolarHBondContact O-N 2.9Å; S1181-L1183 PolarHBondContact O-N 2.76Å; S1181-Q1184 PolarHBondContact O-N 2.82Å; S1181-Q1185 PolarHBondContact O-N 3.28Å
1182E70.3Confident73.3Confident101 Ų101105.7 Ų105.747%0.47253%0.533SS..Hα-helixtrans-59.2-44.6177.3-72.7170-139.300112S1178 I1179 Q1184 Q1185 A1186S1178-E1182 PolarHBondContact O-N 3.43Å; S1178-E1182 PolarHBondContact OG-OE1 2.85Å; I1179-E1182 PolarHBondContact O-N 3.01Å; E1182-Q1184 VanDerWaalsContact C-N 3.3Å; E1182-Q1184 PolarHBondContact O-N 3.19Å; E1182-Q1185 PolarHBondContact O-N 3.42Å; E1182-A1186 WeakPolarHBondContact O-CB 3.4Å; E1182-A1186 PolarHBondContact O-N 3.49Å
1183L73.3Confident73.3Confident123 Ų123107 Ų10764%0.64454%0.543SS*.Hα-helixtrans-61.1-38.9177.2-162.986.6000111.9I1179 S1181 K1187I1179-L1183 WeakPolarHBondContact O-CB 3.34Å; I1179-L1183 PolarHBondContact O-N 3.36Å; S1181-L1183 PolarHBondContact O-N 2.76Å; L1183-K1187 PolarHBondContact O-N 3.28Å
1184Q75.9Confident73.4Confident150 Ų150106.5 Ų106.570%0.70154%0.543SS*.Hα-helixtrans-73.3-32.2179.4-168.3164-15.200112.2L1180 S1181 E1182 S1188L1180-Q1184 WeakPolarHBondContact O-CB 3.15Å; L1180-Q1184 PolarHBondContact O-N 3.15Å; S1181-Q1184 PolarHBondContact O-N 2.82Å; E1182-Q1184 VanDerWaalsContact C-N 3.3Å; E1182-Q1184 PolarHBondContact O-N 3.19Å; Q1184-S1188 PolarHBondContact O-N 3.03Å
1185Q73.6Confident73.5Confident116 Ų116107.7 Ų107.754%0.54255%0.545SS..Hα-helixtrans-75.3-33.7172.9-164.7-178.42600112.8S1181 E1182 S1188 R1189S1181-Q1185 PolarHBondContact O-N 3.28Å; E1182-Q1185 PolarHBondContact O-N 3.42Å; Q1185-S1188 PolarHBondContact O-OG 3.3Å; Q1185-R1189 PolarHBondContact O-N 3.29Å
1186A66.3Low73.4Confident58 Ų58105.6 Ų105.648%0.47954%0.544SS..Hα-helixtrans-62.8-43.7173.500000111.3E1182 S1188 R1189 E1190E1182-A1186 WeakPolarHBondContact O-CB 3.4Å; E1182-A1186 PolarHBondContact O-N 3.49Å; A1186-S1188 PolarHBondContact O-N 2.85Å; A1186-R1189 PolarHBondContact O-N 3.01Å; A1186-E1190 PolarHBondContact O-N 3.46Å
1187K77.3Confident73.5Confident137 Ų137101.1 Ų101.160%0.59653%0.533SS*.Hα-helixtrans-64.6-34-179.6-171.8172.4-177.61750113.9L1183 Q1191L1183-K1187 PolarHBondContact O-N 3.28Å; K1187-Q1191 PolarHBondContact O-N 3.32Å
1188S76Confident73.6Confident55 Ų55102.9 Ų102.939%0.38553%0.531SS..Hα-helixtrans-73-37.7175.658.90000112.2Q1184 Q1185 A1186 Q1191 Q1192Q1184-S1188 PolarHBondContact O-N 3.03Å; Q1185-S1188 PolarHBondContact O-OG 3.3Å; A1186-S1188 PolarHBondContact O-N 2.85Å; S1188-Q1191 PolarHBondContact O-N 3.27Å; S1188-Q1192 WeakPolarHBondContact O-CG 3.48Å; S1188-Q1192 PolarHBondContact O-N 2.81Å; S1188-Q1192 VanDerWaalsContact O-N 3.12Å
1189R73.5Confident73.7Confident131 Ų131103.4 Ų103.449%0.49453%0.532SS..Hα-helixtrans-60.5-42.3169.4-93.3178.7162152-7.2112.2Q1185 A1186 Q1191 Q1192 L1193Q1185-R1189 PolarHBondContact O-N 3.29Å; A1186-R1189 PolarHBondContact O-N 3.01Å; R1189-Q1191 PolarHBondContact O-N 2.99Å; R1189-Q1192 PolarHBondContact O-N 2.79Å; R1189-L1193 WeakPolarHBondContact O-CG 3.2Å; R1189-L1193 PolarHBondContact O-N 3.39Å
1190E70.9Confident73.8Confident121 Ų121104 Ų10457%0.56553%0.534SS*.Hα-helixtrans-58.8-45.4176.5-174.3-179.3-156.500111.9A1186 Q1192 L1193 L1194A1186-E1190 PolarHBondContact O-N 3.46Å; E1190-Q1192 PolarHBondContact O-N 2.86Å; E1190-L1193 PolarHBondContact O-N 3.44Å; E1190-L1194 PolarHBondContact O-N 2.87Å
1191Q74.4Confident73.8Confident132 Ų132104.1 Ų104.162%0.61754%0.535SS*.Hα-helixtrans-64.1-38.9176-72.9-167.8-76.800113.1K1187 S1188 R1189 L1194 Q1195K1187-Q1191 PolarHBondContact O-N 3.32Å; S1188-Q1191 PolarHBondContact O-N 3.27Å; R1189-Q1191 PolarHBondContact O-N 2.99Å; Q1191-L1194 PolarHBondContact O-N 2.92Å; Q1191-Q1195 PolarHBondContact O-N 3.49Å; Q1191-Q1195 VanDerWaalsContact O-N 3.07Å
1192Q76Confident73.9Confident129 Ų129107.1 Ų107.160%0.60353%0.534SS*.Hα-helixtrans-64.5-42.3176.2-72.8174.2-19.800111.8S1188 R1189 E1190 Q1195 A1196S1188-Q1192 WeakPolarHBondContact O-CG 3.48Å; S1188-Q1192 PolarHBondContact O-N 2.81Å; S1188-Q1192 VanDerWaalsContact O-N 3.12Å; R1189-Q1192 PolarHBondContact O-N 2.79Å; E1190-Q1192 PolarHBondContact O-N 2.86Å; Q1192-Q1195 PolarHBondContact O-N 3.38Å; Q1192-A1196 PolarHBondContact O-N 3.45Å
1193L69.6Low74.2Confident120 Ų120107.4 Ų107.463%0.62854%0.539SS*.Hα-helixtrans-64.6-42.6176.4-72.1168.5000112.1R1189 E1190 Q1195 A1196 V1197R1189-L1193 WeakPolarHBondContact O-CG 3.2Å; R1189-L1193 PolarHBondContact O-N 3.39Å; E1190-L1193 PolarHBondContact O-N 3.44Å; L1193-Q1195 VanDerWaalsContact C-N 3.31Å; L1193-Q1195 PolarHBondContact O-N 3.42Å; L1193-A1196 PolarHBondContact O-N 3.32Å; L1193-V1197 WeakPolarHBondContact O-CG2 3.35Å; L1193-V1197 PolarHBondContact O-N 3.46Å
1194L74.8Confident74.3Confident105 Ų105108.9 Ų108.955%0.5554%0.536SS..Hα-helixtrans-57-44.6173.4-105.8158.2000111.9E1190 Q1191 V1197 E1198E1190-L1194 PolarHBondContact O-N 2.87Å; Q1191-L1194 PolarHBondContact O-N 2.92Å; L1194-V1197 PolarHBondContact O-N 3.23Å; L1194-E1198 PolarHBondContact O-N 3.15Å
1195Q77Confident74.5Confident139 Ų139106.5 Ų106.565%0.6553%0.528SS*.Hα-helixtrans-68.1-37.2-179.7-158.1167.729.300112.4Q1191 Q1192 L1193 E1198 T1199Q1191-Q1195 PolarHBondContact O-N 3.49Å; Q1191-Q1195 VanDerWaalsContact O-N 3.07Å; Q1192-Q1195 PolarHBondContact O-N 3.38Å; L1193-Q1195 VanDerWaalsContact C-N 3.31Å; L1193-Q1195 PolarHBondContact O-N 3.42Å; Q1195-E1198 PolarHBondContact O-N 3.44Å; Q1195-T1199 PolarHBondContact O-N 3.1Å; Q1195-T1199 PolarHBondContact O-OG1 2.83Å
1196A72.3Confident74.6Confident51 Ų51103.8 Ų103.842%0.42153%0.525SS..Hα-helixtrans-67-36.917400000112.9Q1192 L1193 E1198 T1199 M1200Q1192-A1196 PolarHBondContact O-N 3.45Å; L1193-A1196 PolarHBondContact O-N 3.32Å; A1196-E1198 VanDerWaalsContact C-N 3.35Å; A1196-T1199 WeakPolarHBondContact CA-OG1 3.49Å; A1196-T1199 PolarHBondContact O-N 3.43Å; A1196-T1199 PolarHBondContact O-OG1 3.43Å; A1196-M1200 WeakPolarHBondContact O-CB 3.28Å; A1196-M1200 PolarHBondContact O-N 2.79Å
1197V71.5Confident75Confident68 Ų68106.1 Ų106.141%0.41253%0.529SS..Hα-helixtrans-66.3-36.4173.9168.90000111.3L1193 L1194 M1200 N1201L1193-V1197 WeakPolarHBondContact O-CG2 3.35Å; L1193-V1197 PolarHBondContact O-N 3.46Å; L1194-V1197 PolarHBondContact O-N 3.23Å; V1197-M1200 HydrophobicContact CG2-CE 4.3Å; V1197-N1201 WeakPolarHBondContact O-CB 3.45Å; V1197-N1201 PolarHBondContact O-N 2.77Å; V1197-N1201 PolarHBondContact O-ND2 3.5Å
1198E76.4Confident75Confident99 Ų99103 Ų10346%0.46352%0.519SS..Hα-helixtrans-63.6-42.9173-77-165.1-169.300113.2L1194 Q1195 A1196 N1201 R1202L1194-E1198 PolarHBondContact O-N 3.15Å; Q1195-E1198 PolarHBondContact O-N 3.44Å; A1196-E1198 VanDerWaalsContact C-N 3.35Å; E1198-N1201 PolarHBondContact O-N 3.35Å; E1198-R1202 WeakPolarHBondContact O-CG 3.49Å; E1198-R1202 PolarHBondContact O-N 2.79Å; E1198-R1202 IonicContact OE2-CZ 2.68Å; E1198-R1202 IonicContact OE2-NH1 2.6Å; E1198-R1202 PolarHBondContact OE2-NH1 3.3Å; E1198-R1202 IonicContact OE2-NH2 2.66Å; E1198-R1202 PolarHBondContact OE2-NH2 2.91Å
1199T76.9Confident75.1Confident67 Ų67106.4 Ų106.441%0.41153%0.529SS..Hα-helixtrans-63.9-48.9175.837.80000111.2Q1195 A1196 N1201 R1202 D1203Q1195-T1199 PolarHBondContact O-N 3.1Å; Q1195-T1199 PolarHBondContact O-OG1 2.83Å; A1196-T1199 WeakPolarHBondContact CA-OG1 3.49Å; A1196-T1199 PolarHBondContact O-N 3.43Å; A1196-T1199 PolarHBondContact O-OG1 3.43Å; T1199-N1201 PolarHBondContact O-N 3.38Å; T1199-N1201 VanDerWaalsContact O-N 3.16Å; T1199-R1202 WeakPolarHBondContact O-CA 3.23Å; T1199-R1202 WeakPolarHBondContact O-CB 3.44Å; T1199-R1202 PolarHBondContact O-N 3.25Å; T1199-D1203 VanDerWaalsContact O-CG 3.24Å; T1199-D1203 PolarHBondContact O-N 2.73Å
1200M73.1Confident75.2Confident116 Ų116103 Ų10357%0.57153%0.528SS*.Hα-helixtrans-57.3-34.7177.9-178.2173.456.600112.9A1196 V1197 R1204A1196-M1200 WeakPolarHBondContact O-CB 3.28Å; A1196-M1200 PolarHBondContact O-N 2.79Å; V1197-M1200 HydrophobicContact CG2-CE 4.3Å; M1200-R1204 VanDerWaalsContact O-CB 3.26Å; M1200-R1204 WeakPolarHBondContact O-CB 3.38Å; M1200-R1204 PolarHBondContact O-N 3.25Å
1201N75.8Confident75.4Confident90 Ų90100.9 Ų100.948%0.48152%0.52SS..Hα-helixtrans-70.7-33.1174-78.3-42.3000113.4V1197 E1198 T1199 L1205V1197-N1201 WeakPolarHBondContact O-CB 3.45Å; V1197-N1201 PolarHBondContact O-N 2.77Å; V1197-N1201 PolarHBondContact O-ND2 3.5Å; E1198-N1201 PolarHBondContact O-N 3.35Å; T1199-N1201 PolarHBondContact O-N 3.38Å; T1199-N1201 VanDerWaalsContact O-N 3.16Å; N1201-L1205 WeakPolarHBondContact O-CB 3.4Å; N1201-L1205 PolarHBondContact O-N 3.27Å
1202R77.7Confident75.6Confident142 Ų14298.1 Ų98.154%0.53652%0.515SS..Hα-helixtrans-70.3-45.5173.5-67.9175.4-171.6105.47.8110.9E1198 T1199 R1204 L1205 A1206E1198-R1202 WeakPolarHBondContact O-CG 3.49Å; E1198-R1202 PolarHBondContact O-N 2.79Å; E1198-R1202 IonicContact OE2-CZ 2.68Å; E1198-R1202 IonicContact OE2-NH1 2.6Å; E1198-R1202 PolarHBondContact OE2-NH1 3.3Å; E1198-R1202 IonicContact OE2-NH2 2.66Å; E1198-R1202 PolarHBondContact OE2-NH2 2.91Å; T1199-R1202 WeakPolarHBondContact O-CA 3.23Å; T1199-R1202 WeakPolarHBondContact O-CB 3.44Å; T1199-R1202 PolarHBondContact O-N 3.25Å; R1202-R1204 PolarHBondContact O-N 2.77Å; R1202-L1205 PolarHBondContact O-N 2.95Å; R1202-L1205 VanDerWaalsContact O-N 3.12Å; R1202-A1206 PolarHBondContact O-N 3.47Å
1203D76.4Confident75.7Confident107 Ų10795.6 Ų95.657%0.57251%0.512SS*.Hα-helixtrans-64.5-41.6-179-57.7-29000111T1199 L1205 A1206 L1207T1199-D1203 VanDerWaalsContact O-CG 3.24Å; T1199-D1203 PolarHBondContact O-N 2.73Å; D1203-L1205 PolarHBondContact O-N 3.45Å; D1203-A1206 PolarHBondContact O-N 3.25Å; D1203-L1207 PolarHBondContact O-N 2.97Å
1204R75.6Confident76Confident153 Ų15393.1 Ų93.158%0.57751%0.505SS*.Hα-helixtrans-57.6-45.2170.4177179.6173.4157.96.3112.2M1200 R1202 A1206 L1207 D1208M1200-R1204 VanDerWaalsContact O-CB 3.26Å; M1200-R1204 WeakPolarHBondContact O-CB 3.38Å; M1200-R1204 PolarHBondContact O-N 3.25Å; R1202-R1204 PolarHBondContact O-N 2.77Å; R1204-A1206 VanDerWaalsContact C-N 3.3Å; R1204-A1206 PolarHBondContact O-N 3.42Å; R1204-L1207 WeakPolarHBondContact O-CB 3.32Å; R1204-L1207 PolarHBondContact O-N 3.24Å; R1204-L1207 VanDerWaalsContact O-N 3.13Å; R1204-D1208 IonicContact NE-OD2 2.75Å; R1204-D1208 PolarHBondContact O-N 2.93Å
1205L78.8Confident76.1Confident101 Ų10193.9 Ų93.953%0.52951%0.505SS..Hα-helixtrans-68.3-32.1-177.1-156.6153.8000111.5N1201 R1202 D1203 Q1209N1201-L1205 WeakPolarHBondContact O-CB 3.4Å; N1201-L1205 PolarHBondContact O-N 3.27Å; R1202-L1205 PolarHBondContact O-N 2.95Å; R1202-L1205 VanDerWaalsContact O-N 3.12Å; D1203-L1205 PolarHBondContact O-N 3.45Å; L1205-Q1209 WeakPolarHBondContact O-CG 3.42Å; L1205-Q1209 PolarHBondContact O-N 3.42Å
1206A77.1Confident76.2Confident58 Ų5890.4 Ų90.448%0.47950%0.496SS..Hα-helixtrans-68-40168.900000112.5R1202 D1203 R1204 Q1209 A1210R1202-A1206 PolarHBondContact O-N 3.47Å; D1203-A1206 PolarHBondContact O-N 3.25Å; R1204-A1206 VanDerWaalsContact C-N 3.3Å; R1204-A1206 PolarHBondContact O-N 3.42Å; A1206-Q1209 PolarHBondContact O-N 3.21Å; A1206-A1210 PolarHBondContact O-N 3Å
1207L74.9Confident76.6Confident107 Ų10794 Ų9456%0.5650%0.504SS*.Hα-helixtrans-63.8-45.9175.3-169.973.7000111.9D1203 R1204 Q1209 A1210 I1211D1203-L1207 PolarHBondContact O-N 2.97Å; R1204-L1207 WeakPolarHBondContact O-CB 3.32Å; R1204-L1207 PolarHBondContact O-N 3.24Å; R1204-L1207 VanDerWaalsContact O-N 3.13Å; L1207-Q1209 PolarHBondContact O-N 3.38Å; L1207-A1210 PolarHBondContact O-N 3.19Å; L1207-A1210 VanDerWaalsContact O-N 3.13Å; L1207-I1211 HydrophobicContact CD2-CD1 4.45Å; L1207-I1211 HydrophobicContact CG-CD1 4.02Å; L1207-I1211 WeakPolarHBondContact O-CG1 3.38Å; L1207-I1211 PolarHBondContact O-N 3.23Å
1208D77Confident76.9Confident72 Ų7297.7 Ų97.739%0.38552%0.515SS..Hα-helixtrans-59.9-35.3177-70.8-24.2000111R1204 S1212R1204-D1208 IonicContact NE-OD2 2.75Å; R1204-D1208 PolarHBondContact O-N 2.93Å; D1208-S1212 WeakPolarHBondContact O-CB 3.37Å; D1208-S1212 PolarHBondContact O-N 3.42Å; D1208-S1212 VanDerWaalsContact O-N 3.09Å; D1208-S1212 PolarHBondContact O-OG 3.4Å
1209Q78.3Confident76.9Confident127 Ų12798.9 Ų98.959%0.59352%0.524SS*.Hα-helixtrans-70.2-43.2172.3-73.9178.18.900113L1205 A1206 L1207 S1212 S1213L1205-Q1209 WeakPolarHBondContact O-CG 3.42Å; L1205-Q1209 PolarHBondContact O-N 3.42Å; A1206-Q1209 PolarHBondContact O-N 3.21Å; L1207-Q1209 PolarHBondContact O-N 3.38Å; Q1209-S1212 PolarHBondContact O-N 2.97Å; Q1209-S1213 PolarHBondContact O-N 3.36Å
1210A74.9Confident77.1Confident58 Ų58101.9 Ų101.948%0.47954%0.535SS..Hα-helixtrans-63.5-41.8177.900000112A1206 L1207 S1213 S1214A1206-A1210 PolarHBondContact O-N 3Å; L1207-A1210 PolarHBondContact O-N 3.19Å; L1207-A1210 VanDerWaalsContact O-N 3.13Å; A1210-S1213 PolarHBondContact O-N 3.15Å; A1210-S1214 PolarHBondContact O-N 3.4Å
1211I75.1Confident77.5Confident77 Ų77100.6 Ų100.640%0.39553%0.53SS..Hα-helixtrans-60.6-50.2173.2-68166.9000110L1207 S1213 S1214 E1215L1207-I1211 HydrophobicContact CD2-CD1 4.45Å; L1207-I1211 HydrophobicContact CG-CD1 4.02Å; L1207-I1211 WeakPolarHBondContact O-CG1 3.38Å; L1207-I1211 PolarHBondContact O-N 3.23Å; I1211-S1213 VanDerWaalsContact C-N 3.26Å; I1211-S1213 PolarHBondContact O-N 3.45Å; I1211-S1214 PolarHBondContact O-N 3.5Å; I1211-S1214 VanDerWaalsContact O-N 3.09Å; I1211-E1215 HydrophobicContact CG2-CG 4.29Å; I1211-E1215 WeakPolarHBondContact O-CG 3.21Å; I1211-E1215 PolarHBondContact O-N 3.45Å
1212S78.7Confident77.8Confident75 Ų75100.5 Ų100.552%0.52453%0.532SS..Hα-helixtrans-56.5-39.4178.4-59.70000112.7D1208 Q1209 S1216D1208-S1212 WeakPolarHBondContact O-CB 3.37Å; D1208-S1212 PolarHBondContact O-N 3.42Å; D1208-S1212 VanDerWaalsContact O-N 3.09Å; D1208-S1212 PolarHBondContact O-OG 3.4Å; Q1209-S1212 PolarHBondContact O-N 2.97Å; S1212-S1216 PolarHBondContact O-N 2.79Å
1213S78.6Confident78Confident76 Ų7699.8 Ų99.853%0.53153%0.533SS..Hα-helixtrans-64.7-49.5174.9-167.10000111.5Q1209 A1210 I1211 E1215 S1216 E1217Q1209-S1213 PolarHBondContact O-N 3.36Å; A1210-S1213 PolarHBondContact O-N 3.15Å; I1211-S1213 VanDerWaalsContact C-N 3.26Å; I1211-S1213 PolarHBondContact O-N 3.45Å; S1213-E1215 PolarHBondContact O-N 3.3Å; S1213-S1216 PolarHBondContact O-N 3.22Å; S1213-S1216 VanDerWaalsContact O-N 3.17Å; S1213-S1216 PolarHBondContact O-OG 3.27Å; S1213-E1217 PolarHBondContact O-N 3.16Å
1214S76.1Confident78.2Confident68 Ų68100.2 Ų100.248%0.47653%0.532SS..Hα-helixtrans-64-37.3-179.1-1720000112.9A1210 I1211 S1216 E1217 K1218A1210-S1214 PolarHBondContact O-N 3.4Å; I1211-S1214 PolarHBondContact O-N 3.5Å; I1211-S1214 VanDerWaalsContact O-N 3.09Å; S1214-S1216 VanDerWaalsContact C-N 3.34Å; S1214-E1217 PolarHBondContact O-N 2.68Å; S1214-K1218 VanDerWaalsContact O-CB 3.27Å; S1214-K1218 WeakPolarHBondContact O-CB 3.36Å; S1214-K1218 PolarHBondContact O-N 3.47Å
1215E76.4Confident78.4Confident121 Ų12197.3 Ų97.357%0.56553%0.526SS*.Hα-helixtrans-65.9-36.5174.1-70.2-168.6149.900112.3I1211 S1213 L1219I1211-E1215 HydrophobicContact CG2-CG 4.29Å; I1211-E1215 WeakPolarHBondContact O-CG 3.21Å; I1211-E1215 PolarHBondContact O-N 3.45Å; S1213-E1215 PolarHBondContact O-N 3.3Å; E1215-L1219 WeakPolarHBondContact O-CB 3.19Å; E1215-L1219 PolarHBondContact O-N 3.24Å
1216S78.5Confident78.5Confident66 Ų6696.8 Ų96.846%0.46252%0.521SS..Hα-helixtrans-67.4-40.3175.480.60000112.7S1212 S1213 S1214 L1219 M1220S1212-S1216 PolarHBondContact O-N 2.79Å; S1213-S1216 PolarHBondContact O-N 3.22Å; S1213-S1216 VanDerWaalsContact O-N 3.17Å; S1213-S1216 PolarHBondContact O-OG 3.27Å; S1214-S1216 VanDerWaalsContact C-N 3.34Å; S1216-L1219 PolarHBondContact O-N 3.48Å; S1216-M1220 WeakPolarHBondContact O-CG 3.38Å; S1216-M1220 PolarHBondContact O-N 2.81Å
1217E80.7Confident78.8Confident125 Ų12597.7 Ų97.758%0.58452%0.518SS*.Hα-helixtrans-66.2-43.5175.5-177.1173.8-151.700111.2S1213 S1214 L1219 M1220 L1221S1213-E1217 PolarHBondContact O-N 3.16Å; S1214-E1217 PolarHBondContact O-N 2.68Å; E1217-L1219 VanDerWaalsContact C-N 3.33Å; E1217-L1219 PolarHBondContact O-N 3.29Å; E1217-M1220 WeakPolarHBondContact O-CB 3.3Å; E1217-M1220 PolarHBondContact O-N 3.36Å; E1217-M1220 VanDerWaalsContact O-N 3.14Å; E1217-L1221 HydrophobicContact CG-CD1 4.3Å; E1217-L1221 WeakPolarHBondContact O-CG 3.47Å; E1217-L1221 PolarHBondContact O-N 3.18Å
1218K78.7Confident79.3Confident146 Ų14696.6 Ų96.664%0.63551%0.512SS*.Hα-helixtrans-60.3-39.7174.2-175.1179.7178-175.20112.4S1214 L1221 V1222S1214-K1218 VanDerWaalsContact O-CB 3.27Å; S1214-K1218 WeakPolarHBondContact O-CB 3.36Å; S1214-K1218 PolarHBondContact O-N 3.47Å; K1218-L1221 PolarHBondContact O-N 3.03Å; K1218-V1222 WeakPolarHBondContact O-CB 3.42Å; K1218-V1222 VanDerWaalsContact O-CG2 3.27Å; K1218-V1222 WeakPolarHBondContact O-CG2 3.34Å; K1218-V1222 PolarHBondContact O-N 3.48Å
1219L75.2Confident79.4Confident124 Ų12498.9 Ų98.965%0.64952%0.519SS*.Hα-helixtrans-64.5-39.4173.7-86.3163.1000112.4E1215 S1216 E1217 K1223E1215-L1219 WeakPolarHBondContact O-CB 3.19Å; E1215-L1219 PolarHBondContact O-N 3.24Å; S1216-L1219 PolarHBondContact O-N 3.48Å; E1217-L1219 VanDerWaalsContact C-N 3.33Å; E1217-L1219 PolarHBondContact O-N 3.29Å; L1219-K1223 PolarHBondContact O-N 3.34Å; L1219-K1223 VanDerWaalsContact O-N 3.1Å
1220M81.9Confident79.7Confident131 Ų13196.4 Ų96.465%0.64551%0.509SS*.Hα-helixtrans-64.2-46.9174.3-73.7-67.6-67.400111.9S1216 E1217 V1222 K1223 E1224S1216-M1220 WeakPolarHBondContact O-CG 3.38Å; S1216-M1220 PolarHBondContact O-N 2.81Å; E1217-M1220 WeakPolarHBondContact O-CB 3.3Å; E1217-M1220 PolarHBondContact O-N 3.36Å; E1217-M1220 VanDerWaalsContact O-N 3.14Å; M1220-V1222 PolarHBondContact O-N 2.75Å; M1220-K1223 WeakPolarHBondContact O-CB 3.28Å; M1220-K1223 PolarHBondContact O-N 2.8Å; M1220-E1224 PolarHBondContact O-N 3.31Å
1221L81.4Confident80Confident89 Ų8997.8 Ų97.847%0.46651%0.506SS..Hα-helixtrans-63.5-40177.5-70.3169.7000112.5E1217 K1218 K1223 E1224 I1225E1217-L1221 HydrophobicContact CG-CD1 4.3Å; E1217-L1221 WeakPolarHBondContact O-CG 3.47Å; E1217-L1221 PolarHBondContact O-N 3.18Å; K1218-L1221 PolarHBondContact O-N 3.03Å; L1221-K1223 VanDerWaalsContact C-N 3.3Å; L1221-K1223 PolarHBondContact O-N 3.29Å; L1221-E1224 PolarHBondContact O-N 2.7Å; L1221-I1225 WeakPolarHBondContact O-CB 3.26Å; L1221-I1225 WeakPolarHBondContact O-CD1 3.23Å; L1221-I1225 VanDerWaalsContact O-CG1 3.26Å; L1221-I1225 WeakPolarHBondContact O-CG1 3.16Å; L1221-I1225 PolarHBondContact O-N 3.42Å
1222V81.4Confident80.4Confident87 Ų8798.2 Ų98.253%0.52751%0.508SS..Hα-helixtrans-61.8-38.9174.21660000111.3K1218 M1220 Q1226K1218-V1222 WeakPolarHBondContact O-CB 3.42Å; K1218-V1222 VanDerWaalsContact O-CG2 3.27Å; K1218-V1222 WeakPolarHBondContact O-CG2 3.34Å; K1218-V1222 PolarHBondContact O-N 3.48Å; M1220-V1222 PolarHBondContact O-N 2.75Å; V1222-Q1226 PolarHBondContact O-N 3.44Å; V1222-Q1226 VanDerWaalsContact O-N 3.12Å
1223K81.8Confident80.5Confident128 Ų128100 Ų10056%0.55751%0.512SS*.Hα-helixtrans-66.7-46.6175.3-174.8-177.2174-172.20111.8L1219 M1220 L1221 I1225 Q1226 D1227L1219-K1223 PolarHBondContact O-N 3.34Å; L1219-K1223 VanDerWaalsContact O-N 3.1Å; M1220-K1223 WeakPolarHBondContact O-CB 3.28Å; M1220-K1223 PolarHBondContact O-N 2.8Å; L1221-K1223 VanDerWaalsContact C-N 3.3Å; L1221-K1223 PolarHBondContact O-N 3.29Å; K1223-I1225 VanDerWaalsContact C-N 3.35Å; K1223-I1225 PolarHBondContact O-N 2.69Å; K1223-Q1226 WeakPolarHBondContact O-CB 3.27Å; K1223-Q1226 PolarHBondContact O-N 3.37Å; K1223-D1227 PolarHBondContact O-N 3.13Å
1224E82.2Confident80.8Confident116 Ų116101.1 Ų101.154%0.54251%0.51SS..Hα-helixtrans-60.9-42.1177.8-176170.1-155.900112M1220 L1221 Q1226 D1227 L1228M1220-E1224 PolarHBondContact O-N 3.31Å; L1221-E1224 PolarHBondContact O-N 2.7Å; E1224-Q1226 VanDerWaalsContact C-N 3.28Å; E1224-Q1226 PolarHBondContact O-N 3.46Å; E1224-D1227 PolarHBondContact O-N 3.17Å; E1224-L1228 HydrophobicContact CG-CD1 4.21Å; E1224-L1228 WeakPolarHBondContact O-CB 3.27Å; E1224-L1228 WeakPolarHBondContact O-CG 3.31Å; E1224-L1228 PolarHBondContact O-N 3.3Å
1225I79.8Confident81.2Confident91 Ų91105 Ų10547%0.46751%0.514SS..Hα-helixtrans-60-38.1173.1-71165.7000111.4L1221 K1223 K1229L1221-I1225 WeakPolarHBondContact O-CB 3.26Å; L1221-I1225 WeakPolarHBondContact O-CD1 3.23Å; L1221-I1225 VanDerWaalsContact O-CG1 3.26Å; L1221-I1225 WeakPolarHBondContact O-CG1 3.16Å; L1221-I1225 PolarHBondContact O-N 3.42Å; K1223-I1225 VanDerWaalsContact C-N 3.35Å; K1223-I1225 PolarHBondContact O-N 2.69Å; I1225-K1229 WeakPolarHBondContact O-CG 3.5Å; I1225-K1229 PolarHBondContact O-N 3.27Å
1226Q79.8Confident81.4Confident91 Ų91104.6 Ų104.643%0.42551%0.513SS..Hα-helixtrans-71.3-40.1177.2-17257.439.400112.2V1222 K1223 E1224 L1228 K1229 N1230V1222-Q1226 PolarHBondContact O-N 3.44Å; V1222-Q1226 VanDerWaalsContact O-N 3.12Å; K1223-Q1226 WeakPolarHBondContact O-CB 3.27Å; K1223-Q1226 PolarHBondContact O-N 3.37Å; E1224-Q1226 VanDerWaalsContact C-N 3.28Å; E1224-Q1226 PolarHBondContact O-N 3.46Å; Q1226-L1228 VanDerWaalsContact C-N 3.34Å; Q1226-K1229 PolarHBondContact O-N 3.46Å; Q1226-N1230 PolarHBondContact NE2-OD1 3.4Å; Q1226-N1230 PolarHBondContact O-N 3.44Å; Q1226-N1230 PolarHBondContact O-ND2 3.02Å; Q1226-N1230 PolarHBondContact O-OD1 3.29Å
1227D84.5Confident81.5Confident76 Ų76106.6 Ų106.641%0.40652%0.515SS..Hα-helixtrans-67.1-34.6175.4-73.5-29.7000111.9K1223 E1224 N1230 Q1231K1223-D1227 PolarHBondContact O-N 3.13Å; E1224-D1227 PolarHBondContact O-N 3.17Å; D1227-N1230 PolarHBondContact O-N 2.98Å; D1227-Q1231 WeakPolarHBondContact O-CG 3.46Å; D1227-Q1231 PolarHBondContact O-N 2.75Å
1228L84.2Confident81.8Confident85 Ų85104.5 Ų104.545%0.44551%0.507SS..Hα-helixtrans-66.6-42170.9-73.5170.6000112.4E1224 Q1226 N1230 Q1231 I1232E1224-L1228 HydrophobicContact CG-CD1 4.21Å; E1224-L1228 WeakPolarHBondContact O-CB 3.27Å; E1224-L1228 WeakPolarHBondContact O-CG 3.31Å; E1224-L1228 PolarHBondContact O-N 3.3Å; Q1226-L1228 VanDerWaalsContact C-N 3.34Å; L1228-N1230 VanDerWaalsContact C-N 3.33Å; L1228-N1230 PolarHBondContact O-N 3.22Å; L1228-Q1231 PolarHBondContact O-N 3.18Å; L1228-I1232 WeakPolarHBondContact O-CG1 3.48Å; L1228-I1232 PolarHBondContact O-N 3.03Å
1229K80.2Confident82Confident120 Ų120102.7 Ų102.752%0.52250%0.503SS..Hα-helixtrans-59.2-44.1172.2-77.1173.5-179.7178.50111.8I1225 Q1226 Q1231 I1232 L1233I1225-K1229 WeakPolarHBondContact O-CG 3.5Å; I1225-K1229 PolarHBondContact O-N 3.27Å; Q1226-K1229 PolarHBondContact O-N 3.46Å; K1229-Q1231 VanDerWaalsContact C-N 3.33Å; K1229-Q1231 PolarHBondContact O-N 3.49Å; K1229-I1232 PolarHBondContact O-N 3.04Å; K1229-L1233 PolarHBondContact O-N 3.25Å
1230N83Confident82.2Confident74 Ų7499 Ų9940%0.39649%0.49SS..Hα-helixtrans-60.4-42.3176-64.2-22.3000111.1Q1226 D1227 L1228 I1234Q1226-N1230 PolarHBondContact NE2-OD1 3.4Å; Q1226-N1230 PolarHBondContact O-N 3.44Å; Q1226-N1230 PolarHBondContact O-ND2 3.02Å; Q1226-N1230 PolarHBondContact O-OD1 3.29Å; D1227-N1230 PolarHBondContact O-N 2.98Å; L1228-N1230 VanDerWaalsContact C-N 3.33Å; L1228-N1230 PolarHBondContact O-N 3.22Å; N1230-I1234 WeakPolarHBondContact O-CD1 3.49Å; N1230-I1234 VanDerWaalsContact O-CG1 3.26Å; N1230-I1234 WeakPolarHBondContact O-CG1 3.38Å; N1230-I1234 PolarHBondContact O-N 3.24Å
1231Q82.8Confident82.3Confident88 Ų8896.2 Ų96.241%0.41148%0.477SS..Hα-helixtrans-64.7-39175.2-75.3-176.753.200113.6D1227 L1228 K1229 R1235D1227-Q1231 WeakPolarHBondContact O-CG 3.46Å; D1227-Q1231 PolarHBondContact O-N 2.75Å; L1228-Q1231 PolarHBondContact O-N 3.18Å; K1229-Q1231 VanDerWaalsContact C-N 3.33Å; K1229-Q1231 PolarHBondContact O-N 3.49Å; Q1231-R1235 WeakPolarHBondContact O-CG 3.3Å; Q1231-R1235 PolarHBondContact O-N 3.23Å; Q1231-R1235 VanDerWaalsContact OE1-NH2 3.14Å
1232I81.6Confident82.6Confident85 Ų8598.2 Ų98.244%0.43648%0.482SS..Hα-helixtrans-63.8-50.2177-69.8164.8000110L1228 K1229 I1234 R1235 E1236L1228-I1232 WeakPolarHBondContact O-CG1 3.48Å; L1228-I1232 PolarHBondContact O-N 3.03Å; K1229-I1232 PolarHBondContact O-N 3.04Å; I1232-I1234 VanDerWaalsContact C-N 3.3Å; I1232-I1234 PolarHBondContact O-N 3.05Å; I1232-R1235 WeakPolarHBondContact O-CA 3.38Å; I1232-R1235 WeakPolarHBondContact O-CB 3.42Å; I1232-R1235 PolarHBondContact O-N 3.17Å; I1232-E1236 HydrophobicContact CG2-CG 4.36Å; I1232-E1236 WeakPolarHBondContact O-CG 3.41Å; I1232-E1236 PolarHBondContact O-N 3.45Å
1233L82.6Confident82.6Confident114 Ų11499.7 Ų99.760%0.59749%0.487SS*.Hα-helixtrans-60.7-37.7179.8-173.4144.6000112.3K1229 E1236 Q1237K1229-L1233 PolarHBondContact O-N 3.25Å; L1233-E1236 PolarHBondContact O-N 2.88Å; L1233-Q1237 PolarHBondContact O-N 3.26Å
1234I83.9Confident82.7Confident98 Ų9897.5 Ų97.550%0.50348%0.484SS..Hα-helixtrans-64.8-39.5172.4-70.3166.9000111.4N1230 I1232 N1238N1230-I1234 WeakPolarHBondContact O-CD1 3.49Å; N1230-I1234 VanDerWaalsContact O-CG1 3.26Å; N1230-I1234 WeakPolarHBondContact O-CG1 3.38Å; N1230-I1234 PolarHBondContact O-N 3.24Å; I1232-I1234 VanDerWaalsContact C-N 3.3Å; I1232-I1234 PolarHBondContact O-N 3.05Å; I1234-N1238 WeakPolarHBondContact O-CB 3.43Å; I1234-N1238 PolarHBondContact O-N 3.5Å; I1234-N1238 PolarHBondContact O-ND2 3.4Å
1235R84.1Confident82.8Confident149 Ų14997.4 Ų97.456%0.56249%0.487SS*.Hα-helixtrans-67.5-40.3176.5-72.4171.9-169.3161.99.8111.9Q1231 I1232 N1238 M1239Q1231-R1235 WeakPolarHBondContact O-CG 3.3Å; Q1231-R1235 PolarHBondContact O-N 3.23Å; Q1231-R1235 VanDerWaalsContact OE1-NH2 3.14Å; I1232-R1235 WeakPolarHBondContact O-CA 3.38Å; I1232-R1235 WeakPolarHBondContact O-CB 3.42Å; I1232-R1235 PolarHBondContact O-N 3.17Å; R1235-N1238 PolarHBondContact O-N 3.34Å; R1235-M1239 WeakPolarHBondContact O-CG 3.46Å; R1235-M1239 PolarHBondContact O-N 3.3Å
1236E81.9Confident83Confident113 Ų11397.5 Ų97.553%0.52849%0.488SS..Hα-helixtrans-62.7-46.7176.7-71.1173.8157.500111.5I1232 L1233 N1238 M1239 A1240I1232-E1236 HydrophobicContact CG2-CG 4.36Å; I1232-E1236 WeakPolarHBondContact O-CG 3.41Å; I1232-E1236 PolarHBondContact O-N 3.45Å; L1233-E1236 PolarHBondContact O-N 2.88Å; E1236-N1238 PolarHBondContact O-N 3.46Å; E1236-M1239 HydrophobicContact CG-CE 4.39Å; E1236-M1239 PolarHBondContact O-N 3.26Å; E1236-M1239 VanDerWaalsContact O-N 3.11Å; E1236-A1240 PolarHBondContact O-N 3.38Å
1237Q80.6Confident83.1Confident108 Ų10896.4 Ų96.451%0.50549%0.49SS..Hα-helixtrans-58.7-48.5173.5-172.963.752.200111.6L1233 M1239 A1240 D1241L1233-Q1237 PolarHBondContact O-N 3.26Å; Q1237-M1239 PolarHBondContact O-N 3.35Å; Q1237-M1239 VanDerWaalsContact O-N 3.14Å; Q1237-A1240 PolarHBondContact O-N 3.05Å; Q1237-D1241 PolarHBondContact NE2-OD1 3.29Å; Q1237-D1241 PolarHBondContact O-N 3.39Å
1238N85.4Confident83.1Confident81 Ų8195.3 Ų95.343%0.43349%0.487SS..Hα-helixtrans-61.3-22.8177-85-84.3000113.7I1234 R1235 E1236 K1242I1234-N1238 WeakPolarHBondContact O-CB 3.43Å; I1234-N1238 PolarHBondContact O-N 3.5Å; I1234-N1238 PolarHBondContact O-ND2 3.4Å; R1235-N1238 PolarHBondContact O-N 3.34Å; E1236-N1238 PolarHBondContact O-N 3.46Å; N1238-K1242 WeakPolarHBondContact O-CD 3.45Å; N1238-K1242 VanDerWaalsContact O-CG 3.23Å; N1238-K1242 WeakPolarHBondContact O-CG 3.33Å; N1238-K1242 PolarHBondContact O-N 3.28Å
1239M83.7Confident83.2Confident109 Ų10992.8 Ų92.854%0.53748%0.481SS..Hα-helixtrans-82.7-40.5171.9-71.9-171.9-60.800111.8R1235 E1236 Q1237 D1241 K1242 L1243R1235-M1239 WeakPolarHBondContact O-CG 3.46Å; R1235-M1239 PolarHBondContact O-N 3.3Å; E1236-M1239 HydrophobicContact CG-CE 4.39Å; E1236-M1239 PolarHBondContact O-N 3.26Å; E1236-M1239 VanDerWaalsContact O-N 3.11Å; Q1237-M1239 PolarHBondContact O-N 3.35Å; Q1237-M1239 VanDerWaalsContact O-N 3.14Å; M1239-D1241 VanDerWaalsContact C-N 3.35Å; M1239-K1242 PolarHBondContact O-N 3.14Å; M1239-L1243 WeakPolarHBondContact O-CB 3.42Å; M1239-L1243 VanDerWaalsContact O-CG 3.3Å; M1239-L1243 WeakPolarHBondContact O-CG 3.35Å; M1239-L1243 PolarHBondContact O-N 3.3Å
1240A79.6Confident83.4Confident45 Ų4592.2 Ų92.237%0.37248%0.48SS..Hα-helixtrans-61.5-42174.500000112.1E1236 Q1237 L1243 T1244E1236-A1240 PolarHBondContact O-N 3.38Å; Q1237-A1240 PolarHBondContact O-N 3.05Å; A1240-L1243 PolarHBondContact O-N 3.4Å; A1240-T1244 WeakPolarHBondContact O-CB 3.47Å; A1240-T1244 PolarHBondContact O-N 3.4Å; A1240-T1244 PolarHBondContact O-OG1 3.42Å
1241D84.8Confident83.4Confident73 Ų7395.2 Ų95.239%0.3949%0.491SS..Hα-helixtrans-61.8-48.3175.8-61.9-22.3000110.6Q1237 M1239 L1243 T1244 D1245Q1237-D1241 PolarHBondContact NE2-OD1 3.29Å; Q1237-D1241 PolarHBondContact O-N 3.39Å; M1239-D1241 VanDerWaalsContact C-N 3.35Å; D1241-L1243 PolarHBondContact O-N 2.94Å; D1241-T1244 CarbonylContact O-C 3.17Å; D1241-T1244 WeakPolarHBondContact O-CA 3.19Å; D1241-T1244 WeakPolarHBondContact O-CB 3.29Å; D1241-T1244 PolarHBondContact O-N 3.26Å; D1241-T1244 VanDerWaalsContact O-N 3.07Å; D1241-D1245 PolarHBondContact O-N 3.5Å
1242K86.3Confident83.6Confident131 Ų13197.9 Ų97.957%0.5750%0.501SS*.Hα-helixtrans-62-39.2176.3-76.3173.4-176.3176.20113.5N1238 M1239 T1244 D1245 I1246N1238-K1242 WeakPolarHBondContact O-CD 3.45Å; N1238-K1242 VanDerWaalsContact O-CG 3.23Å; N1238-K1242 WeakPolarHBondContact O-CG 3.33Å; N1238-K1242 PolarHBondContact O-N 3.28Å; M1239-K1242 PolarHBondContact O-N 3.14Å; K1242-T1244 VanDerWaalsContact C-N 3.27Å; K1242-T1244 PolarHBondContact O-N 3.36Å; K1242-D1245 PolarHBondContact O-N 3.17Å; K1242-I1246 WeakPolarHBondContact O-CB 3.33Å; K1242-I1246 WeakPolarHBondContact O-CD1 3.34Å; K1242-I1246 VanDerWaalsContact O-CG1 3.25Å; K1242-I1246 WeakPolarHBondContact O-CG1 3.36Å; K1242-I1246 PolarHBondContact O-N 3.33Å
1243L81Confident83.9Confident118 Ų11899.4 Ų99.462%0.61851%0.507SS*.Hα-helixtrans-66-33.6174.8-73.1169.6000111.2M1239 A1240 D1241 S1247M1239-L1243 WeakPolarHBondContact O-CB 3.42Å; M1239-L1243 VanDerWaalsContact O-CG 3.3Å; M1239-L1243 WeakPolarHBondContact O-CG 3.35Å; M1239-L1243 PolarHBondContact O-N 3.3Å; A1240-L1243 PolarHBondContact O-N 3.4Å; D1241-L1243 PolarHBondContact O-N 2.94Å; L1243-S1247 VanDerWaalsContact O-CB 3.24Å; L1243-S1247 WeakPolarHBondContact O-CB 3.44Å; L1243-S1247 PolarHBondContact O-N 3.31Å
1244T84.6Confident84Confident82 Ų8298.9 Ų98.950%0.50350%0.504SS..Hα-helixtrans-69.5-43.4173.8-54.70000111.4A1240 D1241 K1242 S1247 T1248A1240-T1244 WeakPolarHBondContact O-CB 3.47Å; A1240-T1244 PolarHBondContact O-N 3.4Å; A1240-T1244 PolarHBondContact O-OG1 3.42Å; D1241-T1244 CarbonylContact O-C 3.17Å; D1241-T1244 WeakPolarHBondContact O-CA 3.19Å; D1241-T1244 WeakPolarHBondContact O-CB 3.29Å; D1241-T1244 PolarHBondContact O-N 3.26Å; D1241-T1244 VanDerWaalsContact O-N 3.07Å; K1242-T1244 VanDerWaalsContact C-N 3.27Å; K1242-T1244 PolarHBondContact O-N 3.36Å; T1244-S1247 PolarHBondContact O-N 3.41Å; T1244-T1248 WeakPolarHBondContact O-CG2 3.5Å; T1244-T1248 PolarHBondContact O-N 3.35Å; T1244-T1248 PolarHBondContact O-OG1 3.46Å
1245D84.9Confident84.1Confident114 Ų11498.9 Ų98.961%0.6150%0.502SS*.Hα-helixtrans-60.3-46173.6-82.2-23.7000112D1241 K1242 S1247 T1248 G1249D1241-D1245 PolarHBondContact O-N 3.5Å; K1242-D1245 PolarHBondContact O-N 3.17Å; D1245-S1247 VanDerWaalsContact C-N 3.35Å; D1245-S1247 PolarHBondContact O-N 3.24Å; D1245-T1248 PolarHBondContact O-N 3.13Å; D1245-T1248 PolarHBondContact O-OG1 3.25Å; D1245-G1249 PolarHBondContact O-N 3.34Å
1246I84.6Confident84.3Confident94 Ų9496 Ų9648%0.48250%0.497SS..Hα-helixtrans-62.1-42.7175.6-69.3165.1000110.8K1242 G1249 H1250K1242-I1246 WeakPolarHBondContact O-CB 3.33Å; K1242-I1246 WeakPolarHBondContact O-CD1 3.34Å; K1242-I1246 VanDerWaalsContact O-CG1 3.25Å; K1242-I1246 WeakPolarHBondContact O-CG1 3.36Å; K1242-I1246 PolarHBondContact O-N 3.33Å; I1246-G1249 PolarHBondContact O-N 3.32Å; I1246-H1250 VanDerWaalsContact CG2-CE1 3.43Å; I1246-H1250 WeakPolarHBondContact CG2-CE1 3.37Å; I1246-H1250 PolarHBondContact O-N 3.31Å; I1246-H1250 PolarHBondContact O-ND1 2.81Å
1247S81.6Confident84.6Confident68 Ų6894.8 Ų94.848%0.47649%0.494SS..Hα-helixtrans-61.2-49177-173.90000112L1243 T1244 D1245 G1249 H1250 Q1251L1243-S1247 VanDerWaalsContact O-CB 3.24Å; L1243-S1247 WeakPolarHBondContact O-CB 3.44Å; L1243-S1247 PolarHBondContact O-N 3.31Å; T1244-S1247 PolarHBondContact O-N 3.41Å; D1245-S1247 VanDerWaalsContact C-N 3.35Å; D1245-S1247 PolarHBondContact O-N 3.24Å; S1247-G1249 VanDerWaalsContact C-N 3.3Å; S1247-G1249 PolarHBondContact O-N 3.49Å; S1247-H1250 PolarHBondContact O-N 2.83Å; S1247-Q1251 WeakPolarHBondContact O-CB 3.43Å; S1247-Q1251 PolarHBondContact O-N 3.42Å
1248T83.5Confident84.8Confident53 Ų5395.5 Ų95.533%0.32550%0.497SS..Hα-helixtrans-69.4-27.617769.10000112.8T1244 D1245 K1252T1244-T1248 WeakPolarHBondContact O-CG2 3.5Å; T1244-T1248 PolarHBondContact O-N 3.35Å; T1244-T1248 PolarHBondContact O-OG1 3.46Å; D1245-T1248 PolarHBondContact O-N 3.13Å; D1245-T1248 PolarHBondContact O-OG1 3.25Å; T1248-K1252 WeakPolarHBondContact O-CD 3.26Å; T1248-K1252 VanDerWaalsContact O-CG 3.23Å; T1248-K1252 WeakPolarHBondContact O-CG 3.34Å; T1248-K1252 PolarHBondContact O-N 3.34Å
1249G87.2Confident84.9Confident31 Ų3195.1 Ų95.132%0.3250%0.495SS..Hα-helixtrans-62-56.6170.300000111.8D1245 I1246 S1247 Q1251 K1252 E1253D1245-G1249 PolarHBondContact O-N 3.34Å; I1246-G1249 PolarHBondContact O-N 3.32Å; S1247-G1249 VanDerWaalsContact C-N 3.3Å; S1247-G1249 PolarHBondContact O-N 3.49Å; G1249-Q1251 VanDerWaalsContact C-N 3.26Å; G1249-Q1251 PolarHBondContact O-N 3.19Å; G1249-K1252 WeakPolarHBondContact O-CB 3.34Å; G1249-K1252 PolarHBondContact O-N 2.85Å; G1249-K1252 VanDerWaalsContact O-N 3.16Å; G1249-E1253 PolarHBondContact O-N 2.68Å
1250H84.6Confident85.2Confident109 Ų10997.1 Ų97.151%0.50550%0.497SS..Hα-helixtrans-58.9-36.3175.3-67.3149.1000112.3I1246 S1247 E1253 L1254I1246-H1250 VanDerWaalsContact CG2-CE1 3.43Å; I1246-H1250 WeakPolarHBondContact CG2-CE1 3.37Å; I1246-H1250 PolarHBondContact O-N 3.31Å; I1246-H1250 PolarHBondContact O-ND1 2.81Å; S1247-H1250 PolarHBondContact O-N 2.83Å; H1250-E1253 PolarHBondContact O-N 2.63Å; H1250-L1254 WeakPolarHBondContact O-CB 3.42Å; H1250-L1254 VanDerWaalsContact O-CG 3.31Å; H1250-L1254 WeakPolarHBondContact O-CG 3.15Å; H1250-L1254 PolarHBondContact O-N 3.12Å
1251Q82.6Confident85.5Confident136 Ų136104 Ų10464%0.63651%0.513SS*.Hα-helixtrans-70-34.1178.1-167.4163.2-4.800112.7S1247 G1249 Q1255S1247-Q1251 WeakPolarHBondContact O-CB 3.43Å; S1247-Q1251 PolarHBondContact O-N 3.42Å; G1249-Q1251 VanDerWaalsContact C-N 3.26Å; G1249-Q1251 PolarHBondContact O-N 3.19Å; Q1251-Q1255 PolarHBondContact O-N 3.45Å
1252K87.5Confident85.7Confident144 Ų144103 Ų10363%0.62651%0.512SS*.Hα-helixtrans-66.6-40.2169.8-71.5159.7-173.3158.50111.7T1248 G1249 Q1255 L1256T1248-K1252 WeakPolarHBondContact O-CD 3.26Å; T1248-K1252 VanDerWaalsContact O-CG 3.23Å; T1248-K1252 WeakPolarHBondContact O-CG 3.34Å; T1248-K1252 PolarHBondContact O-N 3.34Å; G1249-K1252 WeakPolarHBondContact O-CB 3.34Å; G1249-K1252 PolarHBondContact O-N 2.85Å; G1249-K1252 VanDerWaalsContact O-N 3.16Å; K1252-Q1255 PolarHBondContact O-N 3.39Å; K1252-L1256 WeakPolarHBondContact O-CB 3.24Å; K1252-L1256 PolarHBondContact O-N 2.6Å
1253E87.3Confident85.9Confident117 Ų117102 Ų10255%0.54751%0.513SS..Hα-helixtrans-65.5-44.4176.2-175.5173-16000111.9G1249 H1250 Q1255 L1256 L1257G1249-E1253 PolarHBondContact O-N 2.68Å; H1250-E1253 PolarHBondContact O-N 2.63Å; E1253-Q1255 VanDerWaalsContact C-N 3.31Å; E1253-Q1255 PolarHBondContact O-N 2.66Å; E1253-L1256 PolarHBondContact O-N 3.07Å; E1253-L1257 HydrophobicContact CG-CD1 4.14Å; E1253-L1257 WeakPolarHBondContact O-CB 3.29Å; E1253-L1257 WeakPolarHBondContact O-CG 3.42Å; E1253-L1257 PolarHBondContact O-N 2.98Å
1254L84.7Confident86.3Confident104 Ų104102.1 Ų102.155%0.54551%0.51SS..Hα-helixtrans-59.8-39.8174.1-76.2169.6000112.2H1250 L1257 Q1258H1250-L1254 WeakPolarHBondContact O-CB 3.42Å; H1250-L1254 VanDerWaalsContact O-CG 3.31Å; H1250-L1254 WeakPolarHBondContact O-CG 3.15Å; H1250-L1254 PolarHBondContact O-N 3.12Å; L1254-L1257 PolarHBondContact O-N 3.05Å; L1254-Q1258 WeakPolarHBondContact O-CG 3.34Å; L1254-Q1258 PolarHBondContact O-N 2.8Å
1255Q85.9Confident86.5Confident97 Ų97105.6 Ų105.645%0.45352%0.519SS..Hα-helixtrans-61.8-49.6173-173.163.356.900111Q1251 K1252 E1253 L1257 Q1258 D1259Q1251-Q1255 PolarHBondContact O-N 3.45Å; K1252-Q1255 PolarHBondContact O-N 3.39Å; E1253-Q1255 VanDerWaalsContact C-N 3.31Å; E1253-Q1255 PolarHBondContact O-N 2.66Å; Q1255-L1257 VanDerWaalsContact C-N 3.27Å; Q1255-L1257 PolarHBondContact O-N 3.48Å; Q1255-Q1258 CarbonylContact O-C 3.56Å; Q1255-Q1258 WeakPolarHBondContact O-CA 3.46Å; Q1255-Q1258 WeakPolarHBondContact O-CB 3.38Å; Q1255-Q1258 PolarHBondContact O-N 3.43Å; Q1255-D1259 PolarHBondContact NE2-OD1 3.14Å; Q1255-D1259 PolarHBondContact O-N 3.31Å
1256L88.2Confident86.7Confident89 Ų89104.3 Ų104.347%0.46651%0.512SS..Hα-helixtrans-62.6-34-179.3-156.4157.5000112K1252 E1253 R1260K1252-L1256 WeakPolarHBondContact O-CB 3.24Å; K1252-L1256 PolarHBondContact O-N 2.6Å; E1253-L1256 PolarHBondContact O-N 3.07Å; L1256-R1260 HydrophobicContact CD2-CG 4.29Å; L1256-R1260 WeakPolarHBondContact O-CB 3.42Å; L1256-R1260 WeakPolarHBondContact O-CG 3.12Å; L1256-R1260 PolarHBondContact O-N 3.46Å
1257L88.2Confident87Confident87 Ų87105 Ų10546%0.45552%0.515SS..Hα-helixtrans-71.6-35.1172-70.4172.2000113.1E1253 L1254 Q1255 R1261E1253-L1257 HydrophobicContact CG-CD1 4.14Å; E1253-L1257 WeakPolarHBondContact O-CB 3.29Å; E1253-L1257 WeakPolarHBondContact O-CG 3.42Å; E1253-L1257 PolarHBondContact O-N 2.98Å; L1254-L1257 PolarHBondContact O-N 3.05Å; Q1255-L1257 VanDerWaalsContact C-N 3.27Å; Q1255-L1257 PolarHBondContact O-N 3.48Å; L1257-R1261 VanDerWaalsContact O-CB 3.29Å; L1257-R1261 WeakPolarHBondContact O-CB 3.49Å; L1257-R1261 PolarHBondContact O-N 3.14Å
1258Q85.1Confident87.3Confident123 Ų123106 Ų10658%0.57551%0.514SS*.Hα-helixtrans-66.5-43.3171.1-75.2-176.917.700111.5L1254 Q1255 R1261 S1262L1254-Q1258 WeakPolarHBondContact O-CG 3.34Å; L1254-Q1258 PolarHBondContact O-N 2.8Å; Q1255-Q1258 CarbonylContact O-C 3.56Å; Q1255-Q1258 WeakPolarHBondContact O-CA 3.46Å; Q1255-Q1258 WeakPolarHBondContact O-CB 3.38Å; Q1255-Q1258 PolarHBondContact O-N 3.43Å; Q1258-R1261 PolarHBondContact O-N 2.87Å; Q1258-S1262 PolarHBondContact O-N 2.88Å
1259D87.6Confident87.6Confident74 Ų74105.3 Ų105.340%0.39651%0.513SS..Hα-helixtrans-61.8-50178.7-61.8-16.9000110.1Q1255 R1261 S1262 D1263Q1255-D1259 PolarHBondContact NE2-OD1 3.14Å; Q1255-D1259 PolarHBondContact O-N 3.31Å; D1259-R1261 PolarHBondContact O-N 2.94Å; D1259-S1262 WeakPolarHBondContact O-CA 3.35Å; D1259-S1262 WeakPolarHBondContact O-CB 3.34Å; D1259-S1262 PolarHBondContact O-N 2.86Å; D1259-S1262 PolarHBondContact O-OG 3.23Å; D1259-D1263 PolarHBondContact O-N 3.49Å
1260R89.3Confident87.7Confident151 Ų151110.2 Ų110.257%0.5753%0.525SS*.Hα-helixtrans-55.8-46.8172.3-78.3-175.4-175.7-177.15.4112.7L1256 S1262 D1263 E1264L1256-R1260 HydrophobicContact CD2-CG 4.29Å; L1256-R1260 WeakPolarHBondContact O-CB 3.42Å; L1256-R1260 WeakPolarHBondContact O-CG 3.12Å; L1256-R1260 PolarHBondContact O-N 3.46Å; R1260-S1262 PolarHBondContact O-N 3.24Å; R1260-D1263 PolarHBondContact O-N 3.36Å; R1260-D1263 VanDerWaalsContact O-N 3.15Å; R1260-E1264 WeakPolarHBondContact O-CB 3.43Å; R1260-E1264 WeakPolarHBondContact O-CG 3.26Å; R1260-E1264 PolarHBondContact O-N 3.15Å
1261R87.2Confident88.1Confident188 Ų188109.9 Ų109.971%0.70953%0.527SS*.Hα-helixtrans-60.4-33.1176.2178.7-177.2-75.3-169.6-2.7111.5L1257 Q1258 D1259 K1265L1257-R1261 VanDerWaalsContact O-CB 3.29Å; L1257-R1261 WeakPolarHBondContact O-CB 3.49Å; L1257-R1261 PolarHBondContact O-N 3.14Å; Q1258-R1261 PolarHBondContact O-N 2.87Å; D1259-R1261 PolarHBondContact O-N 2.94Å; R1261-K1265 WeakPolarHBondContact O-CB 3.15Å; R1261-K1265 PolarHBondContact O-N 3.08Å
1262S88Confident88.5Confident54 Ų54111.3 Ų111.338%0.37853%0.526SS..Hα-helixtrans-69.9-41.7175.789.50000111.6Q1258 D1259 R1260 K1265 N1266Q1258-S1262 PolarHBondContact O-N 2.88Å; D1259-S1262 WeakPolarHBondContact O-CA 3.35Å; D1259-S1262 WeakPolarHBondContact O-CB 3.34Å; D1259-S1262 PolarHBondContact O-N 2.86Å; D1259-S1262 PolarHBondContact O-OG 3.23Å; R1260-S1262 PolarHBondContact O-N 3.24Å; S1262-K1265 PolarHBondContact O-N 3.01Å; S1262-N1266 WeakPolarHBondContact O-CB 3.48Å; S1262-N1266 PolarHBondContact O-N 3.17Å; S1262-N1266 PolarHBondContact O-ND2 3.09Å; S1262-N1266 VanDerWaalsContact O-ND2 3.13Å
1263D90.1Very high88.6Confident110 Ų110112.2 Ų112.259%0.58853%0.526SS*.Hα-helixtrans-67.4-42.3175.5-83.9-28.2000112.6D1259 R1260 N1266 M1267D1259-D1263 PolarHBondContact O-N 3.49Å; R1260-D1263 PolarHBondContact O-N 3.36Å; R1260-D1263 VanDerWaalsContact O-N 3.15Å; D1263-N1266 CarbonylContact O-C 3.59Å; D1263-N1266 PolarHBondContact O-N 3.45Å; D1263-M1267 WeakPolarHBondContact O-CB 3.41Å; D1263-M1267 PolarHBondContact O-N 3.32Å
1264E89.5Confident88.9Confident119 Ų119111.4 Ų111.456%0.55652%0.518SS*.Hα-helixtrans-59.4-45.9171.8-73.8172.7179.300111.1R1260 N1266 M1267 I1268R1260-E1264 WeakPolarHBondContact O-CB 3.43Å; R1260-E1264 WeakPolarHBondContact O-CG 3.26Å; R1260-E1264 PolarHBondContact O-N 3.15Å; E1264-N1266 VanDerWaalsContact C-N 3.34Å; E1264-N1266 PolarHBondContact O-N 3.21Å; E1264-M1267 PolarHBondContact O-N 3.41Å; E1264-I1268 WeakPolarHBondContact O-CB 3.28Å; E1264-I1268 VanDerWaalsContact O-CG1 3.25Å; E1264-I1268 WeakPolarHBondContact O-CG1 3.15Å; E1264-I1268 PolarHBondContact O-N 3.48Å
1265K89.8Confident89.1Confident155 Ų155110.7 Ų110.767%0.67451%0.513SS*.Hα-helixtrans-62.3-40.3175.7-174.6-179.5179.6-175.30111.8R1261 S1262 A1269R1261-K1265 WeakPolarHBondContact O-CB 3.15Å; R1261-K1265 PolarHBondContact O-N 3.08Å; S1262-K1265 PolarHBondContact O-N 3.01Å; K1265-A1269 VanDerWaalsContact O-CB 3.31Å; K1265-A1269 WeakPolarHBondContact O-CB 3.35Å; K1265-A1269 PolarHBondContact O-N 3.36Å
1266N89.1Confident89.3Confident87 Ų87110.3 Ų110.347%0.46552%0.515SS..Hα-helixtrans-66.1-39.2174.9-74.7-32000111.9S1262 D1263 E1264 A1269 K1270S1262-N1266 WeakPolarHBondContact O-CB 3.48Å; S1262-N1266 PolarHBondContact O-N 3.17Å; S1262-N1266 PolarHBondContact O-ND2 3.09Å; S1262-N1266 VanDerWaalsContact O-ND2 3.13Å; D1263-N1266 CarbonylContact O-C 3.59Å; D1263-N1266 PolarHBondContact O-N 3.45Å; E1264-N1266 VanDerWaalsContact C-N 3.34Å; E1264-N1266 PolarHBondContact O-N 3.21Å; N1266-A1269 PolarHBondContact O-N 3.46Å; N1266-K1270 WeakPolarHBondContact O-CG 2.98Å; N1266-K1270 PolarHBondContact O-N 3.44Å
1267M90.7Very high89.4Confident110 Ų110111 Ų11154%0.54252%0.515SS..Hα-helixtrans-67.1-46.4175.3-171.36684.900111D1263 E1264 A1269 K1270 L1271D1263-M1267 WeakPolarHBondContact O-CB 3.41Å; D1263-M1267 PolarHBondContact O-N 3.32Å; E1264-M1267 PolarHBondContact O-N 3.41Å; M1267-A1269 VanDerWaalsContact C-N 3.27Å; M1267-A1269 PolarHBondContact O-N 2.95Å; M1267-K1270 WeakPolarHBondContact O-CB 3.42Å; M1267-K1270 PolarHBondContact O-N 3.13Å; M1267-L1271 HydrophobicContact CG-CD1 4.08Å; M1267-L1271 HydrophobicContact CG-CG 4.42Å; M1267-L1271 WeakPolarHBondContact O-CB 3.35Å; M1267-L1271 WeakPolarHBondContact O-CG 3.5Å; M1267-L1271 PolarHBondContact O-N 2.68Å
1268I88.2Confident89.7Confident89 Ų89110.6 Ų110.646%0.45651%0.513SS..Hα-helixtrans-59-39.5174.1-69163.9000110.6E1264 K1270 L1271 R1272E1264-I1268 WeakPolarHBondContact O-CB 3.28Å; E1264-I1268 VanDerWaalsContact O-CG1 3.25Å; E1264-I1268 WeakPolarHBondContact O-CG1 3.15Å; E1264-I1268 PolarHBondContact O-N 3.48Å; I1268-K1270 VanDerWaalsContact C-N 3.34Å; I1268-K1270 PolarHBondContact O-N 2.69Å; I1268-L1271 PolarHBondContact O-N 2.78Å; I1268-R1272 HydrophobicContact CG2-CG 4.44Å; I1268-R1272 WeakPolarHBondContact O-CB 3.45Å; I1268-R1272 WeakPolarHBondContact O-CG 3.25Å; I1268-R1272 PolarHBondContact O-N 2.92Å
1269A88.1Confident90Very high37 Ų37110.8 Ų110.831%0.30651%0.514SS..Hα-helixtrans-71.2-23.2175.900000114.2K1265 N1266 M1267 R1273K1265-A1269 VanDerWaalsContact O-CB 3.31Å; K1265-A1269 WeakPolarHBondContact O-CB 3.35Å; K1265-A1269 PolarHBondContact O-N 3.36Å; N1266-A1269 PolarHBondContact O-N 3.46Å; M1267-A1269 VanDerWaalsContact C-N 3.27Å; M1267-A1269 PolarHBondContact O-N 2.95Å; A1269-R1273 PolarHBondContact O-NE 3.3Å
1270K90.5Very high90.1Very high135 Ų135111.4 Ų111.459%0.58752%0.52SS*.Hα-helixtrans-78.3-45168.9-73.1169.7-179.4174.60111N1266 M1267 I1268 R1273 R1274N1266-K1270 WeakPolarHBondContact O-CG 2.98Å; N1266-K1270 PolarHBondContact O-N 3.44Å; M1267-K1270 WeakPolarHBondContact O-CB 3.42Å; M1267-K1270 PolarHBondContact O-N 3.13Å; I1268-K1270 VanDerWaalsContact C-N 3.34Å; I1268-K1270 PolarHBondContact O-N 2.69Å; K1270-R1273 PolarHBondContact O-N 3.5Å; K1270-R1274 PolarHBondContact O-N 2.69Å
1271L91.6Very high90.2Very high101 Ų101108 Ų10853%0.52951%0.511SS..Hα-helixtrans-63.1-43.5178.9-71.4171.4000111.8M1267 I1268 R1274 I1275M1267-L1271 HydrophobicContact CG-CD1 4.08Å; M1267-L1271 HydrophobicContact CG-CG 4.42Å; M1267-L1271 WeakPolarHBondContact O-CB 3.35Å; M1267-L1271 WeakPolarHBondContact O-CG 3.5Å; M1267-L1271 PolarHBondContact O-N 2.68Å; I1268-L1271 PolarHBondContact O-N 2.78Å; L1271-R1274 PolarHBondContact O-N 3.48Å; L1271-I1275 WeakPolarHBondContact O-CG1 3.18Å; L1271-I1275 PolarHBondContact O-N 2.98Å
1272R91.4Very high90.4Very high167 Ų167104.8 Ų104.863%0.6351%0.507SS*.Hα-helixtrans-56.4-53.5172.2-76177.5-179.1-132.90.2111.3I1268 R1274 I1275 D1276I1268-R1272 HydrophobicContact CG2-CG 4.44Å; I1268-R1272 WeakPolarHBondContact O-CB 3.45Å; I1268-R1272 WeakPolarHBondContact O-CG 3.25Å; I1268-R1272 PolarHBondContact O-N 2.92Å; R1272-R1274 PolarHBondContact O-N 3.29Å; R1272-R1274 VanDerWaalsContact O-N 3.16Å; R1272-I1275 CarbonylContact O-C 3.59Å; R1272-I1275 WeakPolarHBondContact O-CA 3.4Å; R1272-I1275 WeakPolarHBondContact O-CB 3.08Å; R1272-I1275 PolarHBondContact O-N 2.61Å; R1272-D1276 PolarHBondContact O-N 2.97Å; R1272-D1276 VanDerWaalsContact O-OD2 3.09Å
1273R89.3Confident90.6Very high163 Ų163108.8 Ų108.862%0.61552%0.518SS*.Hα-helixtrans-56-34.6175.7-82.9-179.4-77.9177.2-10.8113.7A1269 K1270 D1276 Q1277A1269-R1273 PolarHBondContact O-NE 3.3Å; K1270-R1273 PolarHBondContact O-N 3.5Å; R1273-D1276 WeakPolarHBondContact CA-OD2 3.21Å; R1273-D1276 PolarHBondContact N-OD2 3.16Å; R1273-Q1277 VanDerWaalsContact O-CB 3.27Å; R1273-Q1277 WeakPolarHBondContact O-CB 3.35Å; R1273-Q1277 PolarHBondContact O-N 3.45Å
1274R93.4Very high90.5Very high99 Ų99106.6 Ų106.637%0.37451%0.506SS..Hα-helixtrans-74.7-32.2174.3-173.959.9-167.9149.313.1112.6K1270 L1271 R1272 L1278 E1281K1270-R1274 PolarHBondContact O-N 2.69Å; L1271-R1274 PolarHBondContact O-N 3.48Å; R1272-R1274 PolarHBondContact O-N 3.29Å; R1272-R1274 VanDerWaalsContact O-N 3.16Å; R1274-L1278 HydrophobicContact CG-CD1 4.11Å; R1274-L1278 HydrophobicContact CG-CG 4.5Å; R1274-L1278 VanDerWaalsContact NH2-CD2 3.27Å; R1274-L1278 VanDerWaalsContact O-CB 3.27Å; R1274-L1278 WeakPolarHBondContact O-CB 3.45Å; R1274-L1278 WeakPolarHBondContact O-CD1 3.21Å; R1274-L1278 WeakPolarHBondContact O-CG 3.13Å; R1274-L1278 PolarHBondContact O-N 3.11Å; R1274-E1281 IonicContact CZ-OE1 3.05Å; R1274-E1281 IonicContact CZ-OE2 3.53Å; R1274-E1281 IonicContact NH1-OE1 2.98Å; R1274-E1281 PolarHBondContact NH1-OE1 2.95Å; R1274-E1281 IonicContact NH1-OE2 3.4Å; R1274-E1281 IonicContact NH2-OE1 2.7Å; R1274-E1281 PolarHBondContact NH2-OE1 3.35Å; R1274-E1281 IonicContact NH2-OE2 2.79Å; R1274-E1281 PolarHBondContact NH2-OE2 3.16Å
1275I89.9Confident90.4Very high89 Ų89105.9 Ų105.946%0.45650%0.503SS..Hα-helixtrans-65.6-51170.1-67.9162.9000109.7L1271 R1272 Q1277 L1278 E1279L1271-I1275 WeakPolarHBondContact O-CG1 3.18Å; L1271-I1275 PolarHBondContact O-N 2.98Å; R1272-I1275 CarbonylContact O-C 3.59Å; R1272-I1275 WeakPolarHBondContact O-CA 3.4Å; R1272-I1275 WeakPolarHBondContact O-CB 3.08Å; R1272-I1275 PolarHBondContact O-N 2.61Å; I1275-Q1277 PolarHBondContact O-N 3.18Å; I1275-L1278 CarbonylContact O-C 3.55Å; I1275-L1278 WeakPolarHBondContact O-CB 3.43Å; I1275-L1278 PolarHBondContact O-N 3.37Å; I1275-E1279 HydrophobicContact CG2-CG 4.38Å; I1275-E1279 WeakPolarHBondContact O-CG 3.3Å; I1275-E1279 PolarHBondContact O-N 2.9Å
1276D90.3Very high90.4Very high90 Ų90106 Ų10648%0.48150%0.499SS..Hα-helixtrans-54.3-43.3177.2-51.3-37.8000110.9R1272 R1273 E1279 V1280R1272-D1276 PolarHBondContact O-N 2.97Å; R1272-D1276 VanDerWaalsContact O-OD2 3.09Å; R1273-D1276 WeakPolarHBondContact CA-OD2 3.21Å; R1273-D1276 PolarHBondContact N-OD2 3.16Å; D1276-E1279 PolarHBondContact O-N 3.34Å; D1276-V1280 WeakPolarHBondContact O-CG2 3.09Å; D1276-V1280 PolarHBondContact O-N 3.17Å; D1276-V1280 VanDerWaalsContact O-N 3.14Å
1277Q91.1Very high90.3Very high103 Ų103106.6 Ų106.648%0.48150%0.498SS..Hα-helixtrans-67.3-42.8175.9-167.5-176.72100112.7R1273 I1275 E1279 V1280 E1281R1273-Q1277 VanDerWaalsContact O-CB 3.27Å; R1273-Q1277 WeakPolarHBondContact O-CB 3.35Å; R1273-Q1277 PolarHBondContact O-N 3.45Å; I1275-Q1277 PolarHBondContact O-N 3.18Å; Q1277-E1279 VanDerWaalsContact C-N 3.33Å; Q1277-V1280 PolarHBondContact O-N 2.78Å; Q1277-E1281 WeakPolarHBondContact O-CG 3.09Å; Q1277-E1281 PolarHBondContact O-N 3.2Å
1278L92.5Very high90.2Very high79 Ų79107 Ų10741%0.41450%0.496SS..Hα-helixtrans-64.6-35.6175.2-81.2165.6000112R1274 I1275 V1280 E1281 L1282R1274-L1278 HydrophobicContact CG-CD1 4.11Å; R1274-L1278 HydrophobicContact CG-CG 4.5Å; R1274-L1278 VanDerWaalsContact NH2-CD2 3.27Å; R1274-L1278 VanDerWaalsContact O-CB 3.27Å; R1274-L1278 WeakPolarHBondContact O-CB 3.45Å; R1274-L1278 WeakPolarHBondContact O-CD1 3.21Å; R1274-L1278 WeakPolarHBondContact O-CG 3.13Å; R1274-L1278 PolarHBondContact O-N 3.11Å; I1275-L1278 CarbonylContact O-C 3.55Å; I1275-L1278 WeakPolarHBondContact O-CB 3.43Å; I1275-L1278 PolarHBondContact O-N 3.37Å; L1278-V1280 VanDerWaalsContact C-N 3.35Å; L1278-E1281 PolarHBondContact O-N 3.47Å; L1278-L1282 WeakPolarHBondContact O-CB 3.32Å; L1278-L1282 PolarHBondContact O-N 3.17Å
1279E92.1Very high90.1Very high127 Ų127108.6 Ų108.659%0.59350%0.502SS*.Hα-helixtrans-66.1-37.2174.3-74.1-173.2-17400111.6I1275 D1276 Q1277 K1283I1275-E1279 HydrophobicContact CG2-CG 4.38Å; I1275-E1279 WeakPolarHBondContact O-CG 3.3Å; I1275-E1279 PolarHBondContact O-N 2.9Å; D1276-E1279 PolarHBondContact O-N 3.34Å; Q1277-E1279 VanDerWaalsContact C-N 3.33Å; E1279-K1283 WeakPolarHBondContact O-CB 3.43Å; E1279-K1283 PolarHBondContact O-N 3.35Å
1280V89.9Confident90Very high86 Ų86111.4 Ų111.452%0.52151%0.508SS..Hα-helixtrans-67-48171173.80000111.2D1276 Q1277 L1278 L1282 K1283 D1284D1276-V1280 WeakPolarHBondContact O-CG2 3.09Å; D1276-V1280 PolarHBondContact O-N 3.17Å; D1276-V1280 VanDerWaalsContact O-N 3.14Å; Q1277-V1280 PolarHBondContact O-N 2.78Å; L1278-V1280 VanDerWaalsContact C-N 3.35Å; V1280-L1282 VanDerWaalsContact C-N 3.33Å; V1280-L1282 PolarHBondContact O-N 3.01Å; V1280-K1283 PolarHBondContact O-N 3.41Å; V1280-D1284 WeakPolarHBondContact O-CB 3.46Å; V1280-D1284 PolarHBondContact O-N 2.98Å
1281E91.2Very high89.7Confident81 Ų81109.5 Ų109.538%0.37950%0.504SS..Hα-helixtrans-54.8-47.2175.7-74.5168.2-155.700111.2R1274 Q1277 L1278 D1284 E1285R1274-E1281 IonicContact CZ-OE1 3.05Å; R1274-E1281 IonicContact CZ-OE2 3.53Å; R1274-E1281 IonicContact NH1-OE1 2.98Å; R1274-E1281 PolarHBondContact NH1-OE1 2.95Å; R1274-E1281 IonicContact NH1-OE2 3.4Å; R1274-E1281 IonicContact NH2-OE1 2.7Å; R1274-E1281 PolarHBondContact NH2-OE1 3.35Å; R1274-E1281 IonicContact NH2-OE2 2.79Å; R1274-E1281 PolarHBondContact NH2-OE2 3.16Å; Q1277-E1281 WeakPolarHBondContact O-CG 3.09Å; Q1277-E1281 PolarHBondContact O-N 3.2Å; L1278-E1281 PolarHBondContact O-N 3.47Å; E1281-D1284 PolarHBondContact O-N 2.91Å; E1281-E1285 PolarHBondContact O-N 3.1Å
1282L91.5Very high89.4Confident120 Ų120107.8 Ų107.863%0.62850%0.5SS*.Hα-helixtrans-71.9-34.5-179.2-155.7167.9000111.8L1278 V1280 R1286L1278-L1282 WeakPolarHBondContact O-CB 3.32Å; L1278-L1282 PolarHBondContact O-N 3.17Å; V1280-L1282 VanDerWaalsContact C-N 3.33Å; V1280-L1282 PolarHBondContact O-N 3.01Å; L1282-R1286 WeakPolarHBondContact O-CB 3.39Å; L1282-R1286 PolarHBondContact O-N 3.1Å
1283K91.4Very high88.9Confident137 Ų137104.3 Ų104.360%0.59649%0.493SS*.Hα-helixtrans-67.9-36.4173.3-173.4174.1-173.11740112E1279 V1280 K1287E1279-K1283 WeakPolarHBondContact O-CB 3.43Å; E1279-K1283 PolarHBondContact O-N 3.35Å; V1280-K1283 PolarHBondContact O-N 3.41Å; K1283-K1287 WeakPolarHBondContact O-CG 3.23Å; K1283-K1287 PolarHBondContact O-N 3.47Å
1284D89Confident88.5Confident64 Ų6499.7 Ų99.734%0.34248%0.483SS..Hα-helixtrans-78.6-33.6176.3-76.6-10.4000112.5V1280 E1281 K1287 K1288V1280-D1284 WeakPolarHBondContact O-CB 3.46Å; V1280-D1284 PolarHBondContact O-N 2.98Å; E1281-D1284 PolarHBondContact O-N 2.91Å; D1284-K1287 PolarHBondContact O-N 3.41Å; D1284-K1287 WeakPolarHBondContact OD1-CD 3.47Å; D1284-K1287 WeakPolarHBondContact OD1-CE 3.49Å; D1284-K1287 IonicContact OD1-NZ 2.66Å; D1284-K1287 PolarHBondContact OD1-NZ 3.49Å; D1284-K1288 WeakPolarHBondContact O-CG 3.36Å; D1284-K1288 PolarHBondContact O-N 3.01Å
1285E87.1Confident87.9Confident104 Ų104103.2 Ų103.249%0.48650%0.496SS..Hα-helixtrans-65.3-37.6166.1-74.9-54.6143.800112.1E1281 K1288 H1289E1281-E1285 PolarHBondContact O-N 3.1Å; E1285-K1288 PolarHBondContact O-N 3Å; E1285-K1288 WeakPolarHBondContact OE1-CD 3.42Å; E1285-K1288 IonicContact OE1-NZ 2.63Å; E1285-K1288 PolarHBondContact OE1-NZ 2.8Å; E1285-K1288 WeakPolarHBondContact OE2-CD 3.5Å; E1285-H1289 WeakPolarHBondContact O-CB 3.26Å; E1285-H1289 PolarHBondContact O-N 3.23Å
1286R89.5Confident87.3Confident158 Ų158102 Ų10260%0.59650%0.496SS*.Hα-helixtrans-59.2-48.9170.1178.3-175.5-77.9-135.73.8110.7L1282 K1288 H1289 E1290L1282-R1286 WeakPolarHBondContact O-CB 3.39Å; L1282-R1286 PolarHBondContact O-N 3.1Å; R1286-K1288 VanDerWaalsContact C-N 3.33Å; R1286-K1288 PolarHBondContact O-N 3.34Å; R1286-H1289 PolarHBondContact O-N 3.28Å; R1286-H1289 VanDerWaalsContact O-N 3.16Å; R1286-E1290 VanDerWaalsContact CD-OE1 3.31Å; R1286-E1290 WeakPolarHBondContact CD-OE1 3.4Å; R1286-E1290 HydrophobicContact CG-CG 4.24Å; R1286-E1290 VanDerWaalsContact CG-OE1 3.23Å; R1286-E1290 WeakPolarHBondContact CG-OE1 3.06Å; R1286-E1290 WeakPolarHBondContact O-CB 3.5Å; R1286-E1290 WeakPolarHBondContact O-CG 3.44Å; R1286-E1290 PolarHBondContact O-N 2.62Å
1287K88.3Confident86.6Confident100 Ų100100 Ų10044%0.43549%0.492SS..Hα-helixtrans-58.5-41.7174.7-71.1173.8-163.4160.10112.1K1283 D1284 H1289 L1291K1283-K1287 WeakPolarHBondContact O-CG 3.23Å; K1283-K1287 PolarHBondContact O-N 3.47Å; D1284-K1287 PolarHBondContact O-N 3.41Å; D1284-K1287 WeakPolarHBondContact OD1-CD 3.47Å; D1284-K1287 WeakPolarHBondContact OD1-CE 3.49Å; D1284-K1287 IonicContact OD1-NZ 2.66Å; D1284-K1287 PolarHBondContact OD1-NZ 3.49Å; K1287-H1289 VanDerWaalsContact C-N 3.34Å; K1287-L1291 WeakPolarHBondContact O-CB 3.08Å; K1287-L1291 WeakPolarHBondContact O-CD1 3.2Å; K1287-L1291 WeakPolarHBondContact O-CG 3.16Å; K1287-L1291 PolarHBondContact O-N 3.33Å
1288K88.8Confident85.9Confident117 Ų117100 Ų10051%0.50949%0.492SS..Hα-helixtrans-63.4-40.6176-74172.8-167.9172.40111.4D1284 E1285 R1286 S1292D1284-K1288 WeakPolarHBondContact O-CG 3.36Å; D1284-K1288 PolarHBondContact O-N 3.01Å; E1285-K1288 PolarHBondContact O-N 3Å; E1285-K1288 WeakPolarHBondContact OE1-CD 3.42Å; E1285-K1288 IonicContact OE1-NZ 2.63Å; E1285-K1288 PolarHBondContact OE1-NZ 2.8Å; E1285-K1288 WeakPolarHBondContact OE2-CD 3.5Å; R1286-K1288 VanDerWaalsContact C-N 3.33Å; R1286-K1288 PolarHBondContact O-N 3.34Å; K1288-S1292 WeakPolarHBondContact O-CB 3.48Å; K1288-S1292 PolarHBondContact O-N 2.84Å
1289H85Confident84.9Confident124 Ų124100 Ų10057%0.57450%0.498SS*.Hα-helixtrans-69.5-44.3177.9-168.652.2000111.5E1285 R1286 K1287 S1292 I1293E1285-H1289 WeakPolarHBondContact O-CB 3.26Å; E1285-H1289 PolarHBondContact O-N 3.23Å; R1286-H1289 PolarHBondContact O-N 3.28Å; R1286-H1289 VanDerWaalsContact O-N 3.16Å; K1287-H1289 VanDerWaalsContact C-N 3.34Å; H1289-S1292 WeakPolarHBondContact O-CB 3.32Å; H1289-S1292 PolarHBondContact O-N 3.42Å; H1289-S1292 VanDerWaalsContact O-N 3.13Å; H1289-I1293 WeakPolarHBondContact O-CG1 3.24Å; H1289-I1293 PolarHBondContact O-N 2.9Å
1290E86.3Confident83.9Confident96 Ų9699.7 Ų99.745%0.44950%0.5SS..Hα-helixtrans-57.9-47.4171.3-73.2168.3179.100111R1286 S1292 I1293 V1294R1286-E1290 VanDerWaalsContact CD-OE1 3.31Å; R1286-E1290 WeakPolarHBondContact CD-OE1 3.4Å; R1286-E1290 HydrophobicContact CG-CG 4.24Å; R1286-E1290 VanDerWaalsContact CG-OE1 3.23Å; R1286-E1290 WeakPolarHBondContact CG-OE1 3.06Å; R1286-E1290 WeakPolarHBondContact O-CB 3.5Å; R1286-E1290 WeakPolarHBondContact O-CG 3.44Å; R1286-E1290 PolarHBondContact O-N 2.62Å; E1290-S1292 VanDerWaalsContact C-N 3.31Å; E1290-S1292 PolarHBondContact O-N 3.48Å; E1290-I1293 PolarHBondContact O-N 3.12Å; E1290-V1294 WeakPolarHBondContact O-CB 3.42Å; E1290-V1294 VanDerWaalsContact O-CG2 3.26Å; E1290-V1294 WeakPolarHBondContact O-CG2 3.17Å; E1290-V1294 PolarHBondContact O-N 3.18Å
1291L84.2Confident82.7Confident95 Ų95100.8 Ų100.850%0.49750%0.502SS..Hα-helixtrans-65.4-28.9174.2-75.5167.3000113.3K1287 R1295K1287-L1291 WeakPolarHBondContact O-CB 3.08Å; K1287-L1291 WeakPolarHBondContact O-CD1 3.2Å; K1287-L1291 WeakPolarHBondContact O-CG 3.16Å; K1287-L1291 PolarHBondContact O-N 3.33Å; L1291-R1295 VanDerWaalsContact O-CB 3.24Å; L1291-R1295 WeakPolarHBondContact O-CB 3.14Å; L1291-R1295 WeakPolarHBondContact O-CG 3.43Å; L1291-R1295 PolarHBondContact O-N 3.41Å
1292S84.9Confident81.2Confident64 Ų64101 Ų10145%0.44851%0.506SS..Hα-helixtrans-76-39.5175.8-169.70000111.4K1288 H1289 E1290 S1296K1288-S1292 WeakPolarHBondContact O-CB 3.48Å; K1288-S1292 PolarHBondContact O-N 2.84Å; H1289-S1292 WeakPolarHBondContact O-CB 3.32Å; H1289-S1292 PolarHBondContact O-N 3.42Å; H1289-S1292 VanDerWaalsContact O-N 3.13Å; E1290-S1292 VanDerWaalsContact C-N 3.31Å; E1290-S1292 PolarHBondContact O-N 3.48Å; S1292-S1296 VanDerWaalsContact O-CB 3.29Å; S1292-S1296 WeakPolarHBondContact O-CB 3.46Å; S1292-S1296 PolarHBondContact O-N 3.1Å; S1292-S1296 PolarHBondContact O-OG 3.4Å
1293I82Confident79.5Confident94 Ų9498.1 Ų98.148%0.48250%0.499SS..Hα-helixtrans-64.5-46.9170.9-68.8165.1000109.8H1289 E1290 S1296 A1297H1289-I1293 WeakPolarHBondContact O-CG1 3.24Å; H1289-I1293 PolarHBondContact O-N 2.9Å; E1290-I1293 PolarHBondContact O-N 3.12Å; I1293-S1296 PolarHBondContact O-N 3.25Å; I1293-S1296 VanDerWaalsContact O-N 3.16Å; I1293-A1297 WeakPolarHBondContact O-CB 3.32Å; I1293-A1297 PolarHBondContact O-N 3.33Å
1294V80.8Confident77.8Confident67 Ų6796.2 Ų96.241%0.40650%0.499SS..Hα-helixtrans-59.7-50.4175.6167.80000110.1E1290 S1296 A1297 E1298E1290-V1294 WeakPolarHBondContact O-CB 3.42Å; E1290-V1294 VanDerWaalsContact O-CG2 3.26Å; E1290-V1294 WeakPolarHBondContact O-CG2 3.17Å; E1290-V1294 PolarHBondContact O-N 3.18Å; V1294-S1296 PolarHBondContact O-N 3.39Å; V1294-A1297 CarbonylContact O-C 3.47Å; V1294-A1297 PolarHBondContact O-N 3.2Å; V1294-A1297 VanDerWaalsContact O-N 3.1Å; V1294-E1298 HydrophobicContact CG1-CG 4.05Å; V1294-E1298 VanDerWaalsContact O-CB 3.31Å; V1294-E1298 WeakPolarHBondContact O-CB 3.4Å; V1294-E1298 VanDerWaalsContact O-CG 3.29Å; V1294-E1298 WeakPolarHBondContact O-CG 3.45Å; V1294-E1298 PolarHBondContact O-N 3.24Å
1295R79.8Confident76Confident173 Ų17396.7 Ų96.765%0.65350%0.501SS*.Hα-helixtrans-61.7-29.2175-76.8172.5-179.81751.1114L1291 S1299L1291-R1295 VanDerWaalsContact O-CB 3.24Å; L1291-R1295 WeakPolarHBondContact O-CB 3.14Å; L1291-R1295 WeakPolarHBondContact O-CG 3.43Å; L1291-R1295 PolarHBondContact O-N 3.41Å; R1295-S1299 WeakPolarHBondContact O-CB 3.48Å; R1295-S1299 PolarHBondContact O-N 2.88Å
1296S78.1Confident74.2Confident64 Ų6495.4 Ų95.445%0.44850%0.504SS..Hα-helixtrans-75-38.5174.7-59.30000111.5S1292 I1293 V1294 S1299 L1300S1292-S1296 VanDerWaalsContact O-CB 3.29Å; S1292-S1296 WeakPolarHBondContact O-CB 3.46Å; S1292-S1296 PolarHBondContact O-N 3.1Å; S1292-S1296 PolarHBondContact O-OG 3.4Å; I1293-S1296 PolarHBondContact O-N 3.25Å; I1293-S1296 VanDerWaalsContact O-N 3.16Å; V1294-S1296 PolarHBondContact O-N 3.39Å; S1296-S1299 PolarHBondContact O-N 3.41Å; S1296-L1300 WeakPolarHBondContact O-CB 3.49Å; S1296-L1300 VanDerWaalsContact O-CG 3.3Å; S1296-L1300 WeakPolarHBondContact O-CG 3.39Å; S1296-L1300 PolarHBondContact O-N 3.04Å
1297A76.1Confident72.2Confident48 Ų4898.9 Ų98.940%0.39752%0.517SS..Hα-helixtrans-71.2-40.2174.600000111.9I1293 V1294 L1300 L1301I1293-A1297 WeakPolarHBondContact O-CB 3.32Å; I1293-A1297 PolarHBondContact O-N 3.33Å; V1294-A1297 CarbonylContact O-C 3.47Å; V1294-A1297 PolarHBondContact O-N 3.2Å; V1294-A1297 VanDerWaalsContact O-N 3.1Å; A1297-L1300 PolarHBondContact O-N 3.17Å; A1297-L1301 WeakPolarHBondContact O-CB 3.49Å; A1297-L1301 PolarHBondContact O-N 3.05Å
1298E76.2Confident70.2Confident103 Ų10398 Ų9848%0.48152%0.523SS..Hα-helixtrans-62.6-43.3169.2-73173.4154.400110.5V1294 L1300 L1301 D1302V1294-E1298 HydrophobicContact CG1-CG 4.05Å; V1294-E1298 VanDerWaalsContact O-CB 3.31Å; V1294-E1298 WeakPolarHBondContact O-CB 3.4Å; V1294-E1298 VanDerWaalsContact O-CG 3.29Å; V1294-E1298 WeakPolarHBondContact O-CG 3.45Å; V1294-E1298 PolarHBondContact O-N 3.24Å; E1298-L1300 VanDerWaalsContact C-N 3.31Å; E1298-L1300 PolarHBondContact O-N 3.27Å; E1298-L1301 CarbonylContact O-C 3.53Å; E1298-L1301 WeakPolarHBondContact O-CB 3.42Å; E1298-L1301 PolarHBondContact O-N 3.13Å; E1298-L1301 VanDerWaalsContact O-N 3.16Å; E1298-D1302 VanDerWaalsContact O-CB 3.29Å; E1298-D1302 WeakPolarHBondContact O-CB 3.38Å; E1298-D1302 PolarHBondContact O-N 3.42Å
1299S70.5Confident67.7Low78 Ų7898.8 Ų98.855%0.54553%0.533SS..Hα-helixtrans-65.4-31.7174.8-1770000112.8R1295 S1296 A1303R1295-S1299 WeakPolarHBondContact O-CB 3.48Å; R1295-S1299 PolarHBondContact O-N 2.88Å; S1296-S1299 PolarHBondContact O-N 3.41Å; S1299-A1303 VanDerWaalsContact O-CB 3.24Å; S1299-A1303 WeakPolarHBondContact O-CB 3.33Å; S1299-A1303 PolarHBondContact O-N 3.25Å
1300L71.5Confident65.2Low121 Ų12197.4 Ų97.463%0.63454%0.537SS*.Hα-helixtrans-73.7-37.5170.5-74.5164.7000112.2S1296 A1297 E1298 A1303 T1304S1296-L1300 WeakPolarHBondContact O-CB 3.49Å; S1296-L1300 VanDerWaalsContact O-CG 3.3Å; S1296-L1300 WeakPolarHBondContact O-CG 3.39Å; S1296-L1300 PolarHBondContact O-N 3.04Å; A1297-L1300 PolarHBondContact O-N 3.17Å; E1298-L1300 VanDerWaalsContact C-N 3.31Å; E1298-L1300 PolarHBondContact O-N 3.27Å; L1300-A1303 PolarHBondContact O-N 3.49Å; L1300-T1304 PolarHBondContact O-N 3.13Å; L1300-T1304 PolarHBondContact O-OG1 3.41Å
1301L64.8Low62.9Low108 Ų108100.9 Ų100.957%0.56555%0.553SS**Hα-helixtrans-63.8-46.4171.5-117.173.2000110.3A1297 E1298 T1304 I1305A1297-L1301 WeakPolarHBondContact O-CB 3.49Å; A1297-L1301 PolarHBondContact O-N 3.05Å; E1298-L1301 CarbonylContact O-C 3.53Å; E1298-L1301 WeakPolarHBondContact O-CB 3.42Å; E1298-L1301 PolarHBondContact O-N 3.13Å; E1298-L1301 VanDerWaalsContact O-N 3.16Å; L1301-T1304 CarbonylContact O-C 3.41Å; L1301-T1304 VanDerWaalsContact O-CA 3.25Å; L1301-T1304 WeakPolarHBondContact O-CA 3.11Å; L1301-T1304 WeakPolarHBondContact O-CB 3.1Å; L1301-T1304 PolarHBondContact O-N 3.04Å; L1301-I1305 HydrophobicContact CB-CD1 4.17Å; L1301-I1305 HydrophobicContact CD2-CD1 4.14Å; L1301-I1305 HydrophobicContact CG-CD1 4.12Å; L1301-I1305 WeakPolarHBondContact O-CB 3.26Å; L1301-I1305 VanDerWaalsContact O-CG1 3.28Å; L1301-I1305 WeakPolarHBondContact O-CG1 3.48Å; L1301-I1305 PolarHBondContact O-N 3.16Å
1302D59.5Low60.6Low87 Ų87103.6 Ų103.647%0.46557%0.567SS.*Hα-helixtrans-71.2-27.1177.9-79.1-14.7000112.4E1298 T1304 S1306E1298-D1302 VanDerWaalsContact O-CB 3.29Å; E1298-D1302 WeakPolarHBondContact O-CB 3.38Å; E1298-D1302 PolarHBondContact O-N 3.42Å; D1302-T1304 PolarHBondContact O-N 2.94Å; D1302-S1306 WeakPolarHBondContact O-CA 3.32Å; D1302-S1306 WeakPolarHBondContact O-CB 3.46Å; D1302-S1306 PolarHBondContact O-N 3.14Å; D1302-S1306 PolarHBondContact O-OG 3.04Å
1303A56.5Low58.2Low58 Ų58105.4 Ų105.448%0.47958%0.579SS.*Hα-helixtrans-65.8-22.5164.900000112.3S1299 L1300 R1307S1299-A1303 VanDerWaalsContact O-CB 3.24Å; S1299-A1303 WeakPolarHBondContact O-CB 3.33Å; S1299-A1303 PolarHBondContact O-N 3.25Å; L1300-A1303 PolarHBondContact O-N 3.49Å; A1303-R1307 WeakPolarHBondContact O-CD 3.44Å; A1303-R1307 WeakPolarHBondContact O-CG 3.43Å
1304T54.4Low56Low97 Ų97108.3 Ų108.360%0.59559%0.593SS**Hα-helixtrans-94.7-33177.1-48.40000112.1L1300 L1301 D1302 S1308L1300-T1304 PolarHBondContact O-N 3.13Å; L1300-T1304 PolarHBondContact O-OG1 3.41Å; L1301-T1304 CarbonylContact O-C 3.41Å; L1301-T1304 VanDerWaalsContact O-CA 3.25Å; L1301-T1304 WeakPolarHBondContact O-CA 3.11Å; L1301-T1304 WeakPolarHBondContact O-CB 3.1Å; L1301-T1304 PolarHBondContact O-N 3.04Å; D1302-T1304 PolarHBondContact O-N 2.94Å; T1304-S1308 PolarHBondContact O-OG 2.85Å; T1304-S1308 VanDerWaalsContact O-OG 3.09Å
1305I51.8Low53.9Low74 Ų74112.3 Ų112.338%0.37961%0.609SS.*Hα-helixtrans-89.3-35.9-177.3-67.3166.4000110.9L1301 R1307 S1308 N1309L1301-I1305 HydrophobicContact CB-CD1 4.17Å; L1301-I1305 HydrophobicContact CD2-CD1 4.14Å; L1301-I1305 HydrophobicContact CG-CD1 4.12Å; L1301-I1305 WeakPolarHBondContact O-CB 3.26Å; L1301-I1305 VanDerWaalsContact O-CG1 3.28Å; L1301-I1305 WeakPolarHBondContact O-CG1 3.48Å; L1301-I1305 PolarHBondContact O-N 3.16Å; I1305-R1307 PolarHBondContact O-N 3.12Å; I1305-S1308 WeakPolarHBondContact CA-OG 3.36Å; I1305-S1308 CarbonylContact O-C 3.6Å; I1305-S1308 WeakPolarHBondContact O-CA 3.32Å; I1305-S1308 PolarHBondContact O-N 3.02Å; I1305-S1308 PolarHBondContact O-OG 2.85Å; I1305-N1309 PolarHBondContact O-N 2.62Å
1306S49.5Very low51.9Low78 Ų78111.7 Ų111.755%0.54561%0.613SS.*THydrogen-bonded Turntrans-69.5-14.2168.8-53.70000112.7D1302 S1308D1302-S1306 WeakPolarHBondContact O-CA 3.32Å; D1302-S1306 WeakPolarHBondContact O-CB 3.46Å; D1302-S1306 PolarHBondContact O-N 3.14Å; D1302-S1306 PolarHBondContact O-OG 3.04Å; S1306-S1308 VanDerWaalsContact C-N 3.29Å
1307R47.9Very low49.7Very low230 Ų230112.5 Ų112.587%0.86862%0.624SS**THydrogen-bonded Turntrans-78.5-8.9164.5-84.5-177.3174.8-172.60.8113.6A1303 I1305A1303-R1307 WeakPolarHBondContact O-CD 3.44Å; A1303-R1307 WeakPolarHBondContact O-CG 3.43Å; I1305-R1307 PolarHBondContact O-N 3.12Å
1308S46.7Very low47.7Very low81 Ų81117.2 Ų117.257%0.56664%0.642SS**THydrogen-bonded Turntrans-131-13.8-175.245.30000115.6T1304 I1305 S1306T1304-S1308 PolarHBondContact O-OG 2.85Å; T1304-S1308 VanDerWaalsContact O-OG 3.09Å; I1305-S1308 WeakPolarHBondContact CA-OG 3.36Å; I1305-S1308 CarbonylContact O-C 3.6Å; I1305-S1308 WeakPolarHBondContact O-CA 3.32Å; I1305-S1308 PolarHBondContact O-N 3.02Å; I1305-S1308 PolarHBondContact O-OG 2.85Å; S1306-S1308 VanDerWaalsContact C-N 3.29Å
1309N35Very low45.7Very low134 Ų134119 Ų11972%0.71766%0.655SS**  trans-145.789.1171.4-80.4-61.7000111.8I1305I1305-N1309 PolarHBondContact O-N 2.62Å
1310S33Very low44.1Very low95 Ų95122.9 Ų122.966%0.66466%0.664SS**  trans-91118.4171.456.80000111.5
1311H37.7Very low42.6Very low170 Ų170124.1 Ų124.179%0.78767%0.671SS**  trans150.8143142.4-87.1-68.9000112.9
1312I35.9Very low41.4Very low152 Ų152126.6 Ų126.678%0.77968%0.684SS**  trans64.4105.3164.8-55.5148.2000114.1
1313S33.9Very low40.6Very low101 Ų101127.5 Ų127.571%0.70670%0.695SS**  cis64.7102.313.9-168.30000117
1314M37.6Very low39.8Very low156 Ų156133.1 Ų133.177%0.76872%0.716SS**  171.9152.7123.5-94.5-175.5-67.600113.7
1315M36.1Very low39.1Very low150 Ų150131.4 Ų131.474%0.73972%0.718SS**  trans71.4148.6164-49.1-141.6173.500117.4
1316Q36.7Very low38.6Very low161 Ų161135.4 Ų135.475%0.75274%0.74SS**  cis-157.2130.4-15.6-107.2165.2-1000105.3
1317A33.2Very low38.1Very low80 Ų80143.4 Ų143.466%0.66177%0.774SS**  81.5115.368.900000115.9
1318N32.7Very low37.6Very low147 Ų147139.1 Ų139.179%0.78677%0.77SS**  trans82158.6154.1-60.5-7.8000121.9
1319N35.2Very low37.1Very low140 Ų140142.2 Ų142.275%0.74978%0.78SS**  trans80.6145.3169.1-53.2-18000117.5
1320H36.7Very low37.3Very low161 Ų161142.6 Ų142.675%0.74578%0.784SS**  cis-174.8164.1-35.4-112.4-50.5000108.4
1321L39.3Very low37.5Very low147 Ų147145.4 Ų145.477%0.7779%0.791SS**  trans65.2118.4170.6-60.2128.8000114.9
1322L40.7Very low37.5Very low159 Ų159143.9 Ų143.983%0.83279%0.791SS**  87.9139.660.5-80.2167.7000113.6
1323P42.3Very low37.6Very low107 Ų107143.3 Ų143.370%0.69579%0.792SS**  trans-105.2161.2-170.440.9-35.3000114.7
1324D40.2Very low37.9Very low175 Ų175146.4 Ų146.494%0.93680%0.798SS**  trans-166.1160.1153.8-91.2-40.8000106.3
1325G38.5Very low37.9Very low61 Ų61145.6 Ų145.663%0.62980%0.8SS**  cis167.2128.7-5.600000110.3
1326N41.9Very low38Very low159 Ų159145.3 Ų145.385%0.8581%0.806SS**  trans39.2111.3167.7-58.8-19.1000120.5
1327I39Very low38.2Very low246 Ų246143.8 Ų143.8100%1.26281%0.81SS**  -132.6097.6-68.2-168.3000107.6

Retrieved 1,327 of 1,327 residues in 344.1 ms (Link to these results)