A0A061I993_CRIGR Loading...

Putative UPF0575 protein C19orf67 like protein

AlphaFold DB , UniProt , Accession A0A061I993, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene CUNH19orf67, Length 356 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
1M34.5Very low31.2Very low246 Ų246147.1 Ų147.1100%1.21286%0.864SS**  0114.80-72.3-171.3-77.800107.2
2A25.4Very low31.1Very low105 Ų105142.7 Ų142.787%0.86886%0.857SS**  trans-71128-176.200000109.7
3A28.5Very low30.9Very low99 Ų99145.1 Ų145.182%0.81886%0.861SS**  trans-83.9110.3173.400000108.3
4E28.1Very low30.5Very low149 Ų149139.4 Ų139.470%0.69685%0.847SS**  trans-81.3125.6163.9-74.5-156.8140.700109.5W6E4-W6 PolarHBondContact O-N 3.47Å; E4-W6 PolarHBondContact OE2-NE1 3.14Å
5P31.5Very low30.8Very low120 Ų120139.3 Ų139.378%0.77985%0.85SS**  trans-85.4108.7176.231.6-28.3000109.6F7P5-F7 PolarHBondContact O-N 2.96Å
6W44.2Very low30.5Very low208 Ų208134.9 Ų134.979%0.78884%0.842SS**  trans-92.295.5170-7451.9000108.2E4E4-W6 PolarHBondContact O-N 3.47Å; E4-W6 PolarHBondContact OE2-NE1 3.14Å
7F34Very low30.4Very low214 Ų214139 Ų13994%0.93985%0.849SS**  trans172.177.3148-86.8-64.1000108P5P5-F7 PolarHBondContact O-N 2.96Å
8A29.3Very low30.2Very low106 Ų106136.6 Ų136.688%0.87685%0.846SS**  trans-126.490.116600000108.1
9G26.8Very low30.2Very low75 Ų75137.3 Ų137.377%0.77384%0.842SS**  trans-15180.8174.600000108.4
10S29.6Very low30.3Very low116 Ų116136.7 Ų136.781%0.81184%0.841SS**  trans-60.2133.2179-51.20000111.9
11L30.9Very low30.3Very low180 Ų180134.9 Ų134.994%0.94283%0.834SS**  trans-12199.4150.1-76.6175.4000108.2
12A30.6Very low30Very low94 Ų94131.8 Ų131.878%0.77782%0.817SS**  trans-80123.6161.500000108.4
13L28.7Very low30.2Very low174 Ų174135.3 Ų135.391%0.91182%0.815SS**  trans-151.7108.9152.3-147.178.6000108
14G24.6Very low30.3Very low65 Ų65139.1 Ų139.167%0.6782%0.821SS**  trans-87.2-160.9160.900000110.3
15P35.9Very low30.3Very low138 Ų138135.1 Ų135.190%0.89682%0.819SS**  -119150.4-68.135.2-25.4000110.8
16G26Very low30.4Very low70 Ų70135.7 Ų135.772%0.72282%0.823SS**  trans123.9109.7164.400000114
17E28.6Very low29.7Very low204 Ų204129 Ų12995%0.95382%0.819SS**  -175.5158.7106.5-99.8175.8127.800109.7
18A26.1Very low30.1Very low96 Ų96124.7 Ų124.779%0.79381%0.813SS**  trans-73.8157.4-15400000115.9
19L30.8Very low31Very low149 Ų149124.8 Ų124.878%0.7880%0.804SS**  trans-53.9162.4158.8-77.4161.5000111.8
20P31.8Very low31.8Very low125 Ų125126.6 Ų126.681%0.81280%0.802SS**  -123.3131.5119.931-21.7000112.6
21S29.7Very low31.8Very low100 Ų100132.1 Ų132.170%0.69981%0.807SS**  trans-80.2141.1158.7-61.50000109.6
22E29.6Very low31.7Very low181 Ų181126.8 Ų126.885%0.84680%0.795SS**  trans-175.6141.5153.6-104.1-177.3129.300105.8
23E28.2Very low31.6Very low179 Ų179129.8 Ų129.884%0.83680%0.799SS**  cis-165.3160.6-18.7-141.7-165168.200105.1
24L31.2Very low31.6Very low178 Ų178127.7 Ų127.793%0.93280%0.798SS**  trans-84.7144.9-168.6-168.173.4000112.3
25G27.5Very low31.8Very low65 Ų65129.1 Ų129.167%0.6780%0.798SS**  trans-167.1150.3164.600000113.5
26P34.6Very low31.4Very low133 Ų133134.3 Ų134.386%0.86480%0.8SS**  -107.9160-122.738.4-34.1000116.1
27G28.8Very low31.8Very low68 Ų68136.2 Ų136.270%0.70180%0.802SS**  trans-95.6-16515500000111.2
28P42.1Very low32.4Very low123 Ų123132.3 Ų132.380%0.79980%0.795SS**  cis-128.2-147.7-1245.1-24.9000109.5
29P48.2Very low32.3Very low108 Ų108132.7 Ų132.770%0.70180%0.797SS**  cis-134.9174.137.738.2-17000116.8
30P44.2Very low32.1Very low112 Ų112129.6 Ų129.673%0.72780%0.801SS**  trans-98151.317437.6-29.6000112.7
31Y30.3Very low32Very low232 Ų232134 Ų13491%0.9180%0.802SS**  trans-151.6138.4166.8-98.7-89.8000106
32G28.4Very low32.3Very low68 Ų68134.7 Ų134.770%0.70180%0.804SS**  cis172.7149.84.500000107
33D28.3Very low32.2Very low158 Ų158133.2 Ų133.285%0.84580%0.797SS**  trans-54.4158.7-175-69.1-57.2000116.4
34S28.4Very low32.1Very low129 Ų129130 Ų13090%0.90279%0.79SS**  trans-145.297.7143-71.10000110.6
35S28.5Very low31.9Very low95 Ų95126.2 Ų126.266%0.66478%0.778SS**  trans-52.4150.8156.21630000111.6
36W27.6Very low31.9Very low247 Ų247127.9 Ų127.994%0.93679%0.785SS**  -179.2127122.3-91.527.2000111.5
37S34.9Very low31.6Very low111 Ų111129.6 Ų129.678%0.77678%0.782SS**  trans-127.1161.3150.8-70.90000104.6
38P40.5Very low31.4Very low122 Ų122135 Ų13579%0.79279%0.789SS**  cis-157.4-172.442.340.1-15.6000117.8
39A25.7Very low30.7Very low103 Ų103138.6 Ų138.685%0.85180%0.795SS**  trans79.913014200000121.7
40G25.6Very low29.7Very low84 Ų84136.8 Ų136.887%0.86679%0.789SS**  trans165.285.3158.900000115.2
41R29.6Very low28.9Very low219 Ų219140.3 Ų140.383%0.82680%0.796SS**  trans-116.6144.6155.3-151-166.9-148.8-163.27.8106.6
42P37.2Very low28.6Very low113 Ų113141 Ų14173%0.73480%0.797SS**  -136.1146.9101.611.612.2000111.5
43E26.8Very low28.6Very low151 Ų151141.5 Ų141.571%0.70679%0.794SS**  54140.386-64.2-161.2155.900113.7
44T24.9Very low28.9Very low112 Ų112141.9 Ų141.969%0.68779%0.791SS**  cis-174.4160.9-12.626.20000105.5
45S27.8Very low28.9Very low98 Ų98144 Ų14469%0.68579%0.786SS**  trans69.8110.2149.4-62.90000121.9
46A28.2Very low29Very low99 Ų99145.9 Ų145.982%0.81879%0.789SS**  -157.887.7126.800000105.5
47E26.8Very low29.1Very low169 Ų169141 Ų14179%0.7978%0.778SS**  12.290.876.2-76.9-171.113700113.9
48Q25.3Very low28.8Very low183 Ų183143.8 Ų143.886%0.85578%0.779SS**  trans176.694.5130.9-99.8169.8-2600111.6
49E27.7Very low28.2Very low197 Ų197142.2 Ų142.292%0.92178%0.776SS**  trans-166.568.1139.5-108.3-178.816400104.9
50A26.3Very low28.8Very low70 Ų70143.6 Ų143.658%0.57978%0.776SS**  45.786.779.800000112.7
51Q28.1Very low28.9Very low186 Ų186143.9 Ų143.987%0.86977%0.77SS**  58.3101.3119.8-68.9161.7-38.200117.6
52R23.9Very low28.8Very low247 Ų247139.1 Ų139.193%0.93277%0.771SS**  trans-160.8124.5131.5-98.7179-163168.15.4103.3
53A29.3Very low28.3Very low78 Ų78138.1 Ų138.165%0.64577%0.772SS**  cis174.315123.700000101.5
54Q33Very low28.5Very low167 Ų167136.2 Ų136.278%0.7878%0.775SS**  cis-168.41269.6-98.9148.5-33.900100.9
55Q30.3Very low28.7Very low172 Ų172136.7 Ų136.780%0.80478%0.783SS**  62.413787.2-92.1-173.9-8.300115.9
56L29.7Very low28.9Very low136 Ų136143.3 Ų143.371%0.71279%0.793SS**  trans101.6128.1165.3-85.168.6000114.3
57M29.7Very low29.1Very low143 Ų143146.9 Ų146.970%0.70479%0.793SS**  cis-164.6123.19.3-130159.2-167.600105.1
58E27.6Very low29.5Very low171 Ų171144.4 Ų144.480%0.79979%0.791SS**  75.2108.395.7-152.2164.2-167.400113.9
59A29.1Very low29.9Very low88 Ų88143.5 Ų143.573%0.72779%0.792SS**  trans-77.8163.3163.100000110
60P38.3Very low30.2Very low132 Ų132138 Ų13886%0.85778%0.78SS**  -143.9167.9109.931.3-12.7000115.2
61A27.4Very low30.7Very low90 Ų90138.7 Ų138.774%0.74479%0.786SS**  trans-68.9154-168.200000116.6
62S27.6Very low31.1Very low120 Ų120138.2 Ų138.284%0.83978%0.783SS**  154.9149.9111.3-66.60000113.8
63A26.7Very low31.9Very low92 Ų92132.8 Ų132.876%0.7677%0.772SS**  trans98.1101.8156.700000120.1
64S30.7Very low32.3Very low111 Ų111130.3 Ų130.378%0.77675%0.754SS**  trans31121.7141.968.90000120.7
65S29.8Very low33.2Very low122 Ų122127.1 Ų127.185%0.85375%0.748SS**  trans-161.2102132.5-85.30000111.5
66R32.1Very low34Very low237 Ų237122 Ų12289%0.89474%0.735SS**  trans41.799.1133.9-136171.5-176.1151.7-0.4117.3P68R66-P68 WeakPolarHBondContact O-CD 3.21Å
67E32.3Very low34.9Very low174 Ų174121.3 Ų121.381%0.81373%0.728SS**  trans-48.7130.7153.7-98.5163.8104.600111.3
68P34.8Very low35.9Very low116 Ų116117.3 Ų117.375%0.75372%0.718SS**  trans-90.6122138.521.9-5.9000107.7R66 A70R66-P68 WeakPolarHBondContact O-CD 3.21Å; P68-A70 PolarHBondContact O-N 2.9Å
69L33.9Very low37.3Very low165 Ų165116.8 Ų116.886%0.86471%0.708SS**  trans-51.890.5163.9-78.9148.4000109A71L69-A71 PolarHBondContact O-N 3.36Å; L69-A71 VanDerWaalsContact O-N 3.14Å
70A32.8Very low38.7Very low82 Ų82118.7 Ų118.768%0.67871%0.706SS**  trans-67.2106157.600000105P68 E72P68-A70 PolarHBondContact O-N 2.9Å; A70-E72 PolarHBondContact O-N 3.42Å
71A37.6Very low40.1Very low84 Ų84116.1 Ų116.169%0.69469%0.689SS**  trans-60.790.5163.700000107.3L69 L73L69-A71 PolarHBondContact O-N 3.36Å; L69-A71 VanDerWaalsContact O-N 3.14Å; A71-L73 PolarHBondContact O-N 2.98Å
72E36.3Very low42.1Very low175 Ų175112.6 Ų112.682%0.81866%0.658SS**  trans-59.580.5157.1-82.2-92.3140.100107.1A70 G74A70-E72 PolarHBondContact O-N 3.42Å; E72-G74 PolarHBondContact O-N 3.32Å
73L40.3Very low44.3Very low134 Ų134111.9 Ų111.970%0.70264%0.644SS**  trans-66.184.4162.6-92.5149.8000106.6A71 Q77A71-L73 PolarHBondContact O-N 2.98Å; L73-Q77 HydrophobicContact CD2-CB 4.43Å
74G37.8Very low46.8Very low25 Ų25111.6 Ų111.626%0.25864%0.637SS.*  trans-60.3156.9-177.700000112.6E72 A76 Q77E72-G74 PolarHBondContact O-N 3.32Å; G74-A76 PolarHBondContact O-N 3.24Å; G74-Q77 PolarHBondContact O-N 3.29Å
75P51.7Low49Very low100 Ų100110.9 Ų110.965%0.64962%0.622SS**Hα-helixtrans-59-13179.922.5-32.8000114.2R79P75-R79 VanDerWaalsContact O-CG 3.29Å; P75-R79 WeakPolarHBondContact O-CG 3.33Å
76A48.3Very low51.6Low65 Ų65106.3 Ų106.354%0.53759%0.587SS.*Hα-helixtrans-74.4-32.3175.600000113.6G74 R79G74-A76 PolarHBondContact O-N 3.24Å; A76-R79 PolarHBondContact O-N 3.21Å
77Q48.8Very low54.2Low121 Ų12197.5 Ų97.557%0.56556%0.561SS**Hα-helixtrans-76.1-25-179.5-85.5175.6-25.400113L73 G74 P81L73-Q77 HydrophobicContact CD2-CB 4.43Å; G74-Q77 PolarHBondContact O-N 3.29Å; Q77-P81 WeakPolarHBondContact O-CD 3.31Å; Q77-P81 WeakPolarHBondContact O-CG 3.22Å
78A50.8Low57Low59 Ų5993.1 Ų93.149%0.48855%0.548SS..Hα-helixtrans-80.7-20.6173.100000113.4P81 L82A78-P81 WeakPolarHBondContact O-CD 3.23Å; A78-L82 VanDerWaalsContact O-CD1 3.28Å; A78-L82 WeakPolarHBondContact O-CD1 3.23Å; A78-L82 WeakPolarHBondContact O-CG 3.23Å
79R55.3Low59.7Low161 Ų16188.2 Ų88.261%0.60852%0.516SS*.Hα-helixtrans-72.8-43.1178.6-76.3172.8-179.4174.80.2113P75 A76 L82 D83P75-R79 VanDerWaalsContact O-CG 3.29Å; P75-R79 WeakPolarHBondContact O-CG 3.33Å; A76-R79 PolarHBondContact O-N 3.21Å; R79-L82 WeakPolarHBondContact O-CB 3.4Å; R79-L82 PolarHBondContact O-N 3.47Å; R79-L82 VanDerWaalsContact O-N 3.09Å; R79-D83 VanDerWaalsContact O-CG 3.26Å; R79-D83 PolarHBondContact O-N 3.47Å
80L59.3Low62.4Low128 Ų12882.6 Ų82.667%0.6749%0.488SS*.Hα-helixtrans-59.9-40.8-179.1-60.8170.1000114.3L82 S84L80-L82 VanDerWaalsContact C-N 3.35Å; L80-S84 PolarHBondContact O-N 3.28Å
81P68.8Low65.3Low77 Ų7782 Ų8250%0.547%0.474SS..Hα-helixtrans-64.6-34.8172.7-22.431.7000113.9Q77 A78 M85Q77-P81 WeakPolarHBondContact O-CD 3.31Å; Q77-P81 WeakPolarHBondContact O-CG 3.22Å; A78-P81 WeakPolarHBondContact O-CD 3.23Å; P81-M85 WeakPolarHBondContact O-CB 3.45Å; P81-M85 PolarHBondContact O-N 3Å; P81-M85 VanDerWaalsContact O-N 3.09Å
82L69.4Low68Low17 Ų1782 Ų829%0.08946%0.459CS..Hα-helixtrans-74.4-43.6179.9-75.3164.4000111.5A78 R79 L80 S84 M85 F86 L151 L154 V155A78-L82 VanDerWaalsContact O-CD1 3.28Å; A78-L82 WeakPolarHBondContact O-CD1 3.23Å; A78-L82 WeakPolarHBondContact O-CG 3.23Å; R79-L82 WeakPolarHBondContact O-CB 3.4Å; R79-L82 PolarHBondContact O-N 3.47Å; R79-L82 VanDerWaalsContact O-N 3.09Å; L80-L82 VanDerWaalsContact C-N 3.35Å; L82-S84 PolarHBondContact O-N 2.95Å; L82-M85 HydrophobicContact CD2-CE 4.28Å; L82-M85 WeakPolarHBondContact O-CB 3.39Å; L82-M85 PolarHBondContact O-N 2.72Å; L82-F86 HydrophobicContact CD2-CE2 4.3Å; L82-F86 VanDerWaalsContact O-CD2 3.3Å; L82-F86 WeakPolarHBondContact O-CD2 3.44Å; L82-F86 PolarHBondContact O-N 2.78Å; L82-L151 HydrophobicContact CD1-CD1 4.21Å; L82-L151 HydrophobicContact CD2-CD1 3.78Å; L82-L151 HydrophobicContact CG-CD1 4.25Å; L82-L154 HydrophobicContact CD1-CD2 3.24Å; L82-L154 HydrophobicContact CD2-CD2 4.36Å; L82-L154 HydrophobicContact CG-CD2 4.42Å; L82-V155 HydrophobicContact CD2-CG2 3.92Å
83D72.6Confident70.8Confident104 Ų10474.1 Ų74.156%0.55642%0.422SS*.Hα-helixtrans-60.2-38.8176.6-64.5-27.6000110.9R79 S87R79-D83 VanDerWaalsContact O-CG 3.26Å; R79-D83 PolarHBondContact O-N 3.47Å; D83-S87 PolarHBondContact O-N 3.06Å
84S78.6Confident73.4Confident86 Ų8674 Ų7460%0.60141%0.413SS*.Hα-helixtrans-64.2-42.3172.8-175.10000112.5L80 L82 S87L80-S84 PolarHBondContact O-N 3.28Å; L82-S84 PolarHBondContact O-N 2.95Å; S84-S87 WeakPolarHBondContact O-CB 3.49Å; S84-S87 PolarHBondContact O-N 2.91Å
85M77.6Confident76.2Confident96 Ų9678.2 Ų78.247%0.47342%0.422SS..Hα-helixtrans-65.2-40.8177.7-172.1-171.5-49.700112.4P81 L82 V155P81-M85 WeakPolarHBondContact O-CB 3.45Å; P81-M85 PolarHBondContact O-N 3Å; P81-M85 VanDerWaalsContact O-N 3.09Å; L82-M85 HydrophobicContact CD2-CE 4.28Å; L82-M85 WeakPolarHBondContact O-CB 3.39Å; L82-M85 PolarHBondContact O-N 2.72Å; M85-V155 HydrophobicContact SD-CG2 4.1Å
86F84.1Confident78.3Confident27 Ų2773.6 Ų73.612%0.11839%0.392CS..Hα-helixtrans-82.1-13.1179.3-80.5-75.5000113.6L82 I89 T90 V155 L159 I162L82-F86 HydrophobicContact CD2-CE2 4.3Å; L82-F86 VanDerWaalsContact O-CD2 3.3Å; L82-F86 WeakPolarHBondContact O-CD2 3.44Å; L82-F86 PolarHBondContact O-N 2.78Å; F86-I89 HydrophobicContact CD1-CD1 4.12Å; F86-I89 HydrophobicContact CE1-CD1 4.49Å; F86-I89 PolarHBondContact O-N 3.17Å; F86-I89 VanDerWaalsContact O-N 3.17Å; F86-T90 VanDerWaalsContact O-CB 3.31Å; F86-T90 WeakPolarHBondContact O-CB 3.26Å; F86-T90 PolarHBondContact O-N 2.72Å; F86-T90 PolarHBondContact O-OG1 2.87Å; F86-V155 HydrophobicContact CE2-CG2 4.41Å; F86-V155 HydrophobicContact CZ-CB 4.4Å; F86-V155 HydrophobicContact CZ-CG1 4.14Å; F86-L159 HydrophobicContact CD1-CD2 4.5Å; F86-L159 HydrophobicContact CE1-CD2 3.77Å; F86-L159 HydrophobicContact CE1-CG 3.97Å; F86-L159 HydrophobicContact CZ-CG 4.44Å; F86-I162 HydrophobicContact CD1-CD1 3.99Å; F86-I162 HydrophobicContact CE1-CD1 4.31Å
87S87.3Confident80.6Confident51 Ų5171.7 Ų71.736%0.35737%0.372SS..Hα-helixtrans-49.1-57.6-179.3-171.60000113.4D83 S84 I89 T90 D91D83-S87 PolarHBondContact O-N 3.06Å; S84-S87 WeakPolarHBondContact O-CB 3.49Å; S84-S87 PolarHBondContact O-N 2.91Å; S87-I89 VanDerWaalsContact C-N 3.26Å; S87-I89 PolarHBondContact O-N 3.02Å; S87-T90 PolarHBondContact O-N 2.96Å; S87-T90 VanDerWaalsContact O-N 3.11Å; S87-D91 WeakPolarHBondContact O-CB 3.27Å; S87-D91 VanDerWaalsContact O-CG 3.32Å; S87-D91 PolarHBondContact O-N 3.43Å; S87-D91 PolarHBondContact OG-OD2 2.92Å
88P89.9Confident82.8Confident82 Ų8273.5 Ų73.553%0.53237%0.374SS..Hα-helixtrans-63.2-34.9-177.525.2-34.9000112.5Q92P88-Q92 WeakPolarHBondContact O-CB 3.47Å; P88-Q92 PolarHBondContact O-N 3.21Å; P88-Q92 VanDerWaalsContact O-N 3.09Å
89I91.9Very high85Confident14 Ų1474.2 Ų74.27%0.07237%0.366CS..Hα-helixtrans-66.9-43.2177.9-54.3175.5000109.4F86 S87 Q92 L93 Y133 Y136 L137 L159 I162F86-I89 HydrophobicContact CD1-CD1 4.12Å; F86-I89 HydrophobicContact CE1-CD1 4.49Å; F86-I89 PolarHBondContact O-N 3.17Å; F86-I89 VanDerWaalsContact O-N 3.17Å; S87-I89 VanDerWaalsContact C-N 3.26Å; S87-I89 PolarHBondContact O-N 3.02Å; I89-Q92 PolarHBondContact O-N 3.47Å; I89-L93 PolarHBondContact O-N 2.87Å; I89-Y133 HydrophobicContact CG2-CE2 4.16Å; I89-Y133 WeakPolarHBondContact CG2-OH 3.41Å; I89-Y133 PolarHBondContact O-OH 2.78Å; I89-Y136 HydrophobicContact CD1-CE1 3.8Å; I89-Y136 HydrophobicContact CG1-CE1 3.95Å; I89-L137 HydrophobicContact CG2-CD2 3.71Å; I89-L159 HydrophobicContact CD1-CD2 3.66Å; I89-L159 HydrophobicContact CG2-CD2 4.4Å; I89-I162 HydrophobicContact CG2-CD1 3.84Å; I89-I162 HydrophobicContact CG2-CG2 4.39Å
90T91.4Very high86.9Confident47 Ų4766.5 Ų66.529%0.28834%0.337SS..Hα-helixtrans-74.5-34.5-178.4-52.30000111.9F86 S87 Q92 L93 R94F86-T90 VanDerWaalsContact O-CB 3.31Å; F86-T90 WeakPolarHBondContact O-CB 3.26Å; F86-T90 PolarHBondContact O-N 2.72Å; F86-T90 PolarHBondContact O-OG1 2.87Å; S87-T90 PolarHBondContact O-N 2.96Å; S87-T90 VanDerWaalsContact O-N 3.11Å; T90-Q92 VanDerWaalsContact C-N 3.35Å; T90-L93 PolarHBondContact O-N 3.42Å; T90-R94 WeakPolarHBondContact O-CB 3.41Å; T90-R94 WeakPolarHBondContact O-CG 3.28Å; T90-R94 PolarHBondContact O-N 3.42Å
91D93.8Very high88.6Confident70 Ų7063.2 Ų63.237%0.37432%0.32SS..Hα-helixtrans-59.6-46.6170.4-77-48.3000110.7S87 R94 Y95S87-D91 WeakPolarHBondContact O-CB 3.27Å; S87-D91 VanDerWaalsContact O-CG 3.32Å; S87-D91 PolarHBondContact O-N 3.43Å; S87-D91 PolarHBondContact OG-OD2 2.92Å; D91-R94 PolarHBondContact O-N 3.21Å; D91-R94 IonicContact OD1-CZ 3.45Å; D91-R94 IonicContact OD1-NH1 2.66Å; D91-R94 PolarHBondContact OD1-NH1 2.89Å; D91-R94 IonicContact OD1-NH2 3.41Å; D91-R94 PolarHBondContact OD1-NH2 3.26Å; D91-Y95 PolarHBondContact O-N 2.59Å
92Q93.6Very high89.7Confident84 Ų8461.9 Ų61.939%0.39331%0.308SS..Hα-helixtrans-65.3-41.2176.7-1726510.300112.1P88 I89 T90 R94 Y95 L96 Y133P88-Q92 WeakPolarHBondContact O-CB 3.47Å; P88-Q92 PolarHBondContact O-N 3.21Å; P88-Q92 VanDerWaalsContact O-N 3.09Å; I89-Q92 PolarHBondContact O-N 3.47Å; T90-Q92 VanDerWaalsContact C-N 3.35Å; Q92-R94 PolarHBondContact O-N 3.25Å; Q92-Y95 WeakPolarHBondContact O-CB 3.4Å; Q92-Y95 PolarHBondContact O-N 3.49Å; Q92-L96 WeakPolarHBondContact O-CG 3.46Å; Q92-L96 PolarHBondContact O-N 3.15Å; Q92-Y133 HydrophobicContact CB-CD2 4.2Å; Q92-Y133 HydrophobicContact CB-CE2 3.73Å; Q92-Y133 HydrophobicContact CG-CD2 3.54Å; Q92-Y133 HydrophobicContact CG-CE2 3.6Å; Q92-Y133 HydrophobicContact CG-CG 4.31Å
93L94.8Very high90.9Very high8 Ų862.1 Ų62.14%0.04231%0.309CS..Hα-helixtrans-57-50.7172.3177.666.6000110.5I89 T90 Y95 L96 L97 Y133 I162 L166I89-L93 PolarHBondContact O-N 2.87Å; T90-L93 PolarHBondContact O-N 3.42Å; L93-Y95 VanDerWaalsContact C-N 3.27Å; L93-Y95 PolarHBondContact O-N 3.47Å; L93-L96 PolarHBondContact O-N 2.88Å; L93-L96 VanDerWaalsContact O-N 3.12Å; L93-L97 HydrophobicContact CD1-CD1 3.94Å; L93-L97 HydrophobicContact CD1-CD2 4.28Å; L93-L97 HydrophobicContact CD1-CG 3.88Å; L93-L97 HydrophobicContact CD2-CD1 4.12Å; L93-L97 HydrophobicContact CG-CD1 3.71Å; L93-L97 HydrophobicContact CG-CG 4.04Å; L93-L97 WeakPolarHBondContact O-CB 3.3Å; L93-L97 VanDerWaalsContact O-CG 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.42Å; L93-L97 PolarHBondContact O-N 3.33Å; L93-Y133 HydrophobicContact CB-CE1 4.48Å; L93-Y133 WeakPolarHBondContact CB-OH 3.49Å; L93-Y133 HydrophobicContact CD1-CE1 4.41Å; L93-I162 HydrophobicContact CB-CG2 4.34Å; L93-I162 HydrophobicContact CD1-CG2 4.22Å; L93-I162 HydrophobicContact CD2-CG1 4.37Å; L93-I162 HydrophobicContact CD2-CG2 4.09Å; L93-I162 HydrophobicContact CG-CG2 4.42Å; L93-L166 HydrophobicContact CD1-CB 3.99Å
94R95.4Very high91.9Very high133 Ų13359.9 Ų59.950%0.50230%0.295SS..Hα-helixtrans-57.9-40.1179.4-83.7-174.2-87.4111-4.4112T90 D91 Q92 R98T90-R94 WeakPolarHBondContact O-CB 3.41Å; T90-R94 WeakPolarHBondContact O-CG 3.28Å; T90-R94 PolarHBondContact O-N 3.42Å; D91-R94 PolarHBondContact O-N 3.21Å; D91-R94 IonicContact OD1-CZ 3.45Å; D91-R94 IonicContact OD1-NH1 2.66Å; D91-R94 PolarHBondContact OD1-NH1 2.89Å; D91-R94 IonicContact OD1-NH2 3.41Å; D91-R94 PolarHBondContact OD1-NH2 3.26Å; Q92-R94 PolarHBondContact O-N 3.25Å; R94-R98 WeakPolarHBondContact O-CB 3.36Å; R94-R98 PolarHBondContact O-N 2.9Å
95Y95.9Very high92.5Very high113 Ų11358.2 Ų58.244%0.44328%0.283SS..Hα-helixtrans-60.3-49.7174172.5-94.6000111.9D91 Q92 L93 R98 K99D91-Y95 PolarHBondContact O-N 2.59Å; Q92-Y95 WeakPolarHBondContact O-CB 3.4Å; Q92-Y95 PolarHBondContact O-N 3.49Å; L93-Y95 VanDerWaalsContact C-N 3.27Å; L93-Y95 PolarHBondContact O-N 3.47Å; Y95-R98 PolarHBondContact O-N 2.87Å; Y95-K99 HydrophobicContact CE1-CG 4.1Å; Y95-K99 HydrophobicContact CE2-CG 4.47Å; Y95-K99 WeakPolarHBondContact O-CG 3.32Å; Y95-K99 PolarHBondContact O-N 3.39Å; Y95-K99 VanDerWaalsContact OH-CE 3.27Å; Y95-K99 WeakPolarHBondContact OH-CE 3.38Å
96L96.3Very high93.1Very high3 Ų360.2 Ų60.22%0.01629%0.287CS..Hα-helixtrans-65.4-42.4-179.6-67.4175.9000112.2Q92 L93 R98 K99 A100 F126 Y133 L166Q92-L96 WeakPolarHBondContact O-CG 3.46Å; Q92-L96 PolarHBondContact O-N 3.15Å; L93-L96 PolarHBondContact O-N 2.88Å; L93-L96 VanDerWaalsContact O-N 3.12Å; L96-R98 VanDerWaalsContact C-N 3.33Å; L96-R98 PolarHBondContact O-N 2.81Å; L96-K99 WeakPolarHBondContact O-CB 3.01Å; L96-K99 PolarHBondContact O-N 3.34Å; L96-A100 PolarHBondContact O-N 2.98Å; L96-F126 HydrophobicContact CD2-CE2 4.48Å; L96-Y133 HydrophobicContact CD1-CD1 3.58Å; L96-Y133 HydrophobicContact CD1-CE1 4.15Å; L96-Y133 HydrophobicContact CD1-CG 3.82Å; L96-L166 HydrophobicContact CB-CD1 4.09Å; L96-L166 HydrophobicContact CD1-CD2 3.84Å
97L96.4Very high93.4Very high25 Ų2558.9 Ų58.913%0.13128%0.281CS..Hα-helixtrans-63-41.3174.9-67179.2000111.2L93 K99 A100 D101 L166 R169L93-L97 HydrophobicContact CD1-CD1 3.94Å; L93-L97 HydrophobicContact CD1-CD2 4.28Å; L93-L97 HydrophobicContact CD1-CG 3.88Å; L93-L97 HydrophobicContact CD2-CD1 4.12Å; L93-L97 HydrophobicContact CG-CD1 3.71Å; L93-L97 HydrophobicContact CG-CG 4.04Å; L93-L97 WeakPolarHBondContact O-CB 3.3Å; L93-L97 VanDerWaalsContact O-CG 3.3Å; L93-L97 WeakPolarHBondContact O-CG 3.42Å; L93-L97 PolarHBondContact O-N 3.33Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-K99 PolarHBondContact O-N 3.06Å; L97-A100 WeakPolarHBondContact O-CB 3.45Å; L97-A100 PolarHBondContact O-N 2.98Å; L97-A100 VanDerWaalsContact O-N 3.13Å; L97-D101 VanDerWaalsContact O-CG 3.24Å; L97-D101 PolarHBondContact O-N 2.89Å; L97-L166 HydrophobicContact CD2-CD1 4.28Å; L97-R169 HydrophobicContact CD2-CB 3.77Å; L97-R169 HydrophobicContact CD2-CG 3.7Å
98R96.3Very high93.4Very high158 Ų15860.2 Ų60.260%0.59628%0.283SS*.Hα-helixtrans-61.7-40.6175.7-17859.3-176.6-154.7-2.1111.7R94 Y95 L96 D101 D102R94-R98 WeakPolarHBondContact O-CB 3.36Å; R94-R98 PolarHBondContact O-N 2.9Å; Y95-R98 PolarHBondContact O-N 2.87Å; L96-R98 VanDerWaalsContact C-N 3.33Å; L96-R98 PolarHBondContact O-N 2.81Å; R98-D101 WeakPolarHBondContact O-CB 3.46Å; R98-D101 PolarHBondContact O-N 3.38Å; R98-D102 IonicContact NE-OD1 3.33Å; R98-D102 PolarHBondContact NE-OD1 3.04Å; R98-D102 VanDerWaalsContact O-CG 3.23Å; R98-D102 PolarHBondContact O-N 3.12Å
99K95.3Very high93.3Very high74 Ų7465.1 Ų65.132%0.32229%0.293SS..Hα-helixtrans-61-45.2172.9-70.8-64.1-174.4-176.20111.4Y95 L96 L97 D101 D102 F103 F126Y95-K99 HydrophobicContact CE1-CG 4.1Å; Y95-K99 HydrophobicContact CE2-CG 4.47Å; Y95-K99 WeakPolarHBondContact O-CG 3.32Å; Y95-K99 PolarHBondContact O-N 3.39Å; Y95-K99 VanDerWaalsContact OH-CE 3.27Å; Y95-K99 WeakPolarHBondContact OH-CE 3.38Å; L96-K99 WeakPolarHBondContact O-CB 3.01Å; L96-K99 PolarHBondContact O-N 3.34Å; L97-K99 VanDerWaalsContact C-N 3.3Å; L97-K99 PolarHBondContact O-N 3.06Å; K99-D101 VanDerWaalsContact C-N 3.28Å; K99-D101 PolarHBondContact O-N 3.32Å; K99-D102 WeakPolarHBondContact O-CB 3.13Å; K99-D102 PolarHBondContact O-N 3.28Å; K99-F103 VanDerWaalsContact O-CD2 3.3Å; K99-F103 WeakPolarHBondContact O-CD2 3.45Å; K99-F103 PolarHBondContact O-N 3.14Å; K99-F126 HydrophobicContact CB-CD2 4.42Å; K99-F126 HydrophobicContact CB-CE2 3.55Å; K99-F126 HydrophobicContact CB-CZ 3.89Å; K99-F126 HydrophobicContact CG-CE2 4.44Å
100A95.6Very high93Very high0 Ų065.4 Ų65.40%030%0.296CS..Hα-helixtrans-59.7-38.3174.900000112.4L96 L97 F103 Q104 F126 R169 L173L96-A100 PolarHBondContact O-N 2.98Å; L97-A100 WeakPolarHBondContact O-CB 3.45Å; L97-A100 PolarHBondContact O-N 2.98Å; L97-A100 VanDerWaalsContact O-N 3.13Å; A100-F103 WeakPolarHBondContact O-CB 3.38Å; A100-F103 PolarHBondContact O-N 3.28Å; A100-Q104 PolarHBondContact O-N 3.02Å; A100-F126 HydrophobicContact CB-CE1 4.09Å; A100-F126 HydrophobicContact CB-CZ 4.14Å; A100-R169 HydrophobicContact CB-CG 3.95Å; A100-L173 HydrophobicContact CB-CD2 4.07Å
101D95.1Very high92.6Very high59 Ų5975.1 Ų75.132%0.31633%0.327SS..Hα-helixtrans-65.9-39.5175.2-64.4-18.6000112.4L97 R98 K99 Q104 S105 R169L97-D101 VanDerWaalsContact O-CG 3.24Å; L97-D101 PolarHBondContact O-N 2.89Å; R98-D101 WeakPolarHBondContact O-CB 3.46Å; R98-D101 PolarHBondContact O-N 3.38Å; K99-D101 VanDerWaalsContact C-N 3.28Å; K99-D101 PolarHBondContact O-N 3.32Å; D101-Q104 PolarHBondContact O-N 3.45Å; D101-S105 VanDerWaalsContact O-CB 3.32Å; D101-S105 WeakPolarHBondContact O-CB 3.42Å; D101-S105 PolarHBondContact O-N 3.27Å; D101-S105 PolarHBondContact O-OG 3.17Å; D101-R169 IonicContact OD1-CZ 3.48Å; D101-R169 IonicContact OD1-NE 3.93Å; D101-R169 PolarHBondContact OD1-NE 3.29Å; D101-R169 IonicContact OD1-NH2 3.51Å; D101-R169 PolarHBondContact OD1-NH2 3.36Å
102D93.1Very high92.3Very high48 Ų4875 Ų7526%0.25733%0.326SS..Hα-helixtrans-61.7-47.4174-63.3-23.8000109.2R98 K99 Q104 S105 Y106R98-D102 IonicContact NE-OD1 3.33Å; R98-D102 PolarHBondContact NE-OD1 3.04Å; R98-D102 VanDerWaalsContact O-CG 3.23Å; R98-D102 PolarHBondContact O-N 3.12Å; K99-D102 WeakPolarHBondContact O-CB 3.13Å; K99-D102 PolarHBondContact O-N 3.28Å; D102-Q104 VanDerWaalsContact C-N 3.31Å; D102-Q104 PolarHBondContact O-N 3.35Å; D102-S105 PolarHBondContact O-N 3.4Å; D102-S105 VanDerWaalsContact O-N 3.16Å; D102-Y106 HydrophobicContact CB-CE2 4.49Å; D102-Y106 WeakPolarHBondContact O-CD2 3.33Å; D102-Y106 PolarHBondContact O-N 3.48Å
103F93.4Very high91.9Very high23 Ų2379.3 Ų79.310%0.10134%0.339CS..Hα-helixtrans-56.6-43.3175.3-90.5-106.2000112.4K99 A100 L107 L119 A122 M123 F126 L173 Y177K99-F103 VanDerWaalsContact O-CD2 3.3Å; K99-F103 WeakPolarHBondContact O-CD2 3.45Å; K99-F103 PolarHBondContact O-N 3.14Å; A100-F103 WeakPolarHBondContact O-CB 3.38Å; A100-F103 PolarHBondContact O-N 3.28Å; F103-L107 PolarHBondContact O-N 2.89Å; F103-L119 HydrophobicContact CD1-CD1 3.66Å; F103-L119 HydrophobicContact CD1-CD2 4.23Å; F103-L119 HydrophobicContact CD1-CG 3.63Å; F103-L119 HydrophobicContact CD2-CD1 4.35Å; F103-L119 HydrophobicContact CE1-CD1 3.43Å; F103-L119 VanDerWaalsContact CE1-CD1 3.43Å; F103-L119 HydrophobicContact CE1-CG 3.78Å; F103-L119 WeakPolarHBondContact CE1-O 3.32Å; F103-L119 HydrophobicContact CE2-CD1 4.18Å; F103-L119 HydrophobicContact CG-CD1 4.13Å; F103-L119 HydrophobicContact CG-CD2 4.5Å; F103-L119 HydrophobicContact CG-CG 4.3Å; F103-L119 HydrophobicContact CZ-CD1 3.72Å; F103-A122 HydrophobicContact CE1-CB 4.3Å; F103-A122 HydrophobicContact CZ-CB 4.16Å; F103-M123 HydrophobicContact CD1-CE 3.9Å; F103-M123 HydrophobicContact CD1-SD 4.32Å; F103-M123 HydrophobicContact CE1-CE 4.4Å; F103-M123 HydrophobicContact CE1-SD 4.43Å; F103-F126 HydrophobicContact CE1-CB 4.44Å; F103-F126 HydrophobicContact CE2-CB 4.14Å; F103-F126 HydrophobicContact CE2-CD1 4.35Å; F103-F126 HydrophobicContact CE2-CD2 4.33Å; F103-F126 HydrophobicContact CE2-CG 4.01Å; F103-F126 HydrophobicContact CZ-CB 3.78Å; F103-F126 HydrophobicContact CZ-CG 4.14Å; F103-L173 HydrophobicContact CB-CD1 3.95Å; F103-L173 HydrophobicContact CB-CD2 3.91Å; F103-L173 HydrophobicContact CG-CD2 4.36Å; F103-Y177 PolarHBondContact O-OH 2.81Å
104Q93.8Very high91.4Very high56 Ų5683 Ų8326%0.26236%0.362SS..Hα-helixtrans-65.6-44.6176.4171.1169-12.300111.9A100 D101 D102 Y106 L107 L108 R169 L173 M176A100-Q104 PolarHBondContact O-N 3.02Å; D101-Q104 PolarHBondContact O-N 3.45Å; D102-Q104 VanDerWaalsContact C-N 3.31Å; D102-Q104 PolarHBondContact O-N 3.35Å; Q104-Y106 PolarHBondContact O-N 3.48Å; Q104-L107 WeakPolarHBondContact O-CB 3.49Å; Q104-L107 PolarHBondContact O-N 2.96Å; Q104-L108 HydrophobicContact CG-CD1 3.8Å; Q104-L108 HydrophobicContact CG-CG 4.37Å; Q104-L108 WeakPolarHBondContact O-CG 3.16Å; Q104-L108 PolarHBondContact O-N 3.41Å; Q104-R169 VanDerWaalsContact OE1-CZ 3.22Å; Q104-L173 HydrophobicContact CB-CD1 4.2Å; Q104-M176 HydrophobicContact CB-CE 3.6Å; Q104-M176 HydrophobicContact CG-CE 3.5Å; Q104-M176 VanDerWaalsContact CG-CE 3.5Å; Q104-M176 HydrophobicContact CG-SD 3.97Å
105S91.9Very high90.8Very high51 Ų5181.7 Ų81.736%0.35736%0.361SS..Hα-helixtrans-62.7-43.5-178.4-60.10000111.1D101 D102 L107 L108 Y109D101-S105 VanDerWaalsContact O-CB 3.32Å; D101-S105 WeakPolarHBondContact O-CB 3.42Å; D101-S105 PolarHBondContact O-N 3.27Å; D101-S105 PolarHBondContact O-OG 3.17Å; D102-S105 PolarHBondContact O-N 3.4Å; D102-S105 VanDerWaalsContact O-N 3.16Å; S105-L107 VanDerWaalsContact C-N 3.34Å; S105-L107 PolarHBondContact O-N 3.33Å; S105-L108 PolarHBondContact O-N 2.94Å; S105-Y109 WeakPolarHBondContact O-CB 3.48Å; S105-Y109 VanDerWaalsContact O-CD2 3.22Å; S105-Y109 WeakPolarHBondContact O-CD2 3.44Å; S105-Y109 PolarHBondContact O-N 2.84Å
106Y89.7Confident90.4Very high138 Ų13877.9 Ų77.954%0.54135%0.347SS..Hα-helixtrans-62-40.8175.1-81.3-68000112.4D102 Q104 L108 S110 L119D102-Y106 HydrophobicContact CB-CE2 4.49Å; D102-Y106 WeakPolarHBondContact O-CD2 3.33Å; D102-Y106 PolarHBondContact O-N 3.48Å; Q104-Y106 PolarHBondContact O-N 3.48Å; Y106-L108 PolarHBondContact O-N 3.19Å; Y106-S110 WeakPolarHBondContact O-CB 3.35Å; Y106-S110 PolarHBondContact O-N 3.46Å; Y106-L119 HydrophobicContact CD2-CD2 4.11Å; Y106-L119 HydrophobicContact CG-CD2 3.92Å
107L90Very high90Very high0 Ų080.9 Ų80.90%036%0.361CS..Hα-helixtrans-61.7-45.2177.5-176.168.7000112.2F103 Q104 S105 K116 M176 Y177 F180 F182F103-L107 PolarHBondContact O-N 2.89Å; Q104-L107 WeakPolarHBondContact O-CB 3.49Å; Q104-L107 PolarHBondContact O-N 2.96Å; S105-L107 VanDerWaalsContact C-N 3.34Å; S105-L107 PolarHBondContact O-N 3.33Å; L107-K116 HydrophobicContact CD1-CD 4.39Å; L107-K116 WeakPolarHBondContact O-CE 3.33Å; L107-K116 PolarHBondContact O-NZ 3.22Å; L107-M176 HydrophobicContact CD2-CB 4.48Å; L107-M176 HydrophobicContact CD2-CE 3.49Å; L107-M176 VanDerWaalsContact CD2-CE 3.49Å; L107-M176 HydrophobicContact CD2-CG 3.65Å; L107-M176 HydrophobicContact CD2-SD 4Å; L107-Y177 HydrophobicContact CB-CE2 3.94Å; L107-Y177 HydrophobicContact CD1-CD1 4.09Å; L107-Y177 HydrophobicContact CD1-CE1 3.89Å; L107-Y177 HydrophobicContact CD1-CE2 4.36Å; L107-Y177 HydrophobicContact CD1-CG 4.42Å; L107-Y177 HydrophobicContact CD2-CD2 3.67Å; L107-Y177 HydrophobicContact CD2-CE2 3.72Å; L107-Y177 HydrophobicContact CD2-CG 4.13Å; L107-Y177 HydrophobicContact CG-CE2 4.23Å; L107-F180 HydrophobicContact CD1-CB 4.49Å; L107-F180 HydrophobicContact CD1-CD2 4.15Å; L107-F180 HydrophobicContact CD1-CG 4.33Å; L107-F180 HydrophobicContact CD2-CD2 3.61Å; L107-F180 HydrophobicContact CD2-CE2 3.76Å; L107-F180 HydrophobicContact CG-CD2 4Å; L107-F180 HydrophobicContact CG-CE2 4.11Å; L107-F182 HydrophobicContact CD1-CD2 3.66Å; L107-F182 HydrophobicContact CD1-CE2 3.68Å
108L88.9Confident89.6Confident78 Ų7885 Ų8541%0.40838%0.379SS..Hα-helixtrans-79.6-40.1-174.2-64.8177.5000112.9Q104 S105 Y106 M176 F180Q104-L108 HydrophobicContact CG-CD1 3.8Å; Q104-L108 HydrophobicContact CG-CG 4.37Å; Q104-L108 WeakPolarHBondContact O-CG 3.16Å; Q104-L108 PolarHBondContact O-N 3.41Å; S105-L108 PolarHBondContact O-N 2.94Å; Y106-L108 PolarHBondContact O-N 3.19Å; L108-M176 HydrophobicContact CD2-SD 4.47Å; L108-F180 HydrophobicContact CD2-CE2 4.34Å; L108-F180 HydrophobicContact CD2-CZ 4.14Å
109Y87.3Confident89.2Confident186 Ų18679 Ų7973%0.72936%0.359SS*.Hα-helixtrans-102-19.9-171.2-59.8-66.3000114.5S105 R111S105-Y109 WeakPolarHBondContact O-CB 3.48Å; S105-Y109 VanDerWaalsContact O-CD2 3.22Å; S105-Y109 WeakPolarHBondContact O-CD2 3.44Å; S105-Y109 PolarHBondContact O-N 2.84Å; Y109-R111 PolarHBondContact O-N 2.77Å
110S85.8Confident88.9Confident19 Ų1975.8 Ų75.813%0.13335%0.346CS..  trans-67138174.2-175.60000110.2Y106 D112 Q115 K116Y106-S110 WeakPolarHBondContact O-CB 3.35Å; Y106-S110 PolarHBondContact O-N 3.46Å; S110-D112 PolarHBondContact OG-N 2.78Å; S110-Q115 PolarHBondContact OG-OE1 2.74Å; S110-K116 WeakPolarHBondContact O-CE 3.41Å; S110-K116 PolarHBondContact O-NZ 2.77Å
111R83.1Confident88.7Confident252 Ų25282.4 Ų82.495%0.95138%0.375SS*.  trans-92.6-15.6170.5-66.8-174.4178-177.2-0.4112.2Y109Y109-R111 PolarHBondContact O-N 2.77Å
112D87.5Confident88.5Confident67 Ų6781.3 Ų81.336%0.35837%0.374SS..  trans-87.7114.6-176.6-176.53.3000110.6S110 V114 Q115 K116S110-D112 PolarHBondContact OG-N 2.78Å; D112-V114 VanDerWaalsContact C-N 3.28Å; D112-V114 PolarHBondContact O-N 3.46Å; D112-V114 WeakPolarHBondContact OD1-CB 3.49Å; D112-V114 PolarHBondContact OD1-N 3.26Å; D112-Q115 HydrophobicContact CB-CB 4.14Å; D112-Q115 HydrophobicContact CB-CG 4.08Å; D112-Q115 PolarHBondContact O-N 2.96Å; D112-Q115 WeakPolarHBondContact OD2-CG 3.45Å; D112-K116 WeakPolarHBondContact O-CG 3.29Å; D112-K116 PolarHBondContact O-N 3.42Å
113R84.8Confident88.5Confident175 Ų17579 Ų7966%0.6636%0.362SS*.Hα-helixtrans-62.8-35.2176.9-176.4177.6172.3165.46.5111.9Q115 K116 E117 F182R113-Q115 PolarHBondContact O-N 3.03Å; R113-K116 PolarHBondContact O-N 3.26Å; R113-E117 HydrophobicContact CG-CG 4.49Å; R113-E117 IonicContact CZ-OE1 3.66Å; R113-E117 IonicContact NE-OE1 3.79Å; R113-E117 PolarHBondContact NE-OE1 2.93Å; R113-E117 IonicContact NH2-OE1 3.63Å; R113-E117 WeakPolarHBondContact O-CG 3.44Å; R113-E117 PolarHBondContact O-N 3.03Å; R113-F182 HydrophobicContact CG-CE1 4.28Å
114V84.4Confident88.5Confident85 Ų8580.6 Ų80.652%0.51538%0.375SS..Hα-helixtrans-64.7-43.6-179.3-179.40000110D112 K116 E117 Q118D112-V114 VanDerWaalsContact C-N 3.28Å; D112-V114 PolarHBondContact O-N 3.46Å; D112-V114 WeakPolarHBondContact OD1-CB 3.49Å; D112-V114 PolarHBondContact OD1-N 3.26Å; V114-K116 VanDerWaalsContact C-N 3.33Å; V114-K116 PolarHBondContact O-N 3.06Å; V114-E117 PolarHBondContact O-N 2.93Å; V114-Q118 HydrophobicContact CG1-CG 4.43Å; V114-Q118 VanDerWaalsContact O-CG 3.3Å; V114-Q118 WeakPolarHBondContact O-CG 3.33Å; V114-Q118 PolarHBondContact O-N 3.45Å
115Q82.5Confident88.5Confident105 Ų10582.2 Ų82.249%0.49139%0.388SS..Hα-helixtrans-61-40.2175-75176.40.500112.6S110 D112 R113 Q118 L119S110-Q115 PolarHBondContact OG-OE1 2.74Å; D112-Q115 HydrophobicContact CB-CB 4.14Å; D112-Q115 HydrophobicContact CB-CG 4.08Å; D112-Q115 PolarHBondContact O-N 2.96Å; D112-Q115 WeakPolarHBondContact OD2-CG 3.45Å; R113-Q115 PolarHBondContact O-N 3.03Å; Q115-Q118 PolarHBondContact O-N 3.38Å; Q115-L119 WeakPolarHBondContact O-CB 3.43Å; Q115-L119 PolarHBondContact O-N 3.36Å
116K87.3Confident88.6Confident33 Ų3380 Ų8014%0.14337%0.373CS..Hα-helixtrans-63.8-41.9176.4-65.2-178.2-172-162.70112.1L107 S110 D112 R113 V114 L119 A120 F182L107-K116 HydrophobicContact CD1-CD 4.39Å; L107-K116 WeakPolarHBondContact O-CE 3.33Å; L107-K116 PolarHBondContact O-NZ 3.22Å; S110-K116 WeakPolarHBondContact O-CE 3.41Å; S110-K116 PolarHBondContact O-NZ 2.77Å; D112-K116 WeakPolarHBondContact O-CG 3.29Å; D112-K116 PolarHBondContact O-N 3.42Å; R113-K116 PolarHBondContact O-N 3.26Å; V114-K116 VanDerWaalsContact C-N 3.33Å; V114-K116 PolarHBondContact O-N 3.06Å; K116-L119 PolarHBondContact O-N 2.97Å; K116-A120 WeakPolarHBondContact O-CB 3.36Å; K116-A120 PolarHBondContact O-N 2.84Å; K116-F182 HydrophobicContact CB-CD2 4.48Å; K116-F182 HydrophobicContact CB-CE1 3.95Å; K116-F182 HydrophobicContact CB-CE2 3.88Å; K116-F182 HydrophobicContact CB-CZ 3.59Å; K116-F182 HydrophobicContact CD-CE2 3.9Å; K116-F182 HydrophobicContact CD-CZ 3.79Å; K116-F182 HydrophobicContact CG-CE2 4.47Å; K116-F182 HydrophobicContact CG-CZ 4.33Å
117E88Confident88.9Confident67 Ų6774.1 Ų74.131%0.31335%0.35SS..Hα-helixtrans-67-40.3176.6-72.9174.8-170.600112.1R113 V114 L119 A120 K121 F182R113-E117 HydrophobicContact CG-CG 4.49Å; R113-E117 IonicContact CZ-OE1 3.66Å; R113-E117 IonicContact NE-OE1 3.79Å; R113-E117 PolarHBondContact NE-OE1 2.93Å; R113-E117 IonicContact NH2-OE1 3.63Å; R113-E117 WeakPolarHBondContact O-CG 3.44Å; R113-E117 PolarHBondContact O-N 3.03Å; V114-E117 PolarHBondContact O-N 2.93Å; E117-L119 VanDerWaalsContact C-N 3.32Å; E117-L119 PolarHBondContact O-N 3.18Å; E117-A120 PolarHBondContact O-N 3.04Å; E117-K121 WeakPolarHBondContact O-CG 3.37Å; E117-K121 PolarHBondContact O-N 3Å; E117-F182 HydrophobicContact CG-CD1 3.72Å; E117-F182 HydrophobicContact CG-CE1 3.72Å
118Q88Confident89.2Confident110 Ų11077.7 Ų77.751%0.51437%0.372SS..Hα-helixtrans-64.4-39175-67.9-60.6-17.400111.8V114 Q115 K121 A122V114-Q118 HydrophobicContact CG1-CG 4.43Å; V114-Q118 VanDerWaalsContact O-CG 3.3Å; V114-Q118 WeakPolarHBondContact O-CG 3.33Å; V114-Q118 PolarHBondContact O-N 3.45Å; Q115-Q118 PolarHBondContact O-N 3.38Å; Q118-K121 WeakPolarHBondContact O-CB 3.12Å; Q118-K121 PolarHBondContact O-N 3.14Å; Q118-A122 PolarHBondContact O-N 2.75Å; Q118-A122 VanDerWaalsContact O-N 3.14Å
119L87.5Confident89.5Confident32 Ų3279.1 Ų79.117%0.16838%0.378CS..Hα-helixtrans-70.6-35.4177.4-167.459.2000112F103 Y106 Q115 K116 E117 K121 A122 M123 Y177F103-L119 HydrophobicContact CD1-CD1 3.66Å; F103-L119 HydrophobicContact CD1-CD2 4.23Å; F103-L119 HydrophobicContact CD1-CG 3.63Å; F103-L119 HydrophobicContact CD2-CD1 4.35Å; F103-L119 HydrophobicContact CE1-CD1 3.43Å; F103-L119 VanDerWaalsContact CE1-CD1 3.43Å; F103-L119 HydrophobicContact CE1-CG 3.78Å; F103-L119 WeakPolarHBondContact CE1-O 3.32Å; F103-L119 HydrophobicContact CE2-CD1 4.18Å; F103-L119 HydrophobicContact CG-CD1 4.13Å; F103-L119 HydrophobicContact CG-CD2 4.5Å; F103-L119 HydrophobicContact CG-CG 4.3Å; F103-L119 HydrophobicContact CZ-CD1 3.72Å; Y106-L119 HydrophobicContact CD2-CD2 4.11Å; Y106-L119 HydrophobicContact CG-CD2 3.92Å; Q115-L119 WeakPolarHBondContact O-CB 3.43Å; Q115-L119 PolarHBondContact O-N 3.36Å; K116-L119 PolarHBondContact O-N 2.97Å; E117-L119 VanDerWaalsContact C-N 3.32Å; E117-L119 PolarHBondContact O-N 3.18Å; L119-K121 VanDerWaalsContact C-N 3.3Å; L119-K121 PolarHBondContact O-N 3.34Å; L119-A122 WeakPolarHBondContact O-CA 3.1Å; L119-A122 WeakPolarHBondContact O-CB 3.49Å; L119-A122 PolarHBondContact O-N 2.82Å; L119-M123 PolarHBondContact O-N 2.82Å; L119-Y177 WeakPolarHBondContact CD2-OH 3.37Å; L119-Y177 WeakPolarHBondContact CG-OH 3.22Å
120A89.7Confident89.9Confident7 Ų770.2 Ų70.26%0.05834%0.343CS..Hα-helixtrans-60.9-39.7170.800000111.9K116 E117 A122 M123 Y177 F182 V183K116-A120 WeakPolarHBondContact O-CB 3.36Å; K116-A120 PolarHBondContact O-N 2.84Å; E117-A120 PolarHBondContact O-N 3.04Å; A120-A122 PolarHBondContact O-N 3.34Å; A120-M123 WeakPolarHBondContact O-CB 3.19Å; A120-M123 PolarHBondContact O-N 3.4Å; A120-Y177 HydrophobicContact CB-CD1 3.87Å; A120-Y177 HydrophobicContact CB-CE1 4.12Å; A120-F182 HydrophobicContact CB-CB 3.67Å; A120-V183 HydrophobicContact CB-CG2 4.2Å
121K90.1Very high90.5Very high139 Ų13972.7 Ų72.760%0.60435%0.353SS*.Hα-helixtrans-65-24.5172.5-70174-176.9176.90113.4E117 Q118 L119 M123 P124E117-K121 WeakPolarHBondContact O-CG 3.37Å; E117-K121 PolarHBondContact O-N 3Å; Q118-K121 WeakPolarHBondContact O-CB 3.12Å; Q118-K121 PolarHBondContact O-N 3.14Å; L119-K121 VanDerWaalsContact C-N 3.3Å; L119-K121 PolarHBondContact O-N 3.34Å; K121-M123 VanDerWaalsContact C-N 3.34Å; K121-P124 WeakPolarHBondContact O-CD 3.24Å
122A92.4Very high91.1Very high36 Ų3664.9 Ų64.930%0.29833%0.334SS..Hα-helixtrans-82.9-1017400000113.3F103 Q118 L119 A120 T125 F126F103-A122 HydrophobicContact CE1-CB 4.3Å; F103-A122 HydrophobicContact CZ-CB 4.16Å; Q118-A122 PolarHBondContact O-N 2.75Å; Q118-A122 VanDerWaalsContact O-N 3.14Å; L119-A122 WeakPolarHBondContact O-CA 3.1Å; L119-A122 WeakPolarHBondContact O-CB 3.49Å; L119-A122 PolarHBondContact O-N 2.82Å; A120-A122 PolarHBondContact O-N 3.34Å; A122-T125 WeakPolarHBondContact O-CB 3.43Å; A122-T125 PolarHBondContact O-N 3.31Å; A122-F126 PolarHBondContact O-N 3.22Å
123M92.7Very high91.5Very high0 Ų062.6 Ų62.60%032%0.321CS..Hα-helixtrans-60.4-48.8-178.8-170.669.471.700113.1F103 L119 A120 K121 T125 F126 L127 L173 V174 Y177 I193F103-M123 HydrophobicContact CD1-CE 3.9Å; F103-M123 HydrophobicContact CD1-SD 4.32Å; F103-M123 HydrophobicContact CE1-CE 4.4Å; F103-M123 HydrophobicContact CE1-SD 4.43Å; L119-M123 PolarHBondContact O-N 2.82Å; A120-M123 WeakPolarHBondContact O-CB 3.19Å; A120-M123 PolarHBondContact O-N 3.4Å; K121-M123 VanDerWaalsContact C-N 3.34Å; M123-T125 VanDerWaalsContact C-N 3.28Å; M123-T125 PolarHBondContact O-N 3.23Å; M123-F126 PolarHBondContact O-N 3.41Å; M123-F126 VanDerWaalsContact O-N 3.14Å; M123-F126 HydrophobicContact SD-CD1 4.49Å; M123-L127 HydrophobicContact CG-CD1 4.46Å; M123-L127 WeakPolarHBondContact O-CG 3.49Å; M123-L127 PolarHBondContact O-N 2.95Å; M123-L173 HydrophobicContact CE-CD1 4.35Å; M123-L173 HydrophobicContact CE-CD2 3.96Å; M123-L173 HydrophobicContact CE-CG 3.73Å; M123-L173 HydrophobicContact SD-CD2 3.8Å; M123-L173 HydrophobicContact SD-CG 4.07Å; M123-V174 HydrophobicContact CG-CG2 4.17Å; M123-V174 HydrophobicContact SD-CG2 4.21Å; M123-Y177 HydrophobicContact CE-CD1 4.01Å; M123-Y177 HydrophobicContact CE-CD2 3.25Å; M123-Y177 HydrophobicContact CE-CE1 4.17Å; M123-Y177 HydrophobicContact CE-CE2 3.46Å; M123-Y177 VanDerWaalsContact CE-CE2 3.46Å; M123-Y177 HydrophobicContact CE-CG 3.55Å; M123-I193 HydrophobicContact CB-CD1 3.86Å; M123-I193 HydrophobicContact CG-CD1 3.77Å
124P92.8Very high92.1Very high57 Ų5754.2 Ų54.237%0.3729%0.29SS..Hα-helixtrans-57.7-43176.5-2132000111.8K121 F126 L127 T128 I193K121-P124 WeakPolarHBondContact O-CD 3.24Å; P124-F126 VanDerWaalsContact C-N 3.33Å; P124-F126 PolarHBondContact O-N 3.21Å; P124-L127 PolarHBondContact O-N 2.93Å; P124-T128 PolarHBondContact O-N 3.33Å; P124-T128 PolarHBondContact O-OG1 3.43Å; P124-I193 HydrophobicContact CB-CD1 4.5Å; P124-I193 HydrophobicContact CG-CD1 3.63Å; P124-I193 HydrophobicContact CG-CG1 4.09Å
125T93.9Very high92.7Very high89 Ų8954 Ų5455%0.54629%0.285SS..Hα-helixtrans-61-42177.4-510000111.7A122 M123 T128 M129A122-T125 WeakPolarHBondContact O-CB 3.43Å; A122-T125 PolarHBondContact O-N 3.31Å; M123-T125 VanDerWaalsContact C-N 3.28Å; M123-T125 PolarHBondContact O-N 3.23Å; T125-T128 PolarHBondContact O-N 2.93Å; T125-M129 VanDerWaalsContact O-CG 3.32Å; T125-M129 WeakPolarHBondContact O-CG 3.08Å; T125-M129 PolarHBondContact O-N 3.21Å
126F95.4Very high93.3Very high5 Ų554.8 Ų54.82%0.02228%0.284CS..Hα-helixtrans-63.4-42.5176.5177-122.8000111.9L96 K99 A100 F103 A122 M123 P124 T128 M129 C130 L170 L173L96-F126 HydrophobicContact CD2-CE2 4.48Å; K99-F126 HydrophobicContact CB-CD2 4.42Å; K99-F126 HydrophobicContact CB-CE2 3.55Å; K99-F126 HydrophobicContact CB-CZ 3.89Å; K99-F126 HydrophobicContact CG-CE2 4.44Å; A100-F126 HydrophobicContact CB-CE1 4.09Å; A100-F126 HydrophobicContact CB-CZ 4.14Å; F103-F126 HydrophobicContact CE1-CB 4.44Å; F103-F126 HydrophobicContact CE2-CB 4.14Å; F103-F126 HydrophobicContact CE2-CD1 4.35Å; F103-F126 HydrophobicContact CE2-CD2 4.33Å; F103-F126 HydrophobicContact CE2-CG 4.01Å; F103-F126 HydrophobicContact CZ-CB 3.78Å; F103-F126 HydrophobicContact CZ-CG 4.14Å; A122-F126 PolarHBondContact O-N 3.22Å; M123-F126 PolarHBondContact O-N 3.41Å; M123-F126 VanDerWaalsContact O-N 3.14Å; M123-F126 HydrophobicContact SD-CD1 4.49Å; P124-F126 VanDerWaalsContact C-N 3.33Å; P124-F126 PolarHBondContact O-N 3.21Å; F126-T128 PolarHBondContact O-N 3.46Å; F126-M129 HydrophobicContact CD2-CE 4.45Å; F126-M129 WeakPolarHBondContact O-CB 3.49Å; F126-M129 PolarHBondContact O-N 3.33Å; F126-C130 PolarHBondContact O-N 3.14Å; F126-C130 PolarHBondContact O-SG 3.45Å; F126-L170 HydrophobicContact CD1-CD2 4.15Å; F126-L170 HydrophobicContact CE1-CD2 3.42Å; F126-L170 VanDerWaalsContact CE1-CD2 3.42Å; F126-L170 HydrophobicContact CZ-CD2 4.01Å; F126-L173 HydrophobicContact CD1-CD2 4.22Å; F126-L173 HydrophobicContact CE1-CD2 3.96Å
127L95.9Very high93.7Very high14 Ų1453.2 Ų53.27%0.07328%0.278CS..Hα-helixtrans-60.6-44.7174.6-65.1171.4000111.3M123 P124 M129 C130 E131 L170 V174 I193 F196M123-L127 HydrophobicContact CG-CD1 4.46Å; M123-L127 WeakPolarHBondContact O-CG 3.49Å; M123-L127 PolarHBondContact O-N 2.95Å; P124-L127 PolarHBondContact O-N 2.93Å; L127-M129 VanDerWaalsContact C-N 3.29Å; L127-M129 PolarHBondContact O-N 3.16Å; L127-C130 WeakPolarHBondContact O-CB 3.39Å; L127-C130 PolarHBondContact O-N 3Å; L127-E131 PolarHBondContact O-N 3.49Å; L127-L170 HydrophobicContact CD2-CB 4.06Å; L127-L170 HydrophobicContact CD2-CD1 4.04Å; L127-L170 HydrophobicContact CD2-CD2 4.16Å; L127-L170 HydrophobicContact CD2-CG 4.31Å; L127-V174 HydrophobicContact CD1-CG2 4.07Å; L127-V174 HydrophobicContact CD2-CG2 4.29Å; L127-I193 HydrophobicContact CD1-CG2 3.38Å; L127-F196 HydrophobicContact CD1-CB 4.19Å; L127-F196 HydrophobicContact CD2-CB 4.34Å; L127-F196 HydrophobicContact CD2-CG 4.34Å
128T95Very high94Very high75 Ų7550 Ų5046%0.4626%0.263SS..Hα-helixtrans-61.6-36.2175.3-60.60000112.3P124 T125 F126 C130 E131P124-T128 PolarHBondContact O-N 3.33Å; P124-T128 PolarHBondContact O-OG1 3.43Å; T125-T128 PolarHBondContact O-N 2.93Å; F126-T128 PolarHBondContact O-N 3.46Å; T128-C130 PolarHBondContact O-N 3.42Å; T128-E131 WeakPolarHBondContact CA-OE1 3.32Å; T128-E131 WeakPolarHBondContact O-CB 3.19Å; T128-E131 WeakPolarHBondContact O-CG 2.81Å; T128-E131 PolarHBondContact O-N 2.89Å; T128-E131 VanDerWaalsContact O-N 3.14Å; T128-E131 PolarHBondContact OG1-OE1 3.19Å
129M95.3Very high94.3Very high108 Ų10846.4 Ų46.453%0.53225%0.251SS..Hα-helixtrans-65.6-23.1174.2-68.9-145.4-55.200113.6T125 F126 L127T125-M129 VanDerWaalsContact O-CG 3.32Å; T125-M129 WeakPolarHBondContact O-CG 3.08Å; T125-M129 PolarHBondContact O-N 3.21Å; F126-M129 HydrophobicContact CD2-CE 4.45Å; F126-M129 WeakPolarHBondContact O-CB 3.49Å; F126-M129 PolarHBondContact O-N 3.33Å; L127-M129 VanDerWaalsContact C-N 3.29Å; L127-M129 PolarHBondContact O-N 3.16Å
130C96.8Very high94.5Very high0 Ų047.6 Ų47.60%027%0.266CS..Hα-helixtrans-79.6-20.7174.5-64.20000112.9F126 L127 T128 Y133 F134 L166 L170F126-C130 PolarHBondContact O-N 3.14Å; F126-C130 PolarHBondContact O-SG 3.45Å; L127-C130 WeakPolarHBondContact O-CB 3.39Å; L127-C130 PolarHBondContact O-N 3Å; T128-C130 PolarHBondContact O-N 3.42Å; C130-Y133 WeakPolarHBondContact O-CB 3.47Å; C130-Y133 PolarHBondContact O-N 2.87Å; C130-Y133 VanDerWaalsContact O-N 3.09Å; C130-F134 HydrophobicContact CB-CD2 4.07Å; C130-F134 HydrophobicContact CB-CE2 3.88Å; C130-F134 WeakPolarHBondContact O-CD2 2.98Å; C130-F134 PolarHBondContact O-N 2.87Å; C130-L166 HydrophobicContact CB-CD2 4.39Å; C130-L170 HydrophobicContact CB-CD1 4.01Å
131E96.7Very high94.6Very high70 Ų7047.8 Ų47.833%0.32727%0.268SS..Hα-helixtrans-57-45-173.6-62.3177.2-169.300114.4L127 T128 Y133 F134 L135 F197L127-E131 PolarHBondContact O-N 3.49Å; T128-E131 WeakPolarHBondContact CA-OE1 3.32Å; T128-E131 WeakPolarHBondContact O-CB 3.19Å; T128-E131 WeakPolarHBondContact O-CG 2.81Å; T128-E131 PolarHBondContact O-N 2.89Å; T128-E131 VanDerWaalsContact O-N 3.14Å; T128-E131 PolarHBondContact OG1-OE1 3.19Å; E131-Y133 PolarHBondContact O-N 3.19Å; E131-F134 PolarHBondContact O-N 2.92Å; E131-L135 WeakPolarHBondContact O-CB 3.4Å; E131-L135 PolarHBondContact O-N 2.89Å; E131-F197 HydrophobicContact CB-CD1 3.78Å; E131-F197 HydrophobicContact CB-CE1 4.24Å; E131-F197 HydrophobicContact CG-CB 4.1Å; E131-F197 HydrophobicContact CG-CD1 3.78Å; E131-F197 HydrophobicContact CG-CG 4.36Å
132P96.3Very high94.7Very high88 Ų8842.7 Ų42.757%0.57124%0.244SC*.Hα-helixtrans-63-31.7178.9-2234.1000112.6Y136P132-Y136 PolarHBondContact O-N 3.39Å; P132-Y136 VanDerWaalsContact O-N 3.08Å
133Y96.9Very high94.5Very high19 Ų1943.3 Ų43.38%0.07525%0.247CC..Hα-helixtrans-72.1-44.2177.9-172.9-111000111I89 Q92 L93 L96 C130 E131 L135 Y136 L137 I162 L166I89-Y133 HydrophobicContact CG2-CE2 4.16Å; I89-Y133 WeakPolarHBondContact CG2-OH 3.41Å; I89-Y133 PolarHBondContact O-OH 2.78Å; Q92-Y133 HydrophobicContact CB-CD2 4.2Å; Q92-Y133 HydrophobicContact CB-CE2 3.73Å; Q92-Y133 HydrophobicContact CG-CD2 3.54Å; Q92-Y133 HydrophobicContact CG-CE2 3.6Å; Q92-Y133 HydrophobicContact CG-CG 4.31Å; L93-Y133 HydrophobicContact CB-CE1 4.48Å; L93-Y133 WeakPolarHBondContact CB-OH 3.49Å; L93-Y133 HydrophobicContact CD1-CE1 4.41Å; L96-Y133 HydrophobicContact CD1-CD1 3.58Å; L96-Y133 HydrophobicContact CD1-CE1 4.15Å; L96-Y133 HydrophobicContact CD1-CG 3.82Å; C130-Y133 WeakPolarHBondContact O-CB 3.47Å; C130-Y133 PolarHBondContact O-N 2.87Å; C130-Y133 VanDerWaalsContact O-N 3.09Å; E131-Y133 PolarHBondContact O-N 3.19Å; Y133-L135 VanDerWaalsContact C-N 3.35Å; Y133-L135 PolarHBondContact O-N 2.81Å; Y133-Y136 PolarHBondContact O-N 3.38Å; Y133-L137 HydrophobicContact CD1-CD1 3.84Å; Y133-L137 HydrophobicContact CD1-CG 4.49Å; Y133-L137 HydrophobicContact CE1-CD1 3.52Å; Y133-L137 HydrophobicContact CE1-CG 4.26Å; Y133-L137 WeakPolarHBondContact O-CG 3.43Å; Y133-L137 PolarHBondContact O-N 2.81Å; Y133-I162 HydrophobicContact CE1-CG2 4.03Å; Y133-I162 WeakPolarHBondContact OH-CG2 3.38Å; Y133-L166 HydrophobicContact CD1-CD2 3.58Å; Y133-L166 HydrophobicContact CE1-CD2 4.01Å
134F97.4Very high93.4Very high0 Ų047.4 Ų47.40%027%0.272CS..Hα-helixtrans-59.1-45.4171.6-79.3-59.3000112.5C130 E131 Y136 L137 E138 L166 T167 L170 F196 F197C130-F134 HydrophobicContact CB-CD2 4.07Å; C130-F134 HydrophobicContact CB-CE2 3.88Å; C130-F134 WeakPolarHBondContact O-CD2 2.98Å; C130-F134 PolarHBondContact O-N 2.87Å; E131-F134 PolarHBondContact O-N 2.92Å; F134-Y136 VanDerWaalsContact C-N 3.31Å; F134-Y136 PolarHBondContact O-N 3.44Å; F134-L137 PolarHBondContact O-N 3.37Å; F134-E138 VanDerWaalsContact O-CB 3.31Å; F134-E138 WeakPolarHBondContact O-CB 3.36Å; F134-E138 WeakPolarHBondContact O-CG 3.43Å; F134-E138 PolarHBondContact O-N 2.93Å; F134-L166 HydrophobicContact CD2-CD2 4.48Å; F134-L166 HydrophobicContact CE1-CB 4.15Å; F134-L166 HydrophobicContact CE1-CD2 3.95Å; F134-L166 HydrophobicContact CE1-CG 4.13Å; F134-L166 HydrophobicContact CE2-CD2 3.92Å; F134-L166 HydrophobicContact CE2-CG 4.23Å; F134-L166 HydrophobicContact CZ-CB 4.07Å; F134-L166 HydrophobicContact CZ-CD2 3.62Å; F134-L166 HydrophobicContact CZ-CG 3.61Å; F134-T167 VanDerWaalsContact CE1-OG1 3.24Å; F134-T167 WeakPolarHBondContact CE1-OG1 3.28Å; F134-L170 HydrophobicContact CE2-CD1 3.61Å; F134-L170 HydrophobicContact CZ-CD1 3.83Å; F134-F196 HydrophobicContact CE2-CE2 4.41Å; F134-F196 HydrophobicContact CZ-CE2 4.35Å; F134-F197 WeakPolarHBondContact CD2-O 3.37Å
135L96.3Very high91.8Very high81 Ų8148.9 Ų48.942%0.42428%0.281SS..Hα-helixtrans-55.3-48.2177.4-172.1109.9000111E131 Y133 A139 F197 R200E131-L135 WeakPolarHBondContact O-CB 3.4Å; E131-L135 PolarHBondContact O-N 2.89Å; Y133-L135 VanDerWaalsContact C-N 3.35Å; Y133-L135 PolarHBondContact O-N 2.81Å; L135-A139 WeakPolarHBondContact O-CB 3.06Å; L135-A139 PolarHBondContact O-N 2.83Å; L135-F197 HydrophobicContact CB-CE1 4.49Å; L135-F197 HydrophobicContact CD1-CZ 4.21Å; L135-R200 HydrophobicContact CD1-CB 4.01Å
136Y95.3Very high90.2Very high121 Ų12148.5 Ų48.548%0.47528%0.28SS..Hα-helixtrans-60.3-50.9177.8170.7-101.2000112.5I89 P132 Y133 F134 E138 A140I89-Y136 HydrophobicContact CD1-CE1 3.8Å; I89-Y136 HydrophobicContact CG1-CE1 3.95Å; P132-Y136 PolarHBondContact O-N 3.39Å; P132-Y136 VanDerWaalsContact O-N 3.08Å; Y133-Y136 PolarHBondContact O-N 3.38Å; F134-Y136 VanDerWaalsContact C-N 3.31Å; F134-Y136 PolarHBondContact O-N 3.44Å; Y136-E138 VanDerWaalsContact C-N 3.34Å; Y136-E138 PolarHBondContact O-N 2.93Å; Y136-A140 WeakPolarHBondContact O-CB 3.4Å; Y136-A140 PolarHBondContact O-N 2.9Å
137L95.3Very high88.3Confident0 Ų054.7 Ų54.70%031%0.312CS..Hα-helixtrans-60.1-45.8-177.4-68174.5000111.9I89 Y133 F134 A141 L159 I162I89-L137 HydrophobicContact CG2-CD2 3.71Å; Y133-L137 HydrophobicContact CD1-CD1 3.84Å; Y133-L137 HydrophobicContact CD1-CG 4.49Å; Y133-L137 HydrophobicContact CE1-CD1 3.52Å; Y133-L137 HydrophobicContact CE1-CG 4.26Å; Y133-L137 WeakPolarHBondContact O-CG 3.43Å; Y133-L137 PolarHBondContact O-N 2.81Å; F134-L137 PolarHBondContact O-N 3.37Å; L137-A141 WeakPolarHBondContact O-CB 3.27Å; L137-A141 PolarHBondContact O-N 2.81Å; L137-L159 HydrophobicContact CD2-CB 4.39Å; L137-L159 HydrophobicContact CD2-CD2 3.75Å; L137-I162 HydrophobicContact CD1-CB 4.44Å; L137-I162 HydrophobicContact CD1-CG2 3.69Å; L137-I162 HydrophobicContact CD2-CB 4.42Å; L137-I162 HydrophobicContact CD2-CG2 3.92Å; L137-I162 HydrophobicContact CG-CG2 4.48Å
138E95.3Very high86.7Confident0 Ų063.1 Ų63.10%034%0.344CS..Hα-helixtrans-77.9-40.6-171.3-64.8-89.614900111.2F134 Y136 A141 R142 S163 C198 I211 H322F134-E138 VanDerWaalsContact O-CB 3.31Å; F134-E138 WeakPolarHBondContact O-CB 3.36Å; F134-E138 WeakPolarHBondContact O-CG 3.43Å; F134-E138 PolarHBondContact O-N 2.93Å; Y136-E138 VanDerWaalsContact C-N 3.34Å; Y136-E138 PolarHBondContact O-N 2.93Å; E138-A141 PolarHBondContact O-N 2.96Å; E138-R142 WeakPolarHBondContact O-CB 3.36Å; E138-R142 PolarHBondContact O-N 2.89Å; E138-R142 IonicContact OE1-NH1 3.18Å; E138-R142 PolarHBondContact OE1-NH1 2.85Å; E138-R142 IonicContact OE2-CZ 3.07Å; E138-R142 IonicContact OE2-NH1 2.6Å; E138-R142 PolarHBondContact OE2-NH1 2.94Å; E138-S163 WeakPolarHBondContact OE1-CB 3.11Å; E138-S163 PolarHBondContact OE1-OG 3.34Å; E138-C198 VanDerWaalsContact CG-O 3.31Å; E138-C198 WeakPolarHBondContact CG-O 3.18Å; E138-I211 HydrophobicContact CG-CD1 4.42Å; E138-I211 WeakPolarHBondContact OE2-CD1 3.43Å; E138-H322 IonicContact OE1-CD2 2.69Å; E138-H322 IonicContact OE1-CE1 3.88Å; E138-H322 IonicContact OE1-NE2 2.81Å; E138-H322 PolarHBondContact OE1-NE2 2.67Å; E138-H322 IonicContact OE2-NE2 3.05Å
139A94.1Very high85.7Confident33 Ų3361.2 Ų61.227%0.27334%0.34SS..Hα-helixtrans-65-45.3173.400000111.8L135 A141 R142 S143 R200L135-A139 WeakPolarHBondContact O-CB 3.06Å; L135-A139 PolarHBondContact O-N 2.83Å; A139-A141 VanDerWaalsContact C-N 3.28Å; A139-A141 PolarHBondContact O-N 2.85Å; A139-R142 PolarHBondContact O-N 2.93Å; A139-S143 VanDerWaalsContact O-CB 3.26Å; A139-S143 WeakPolarHBondContact O-CB 3.32Å; A139-S143 PolarHBondContact O-N 3.01Å; A139-S143 PolarHBondContact O-OG 3.03Å; A139-R200 PolarHBondContact N-O 3.36Å
140A91.8Very high85Confident57 Ų5760.5 Ų60.547%0.47135%0.351SS..Hα-helixtrans-66.9-30179.500000112.6Y136 L159Y136-A140 WeakPolarHBondContact O-CB 3.4Å; Y136-A140 PolarHBondContact O-N 2.9Å; A140-L159 HydrophobicContact CB-CD1 3.88Å
141A91.7Very high84.3Confident12 Ų1265.5 Ų65.510%0.09938%0.377CS..Hα-helixtrans-82.3-32.5178.400000113.7L137 E138 A139 R156 L159 L160L137-A141 WeakPolarHBondContact O-CB 3.27Å; L137-A141 PolarHBondContact O-N 2.81Å; E138-A141 PolarHBondContact O-N 2.96Å; A139-A141 VanDerWaalsContact C-N 3.28Å; A139-A141 PolarHBondContact O-N 2.85Å; A141-R156 HydrophobicContact CB-CG 4.11Å; A141-R156 WeakPolarHBondContact O-CG 3.31Å; A141-L159 HydrophobicContact CB-CB 4.12Å; A141-L159 HydrophobicContact CB-CD1 4.3Å; A141-L160 HydrophobicContact CB-CD1 4.38Å; A141-L160 HydrophobicContact CB-CD2 3.41Å; A141-L160 VanDerWaalsContact CB-CD2 3.41Å; A141-L160 HydrophobicContact CB-CG 3.76Å
142R91.3Very high83.6Confident31 Ų3166.9 Ų66.912%0.11738%0.384CS..Hα-helixtrans-119.9-16.2-167.2-63.6-164.4179.382.3-9.1116.8E138 A139 F201 D327E138-R142 WeakPolarHBondContact O-CB 3.36Å; E138-R142 PolarHBondContact O-N 2.89Å; E138-R142 IonicContact OE1-NH1 3.18Å; E138-R142 PolarHBondContact OE1-NH1 2.85Å; E138-R142 IonicContact OE2-CZ 3.07Å; E138-R142 IonicContact OE2-NH1 2.6Å; E138-R142 PolarHBondContact OE2-NH1 2.94Å; A139-R142 PolarHBondContact O-N 2.93Å; R142-F201 HydrophobicContact CB-CB 3.92Å; R142-F201 HydrophobicContact CB-CD1 4.28Å; R142-F201 HydrophobicContact CB-CD2 3.35Å; R142-F201 HydrophobicContact CB-CE2 3.84Å; R142-F201 HydrophobicContact CB-CG 3.59Å; R142-F201 HydrophobicContact CG-CD2 4.34Å; R142-F201 HydrophobicContact CG-CE2 4.48Å; R142-F201 HydrophobicContact CG-CG 4.44Å; R142-D327 IonicContact CZ-OD1 3.23Å; R142-D327 IonicContact NE-OD1 2.97Å; R142-D327 PolarHBondContact NE-OD1 3.34Å; R142-D327 IonicContact NH2-OD1 3.11Å; R142-D327 PolarHBondContact NH2-OD1 3.24Å
143S88.7Confident83.1Confident50 Ų5065.8 Ų65.835%0.3537%0.371SS..SBendtrans-74.3141.1-179.7-610000113.1A139 S202A139-S143 VanDerWaalsContact O-CB 3.26Å; A139-S143 WeakPolarHBondContact O-CB 3.32Å; A139-S143 PolarHBondContact O-N 3.01Å; A139-S143 PolarHBondContact O-OG 3.03Å; S143-S202 WeakPolarHBondContact CA-O 3.4Å; S143-S202 PolarHBondContact OG-N 3.06Å
144V70Confident82.7Confident86 Ų8669.3 Ų69.352%0.52139%0.39SS..SBendtrans-66.5156.9-169.1164.20000116.2I203V144-I203 WeakPolarHBondContact CG2-O 3.25Å
145P58.2Low82.2Confident87 Ų8770.8 Ų70.857%0.56540%0.399SS*.  cis-110.6162.43.413.68.8000116.5I147P145-I147 PolarHBondContact O-N 3.49Å; P145-I147 VanDerWaalsContact O-N 3.12Å
146P61.2Low81.9Confident82 Ų8269.9 Ų69.953%0.53239%0.39SS..  trans-81.693.6-175.933.6-31.3000110.5Y148P146-Y148 VanDerWaalsContact C-N 3.3Å; P146-Y148 HydrophobicContact CB-CD2 3.65Å; P146-Y148 HydrophobicContact CB-CE2 3.38Å; P146-Y148 HydrophobicContact CG-CE2 4.26Å; P146-Y148 PolarHBondContact O-N 2.86Å
147I54.3Low81.8Confident135 Ų13570.4 Ų70.469%0.69240%0.395SS*.  trans-91.976.7159.8-54.8175.5000105.6P145 G149 Q152P145-I147 PolarHBondContact O-N 3.49Å; P145-I147 VanDerWaalsContact O-N 3.12Å; I147-G149 PolarHBondContact O-N 2.74Å; I147-Q152 PolarHBondContact O-OE1 3.32Å
148Y63Low81.6Confident190 Ų19071.2 Ų71.275%0.74540%0.404SS*.  trans-57.497.3-175.1-81.1-76.2000111.6P146P146-Y148 VanDerWaalsContact C-N 3.3Å; P146-Y148 HydrophobicContact CB-CD2 3.65Å; P146-Y148 HydrophobicContact CB-CE2 3.38Å; P146-Y148 HydrophobicContact CG-CE2 4.26Å; P146-Y148 PolarHBondContact O-N 2.86Å
149G74.8Confident81.6Confident35 Ų3571.5 Ų71.536%0.36141%0.405SS..  trans-110.8149.1163.100000109.9I147 L151 Q152 E153I147-G149 PolarHBondContact O-N 2.74Å; G149-L151 PolarHBondContact O-N 2.79Å; G149-L151 VanDerWaalsContact O-N 3.13Å; G149-Q152 PolarHBondContact O-N 2.82Å; G149-E153 PolarHBondContact O-N 3.38Å; G149-E153 VanDerWaalsContact O-N 3.15Å
150A80.3Confident81.6Confident94 Ų9470.1 Ų70.178%0.77739%0.393SS*.Hα-helixtrans-55-33.7179.800000113.1L154A150-L154 WeakPolarHBondContact O-CB 3.43Å; A150-L154 PolarHBondContact O-N 2.96Å; A150-L154 VanDerWaalsContact O-N 3.16Å
151L80.9Confident81.7Confident104 Ų10473.5 Ų73.555%0.54540%0.399SS..Hα-helixtrans-68.7-42.2177.1-174.663.5000112.5L82 G149 E153 L154 V155L82-L151 HydrophobicContact CD1-CD1 4.21Å; L82-L151 HydrophobicContact CD2-CD1 3.78Å; L82-L151 HydrophobicContact CG-CD1 4.25Å; G149-L151 PolarHBondContact O-N 2.79Å; G149-L151 VanDerWaalsContact O-N 3.13Å; L151-E153 VanDerWaalsContact C-N 3.34Å; L151-L154 PolarHBondContact O-N 3.24Å; L151-V155 WeakPolarHBondContact O-CG2 3.3Å; L151-V155 PolarHBondContact O-N 3.06Å
152Q82.3Confident81.9Confident100 Ų10073.7 Ų73.747%0.46740%0.398SS..Hα-helixtrans-66.8-38.8179.8-175.4173.3-7.800111.1I147 G149 L154 V155 R156I147-Q152 PolarHBondContact O-OE1 3.32Å; G149-Q152 PolarHBondContact O-N 2.82Å; Q152-L154 VanDerWaalsContact C-N 3.33Å; Q152-L154 PolarHBondContact O-N 3.27Å; Q152-V155 PolarHBondContact O-N 2.93Å; Q152-R156 WeakPolarHBondContact O-CB 3.34Å; Q152-R156 PolarHBondContact O-N 2.94Å
153E86.3Confident82.1Confident65 Ų6572.2 Ų72.230%0.30439%0.393SS..Hα-helixtrans-65.8-37.8176-174.154.4-147.200112G149 L151 R156 K157G149-E153 PolarHBondContact O-N 3.38Å; G149-E153 VanDerWaalsContact O-N 3.15Å; L151-E153 VanDerWaalsContact C-N 3.34Å; E153-R156 PolarHBondContact O-N 3.48Å; E153-R156 IonicContact OE1-CZ 2.52Å; E153-R156 VanDerWaalsContact OE1-CZ 3.23Å; E153-R156 IonicContact OE1-NE 3.55Å; E153-R156 PolarHBondContact OE1-NE 3.02Å; E153-R156 IonicContact OE1-NH2 3.36Å; E153-R156 PolarHBondContact OE1-NH2 3.47Å; E153-R156 IonicContact OE2-CZ 3.4Å; E153-R156 IonicContact OE2-NE 3.43Å; E153-R156 PolarHBondContact OE2-NE 2.7Å; E153-R156 VanDerWaalsContact OE2-NE 3.11Å; E153-K157 WeakPolarHBondContact O-CB 3.46Å; E153-K157 PolarHBondContact O-N 3.01Å
154L87.5Confident82.4Confident92 Ų9271.2 Ų71.248%0.48238%0.383SS..Hα-helixtrans-64.8-44174.2-167.881.9000111.7L82 A150 L151 Q152 K157 G158L82-L154 HydrophobicContact CD1-CD2 3.24Å; L82-L154 HydrophobicContact CD2-CD2 4.36Å; L82-L154 HydrophobicContact CG-CD2 4.42Å; A150-L154 WeakPolarHBondContact O-CB 3.43Å; A150-L154 PolarHBondContact O-N 2.96Å; A150-L154 VanDerWaalsContact O-N 3.16Å; L151-L154 PolarHBondContact O-N 3.24Å; Q152-L154 VanDerWaalsContact C-N 3.33Å; Q152-L154 PolarHBondContact O-N 3.27Å; L154-K157 PolarHBondContact O-N 3.38Å; L154-G158 PolarHBondContact O-N 3.22Å
155V88.1Confident83.7Confident31 Ų3171.6 Ų71.619%0.18838%0.379CS..Hα-helixtrans-62.9-47176.7172.10000110.5L82 M85 F86 L151 Q152 K157 G158 L159L82-V155 HydrophobicContact CD2-CG2 3.92Å; M85-V155 HydrophobicContact SD-CG2 4.1Å; F86-V155 HydrophobicContact CE2-CG2 4.41Å; F86-V155 HydrophobicContact CZ-CB 4.4Å; F86-V155 HydrophobicContact CZ-CG1 4.14Å; L151-V155 WeakPolarHBondContact O-CG2 3.3Å; L151-V155 PolarHBondContact O-N 3.06Å; Q152-V155 PolarHBondContact O-N 2.93Å; V155-K157 PolarHBondContact O-N 3.42Å; V155-G158 PolarHBondContact O-N 3.05Å; V155-L159 HydrophobicContact CG1-CD1 4.04Å; V155-L159 HydrophobicContact CG1-CG 4.4Å; V155-L159 WeakPolarHBondContact O-CG 3.32Å; V155-L159 PolarHBondContact O-N 3.34Å
156R90.6Very high85.5Confident62 Ų6267.5 Ų67.523%0.23435%0.352CS..Hα-helixtrans-52.4-54.9174.3-176.6-171.982.6865110.4A141 Q152 E153 G158 L159 L160 D327A141-R156 HydrophobicContact CB-CG 4.11Å; A141-R156 WeakPolarHBondContact O-CG 3.31Å; Q152-R156 WeakPolarHBondContact O-CB 3.34Å; Q152-R156 PolarHBondContact O-N 2.94Å; E153-R156 PolarHBondContact O-N 3.48Å; E153-R156 IonicContact OE1-CZ 2.52Å; E153-R156 VanDerWaalsContact OE1-CZ 3.23Å; E153-R156 IonicContact OE1-NE 3.55Å; E153-R156 PolarHBondContact OE1-NE 3.02Å; E153-R156 IonicContact OE1-NH2 3.36Å; E153-R156 PolarHBondContact OE1-NH2 3.47Å; E153-R156 IonicContact OE2-CZ 3.4Å; E153-R156 IonicContact OE2-NE 3.43Å; E153-R156 PolarHBondContact OE2-NE 2.7Å; E153-R156 VanDerWaalsContact OE2-NE 3.11Å; R156-G158 VanDerWaalsContact C-N 3.31Å; R156-G158 PolarHBondContact O-N 3.32Å; R156-L159 PolarHBondContact O-N 2.93Å; R156-L160 HydrophobicContact CG-CD1 3.9Å; R156-L160 HydrophobicContact CG-CG 4.41Å; R156-L160 VanDerWaalsContact O-CG 3.25Å; R156-L160 WeakPolarHBondContact O-CG 3.36Å; R156-L160 PolarHBondContact O-N 3.49Å; R156-D327 IonicContact CZ-OD2 2.73Å; R156-D327 IonicContact NH1-OD1 4Å; R156-D327 IonicContact NH1-OD2 2.67Å; R156-D327 PolarHBondContact NH1-OD2 2.98Å; R156-D327 IonicContact NH2-OD2 2.62Å
157K91.5Very high87.1Confident132 Ų13263.6 Ų63.657%0.57433%0.327SS*.Hα-helixtrans-57.4-44.2-179-173.6178.9176.1-177.60112E153 L154 V155 L160 E161E153-K157 WeakPolarHBondContact O-CB 3.46Å; E153-K157 PolarHBondContact O-N 3.01Å; L154-K157 PolarHBondContact O-N 3.38Å; V155-K157 PolarHBondContact O-N 3.42Å; K157-L160 PolarHBondContact O-N 3.47Å; K157-E161 WeakPolarHBondContact O-CB 3.27Å; K157-E161 PolarHBondContact O-N 3.24Å
158G92.2Very high89.1Confident18 Ų1860.5 Ų60.519%0.18631%0.311CS..Hα-helixtrans-61.5-44.9178.100000113.2L154 V155 R156 L160 E161 I162L154-G158 PolarHBondContact O-N 3.22Å; V155-G158 PolarHBondContact O-N 3.05Å; R156-G158 VanDerWaalsContact C-N 3.31Å; R156-G158 PolarHBondContact O-N 3.32Å; G158-L160 VanDerWaalsContact C-N 3.34Å; G158-L160 PolarHBondContact O-N 3.14Å; G158-E161 PolarHBondContact O-N 3.18Å; G158-I162 VanDerWaalsContact O-CG1 3.31Å; G158-I162 WeakPolarHBondContact O-CG1 3.29Å; G158-I162 PolarHBondContact O-N 3.49Å; G158-I162 VanDerWaalsContact O-N 3.1Å
159L94.1Very high90.7Very high6 Ų653.5 Ų53.53%0.03128%0.283CS..Hα-helixtrans-62.4-41.1176.5-66.4172.1000112.2F86 I89 L137 A140 A141 V155 R156 I162 S163F86-L159 HydrophobicContact CD1-CD2 4.5Å; F86-L159 HydrophobicContact CE1-CD2 3.77Å; F86-L159 HydrophobicContact CE1-CG 3.97Å; F86-L159 HydrophobicContact CZ-CG 4.44Å; I89-L159 HydrophobicContact CD1-CD2 3.66Å; I89-L159 HydrophobicContact CG2-CD2 4.4Å; L137-L159 HydrophobicContact CD2-CB 4.39Å; L137-L159 HydrophobicContact CD2-CD2 3.75Å; A140-L159 HydrophobicContact CB-CD1 3.88Å; A141-L159 HydrophobicContact CB-CB 4.12Å; A141-L159 HydrophobicContact CB-CD1 4.3Å; V155-L159 HydrophobicContact CG1-CD1 4.04Å; V155-L159 HydrophobicContact CG1-CG 4.4Å; V155-L159 WeakPolarHBondContact O-CG 3.32Å; V155-L159 PolarHBondContact O-N 3.34Å; R156-L159 PolarHBondContact O-N 2.93Å; L159-I162 PolarHBondContact O-N 2.87Å; L159-S163 PolarHBondContact O-N 3.36Å
160L94.8Very high91.7Very high3 Ų351.9 Ų51.92%0.01627%0.266CS..Hα-helixtrans-70.8-34.4179.9-64.6-176.1000112.8A141 R156 K157 G158 S163 Q164 V323A141-L160 HydrophobicContact CB-CD1 4.38Å; A141-L160 HydrophobicContact CB-CD2 3.41Å; A141-L160 VanDerWaalsContact CB-CD2 3.41Å; A141-L160 HydrophobicContact CB-CG 3.76Å; R156-L160 HydrophobicContact CG-CD1 3.9Å; R156-L160 HydrophobicContact CG-CG 4.41Å; R156-L160 VanDerWaalsContact O-CG 3.25Å; R156-L160 WeakPolarHBondContact O-CG 3.36Å; R156-L160 PolarHBondContact O-N 3.49Å; K157-L160 PolarHBondContact O-N 3.47Å; G158-L160 VanDerWaalsContact C-N 3.34Å; G158-L160 PolarHBondContact O-N 3.14Å; L160-S163 PolarHBondContact O-N 3.29Å; L160-Q164 VanDerWaalsContact O-CB 3.32Å; L160-Q164 WeakPolarHBondContact O-CB 3.5Å; L160-Q164 PolarHBondContact O-N 3.36Å; L160-V323 HydrophobicContact CB-CG1 4.07Å; L160-V323 HydrophobicContact CB-CG2 3.84Å; L160-V323 HydrophobicContact CD1-CG1 3.87Å; L160-V323 WeakPolarHBondContact O-CG2 3.41Å
161E95Very high92.4Very high128 Ų12848.3 Ų48.360%0.59823%0.234SC*.Hα-helixtrans-65.1-42.6173.2-174.8165.5-162.600111.5K157 G158 Q164 Q165K157-E161 WeakPolarHBondContact O-CB 3.27Å; K157-E161 PolarHBondContact O-N 3.24Å; G158-E161 PolarHBondContact O-N 3.18Å; E161-Q164 PolarHBondContact O-N 3.18Å; E161-Q165 WeakPolarHBondContact O-CB 3.38Å; E161-Q165 PolarHBondContact O-N 3.16Å
162I95.1Very high93.1Very high16 Ų1648.6 Ų48.68%0.08223%0.232CC..Hα-helixtrans-60.6-45.4173.1-69.9171.5000110.8F86 I89 L93 Y133 L137 G158 L159 Q165 L166F86-I162 HydrophobicContact CD1-CD1 3.99Å; F86-I162 HydrophobicContact CE1-CD1 4.31Å; I89-I162 HydrophobicContact CG2-CD1 3.84Å; I89-I162 HydrophobicContact CG2-CG2 4.39Å; L93-I162 HydrophobicContact CB-CG2 4.34Å; L93-I162 HydrophobicContact CD1-CG2 4.22Å; L93-I162 HydrophobicContact CD2-CG1 4.37Å; L93-I162 HydrophobicContact CD2-CG2 4.09Å; L93-I162 HydrophobicContact CG-CG2 4.42Å; Y133-I162 HydrophobicContact CE1-CG2 4.03Å; Y133-I162 WeakPolarHBondContact OH-CG2 3.38Å; L137-I162 HydrophobicContact CD1-CB 4.44Å; L137-I162 HydrophobicContact CD1-CG2 3.69Å; L137-I162 HydrophobicContact CD2-CB 4.42Å; L137-I162 HydrophobicContact CD2-CG2 3.92Å; L137-I162 HydrophobicContact CG-CG2 4.48Å; G158-I162 VanDerWaalsContact O-CG1 3.31Å; G158-I162 WeakPolarHBondContact O-CG1 3.29Å; G158-I162 PolarHBondContact O-N 3.49Å; G158-I162 VanDerWaalsContact O-N 3.1Å; L159-I162 PolarHBondContact O-N 2.87Å; I162-Q165 PolarHBondContact O-N 2.83Å; I162-L166 PolarHBondContact O-N 3.45Å; I162-L166 VanDerWaalsContact O-N 3.1Å
163S95.8Very high93.8Very high0 Ų043.9 Ų43.90%021%0.21CC..Hα-helixtrans-60.7-45.9177-178.30000111.6E138 L159 L160 Q165 L166 T167E138-S163 WeakPolarHBondContact OE1-CB 3.11Å; E138-S163 PolarHBondContact OE1-OG 3.34Å; L159-S163 PolarHBondContact O-N 3.36Å; L160-S163 PolarHBondContact O-N 3.29Å; S163-Q165 PolarHBondContact O-N 2.62Å; S163-L166 PolarHBondContact O-N 2.97Å; S163-T167 VanDerWaalsContact O-CB 3.32Å; S163-T167 WeakPolarHBondContact O-CB 3.49Å; S163-T167 PolarHBondContact O-N 3.17Å; S163-T167 PolarHBondContact O-OG1 3.48Å
164Q95.4Very high94.2Very high29 Ų2940.8 Ų40.814%0.13620%0.196CC..Hα-helixtrans-59.8-45.2176.5-178.670.351.400111.7L160 E161 T167 L168 H322 V323L160-Q164 VanDerWaalsContact O-CB 3.32Å; L160-Q164 WeakPolarHBondContact O-CB 3.5Å; L160-Q164 PolarHBondContact O-N 3.36Å; E161-Q164 PolarHBondContact O-N 3.18Å; Q164-T167 PolarHBondContact O-N 3.4Å; Q164-L168 HydrophobicContact CG-CD1 4.2Å; Q164-L168 WeakPolarHBondContact O-CG 3.39Å; Q164-L168 PolarHBondContact O-N 2.92Å; Q164-H322 VanDerWaalsContact OE1-CB 3.27Å; Q164-V323 HydrophobicContact CB-CG2 4.07Å
165Q95.9Very high94.6Very high95 Ų9539.4 Ų39.444%0.44419%0.189SC..Hα-helixtrans-61.3-48-179.6-177.9179.8-100111.7E161 I162 S163 L168 R169E161-Q165 WeakPolarHBondContact O-CB 3.38Å; E161-Q165 PolarHBondContact O-N 3.16Å; I162-Q165 PolarHBondContact O-N 2.83Å; S163-Q165 PolarHBondContact O-N 2.62Å; Q165-L168 PolarHBondContact O-N 2.97Å; Q165-R169 PolarHBondContact O-N 2.89Å; Q165-R169 VanDerWaalsContact O-N 3.1Å
166L96.4Very high94.9Very high0 Ų039.5 Ų39.50%019%0.188CC..Hα-helixtrans-63.4-44.6178-178.260.9000111L93 L96 L97 C130 Y133 F134 I162 S163 L168 R169 L170L93-L166 HydrophobicContact CD1-CB 3.99Å; L96-L166 HydrophobicContact CB-CD1 4.09Å; L96-L166 HydrophobicContact CD1-CD2 3.84Å; L97-L166 HydrophobicContact CD2-CD1 4.28Å; C130-L166 HydrophobicContact CB-CD2 4.39Å; Y133-L166 HydrophobicContact CD1-CD2 3.58Å; Y133-L166 HydrophobicContact CE1-CD2 4.01Å; F134-L166 HydrophobicContact CD2-CD2 4.48Å; F134-L166 HydrophobicContact CE1-CB 4.15Å; F134-L166 HydrophobicContact CE1-CD2 3.95Å; F134-L166 HydrophobicContact CE1-CG 4.13Å; F134-L166 HydrophobicContact CE2-CD2 3.92Å; F134-L166 HydrophobicContact CE2-CG 4.23Å; F134-L166 HydrophobicContact CZ-CB 4.07Å; F134-L166 HydrophobicContact CZ-CD2 3.62Å; F134-L166 HydrophobicContact CZ-CG 3.61Å; I162-L166 PolarHBondContact O-N 3.45Å; I162-L166 VanDerWaalsContact O-N 3.1Å; S163-L166 PolarHBondContact O-N 2.97Å; L166-L168 PolarHBondContact O-N 2.78Å; L166-R169 PolarHBondContact O-N 3.29Å; L166-R169 VanDerWaalsContact O-N 3.16Å; L166-L170 HydrophobicContact CD1-CD1 4.17Å; L166-L170 HydrophobicContact CD1-CD2 4.36Å; L166-L170 HydrophobicContact CD1-CG 4.04Å; L166-L170 HydrophobicContact CG-CD1 4Å; L166-L170 HydrophobicContact CG-CG 4.26Å; L166-L170 WeakPolarHBondContact O-CG 3.41Å; L166-L170 PolarHBondContact O-N 3.32Å
167T95.9Very high95.1Very high0 Ų036.6 Ų36.60%018%0.176CC..Hα-helixtrans-55-49.4178.2-62.30000111.9F134 S163 Q164 R169 L170 E171 F196F134-T167 VanDerWaalsContact CE1-OG1 3.24Å; F134-T167 WeakPolarHBondContact CE1-OG1 3.28Å; S163-T167 VanDerWaalsContact O-CB 3.32Å; S163-T167 WeakPolarHBondContact O-CB 3.49Å; S163-T167 PolarHBondContact O-N 3.17Å; S163-T167 PolarHBondContact O-OG1 3.48Å; Q164-T167 PolarHBondContact O-N 3.4Å; T167-R169 VanDerWaalsContact C-N 3.34Å; T167-R169 PolarHBondContact O-N 3.43Å; T167-L170 PolarHBondContact O-N 3.15Å; T167-E171 WeakPolarHBondContact O-CB 3.39Å; T167-E171 PolarHBondContact O-N 3.17Å; T167-F196 HydrophobicContact CG2-CE2 4.25Å; T167-F196 HydrophobicContact CG2-CZ 3.99Å
168L95.1Very high95.2Very high70 Ų7031.5 Ų31.537%0.36616%0.159SC..Hα-helixtrans-63.6-39.9178.5-70.2173.1000112Q164 Q165 L166 Q172Q164-L168 HydrophobicContact CG-CD1 4.2Å; Q164-L168 WeakPolarHBondContact O-CG 3.39Å; Q164-L168 PolarHBondContact O-N 2.92Å; Q165-L168 PolarHBondContact O-N 2.97Å; L166-L168 PolarHBondContact O-N 2.78Å; L168-Q172 WeakPolarHBondContact O-CB 3.43Å; L168-Q172 VanDerWaalsContact O-CG 3.25Å; L168-Q172 WeakPolarHBondContact O-CG 3.48Å; L168-Q172 PolarHBondContact O-N 2.78Å
169R96.4Very high95.2Very high43 Ų4335.1 Ų35.116%0.16218%0.181CC..Hα-helixtrans-65.3-44.2179.5-172.766.8178.6132.43.2112L97 A100 D101 Q104 Q165 L166 T167 L173L97-R169 HydrophobicContact CD2-CB 3.77Å; L97-R169 HydrophobicContact CD2-CG 3.7Å; A100-R169 HydrophobicContact CB-CG 3.95Å; D101-R169 IonicContact OD1-CZ 3.48Å; D101-R169 IonicContact OD1-NE 3.93Å; D101-R169 PolarHBondContact OD1-NE 3.29Å; D101-R169 IonicContact OD1-NH2 3.51Å; D101-R169 PolarHBondContact OD1-NH2 3.36Å; Q104-R169 VanDerWaalsContact OE1-CZ 3.22Å; Q165-R169 PolarHBondContact O-N 2.89Å; Q165-R169 VanDerWaalsContact O-N 3.1Å; L166-R169 PolarHBondContact O-N 3.29Å; L166-R169 VanDerWaalsContact O-N 3.16Å; T167-R169 VanDerWaalsContact C-N 3.34Å; T167-R169 PolarHBondContact O-N 3.43Å; R169-L173 WeakPolarHBondContact O-CB 3.48Å; R169-L173 PolarHBondContact O-N 3.27Å
170L96.7Very high95Very high1 Ų139.6 Ų39.61%0.00520%0.201CC..Hα-helixtrans-66-43178.2-65.9179.5000111.4F126 L127 C130 F134 L166 T167 Q172 L173 V174 F196F126-L170 HydrophobicContact CD1-CD2 4.15Å; F126-L170 HydrophobicContact CE1-CD2 3.42Å; F126-L170 VanDerWaalsContact CE1-CD2 3.42Å; F126-L170 HydrophobicContact CZ-CD2 4.01Å; L127-L170 HydrophobicContact CD2-CB 4.06Å; L127-L170 HydrophobicContact CD2-CD1 4.04Å; L127-L170 HydrophobicContact CD2-CD2 4.16Å; L127-L170 HydrophobicContact CD2-CG 4.31Å; C130-L170 HydrophobicContact CB-CD1 4.01Å; F134-L170 HydrophobicContact CE2-CD1 3.61Å; F134-L170 HydrophobicContact CZ-CD1 3.83Å; L166-L170 HydrophobicContact CD1-CD1 4.17Å; L166-L170 HydrophobicContact CD1-CD2 4.36Å; L166-L170 HydrophobicContact CD1-CG 4.04Å; L166-L170 HydrophobicContact CG-CD1 4Å; L166-L170 HydrophobicContact CG-CG 4.26Å; L166-L170 WeakPolarHBondContact O-CG 3.41Å; L166-L170 PolarHBondContact O-N 3.32Å; T167-L170 PolarHBondContact O-N 3.15Å; L170-Q172 PolarHBondContact O-N 2.83Å; L170-L173 WeakPolarHBondContact O-CB 3.36Å; L170-L173 PolarHBondContact O-N 2.83Å; L170-V174 WeakPolarHBondContact O-CG2 3.48Å; L170-V174 PolarHBondContact O-N 2.8Å; L170-F196 HydrophobicContact CB-CE2 4.26Å; L170-F196 HydrophobicContact CB-CZ 4.15Å; L170-F196 HydrophobicContact CD1-CE2 4.24Å
171E95.4Very high94.8Very high19 Ų1942.6 Ų42.69%0.08923%0.232CC..Hα-helixtrans-57.9-49.7175.4-177.9-175.9170.300111.6T167 L173 V174 L175 F196 R213 K232T167-E171 WeakPolarHBondContact O-CB 3.39Å; T167-E171 PolarHBondContact O-N 3.17Å; E171-L173 VanDerWaalsContact C-N 3.29Å; E171-L173 PolarHBondContact O-N 2.9Å; E171-V174 PolarHBondContact O-N 2.89Å; E171-L175 HydrophobicContact CG-CD1 4Å; E171-L175 WeakPolarHBondContact O-CB 3.32Å; E171-L175 WeakPolarHBondContact O-CG 3.1Å; E171-L175 PolarHBondContact O-N 3Å; E171-F196 HydrophobicContact CB-CE1 4.33Å; E171-F196 HydrophobicContact CB-CZ 4.46Å; E171-R213 IonicContact OE1-NH2 3.06Å; E171-R213 IonicContact OE2-CZ 2.79Å; E171-R213 IonicContact OE2-NE 2.7Å; E171-R213 PolarHBondContact OE2-NE 3.4Å; E171-R213 IonicContact OE2-NH2 3.9Å; E171-R213 PolarHBondContact OE2-NH2 2.78Å; E171-K232 IonicContact OE1-NZ 3.16Å; E171-K232 PolarHBondContact OE1-NZ 3.23Å; E171-K232 IonicContact OE2-NZ 2.74Å
172Q95.4Very high94.6Very high111 Ų11138.7 Ų38.752%0.51921%0.214SC..Hα-helixtrans-59.2-41.4177.1-74.41730.100112.1L168 L170 M176L168-Q172 WeakPolarHBondContact O-CB 3.43Å; L168-Q172 VanDerWaalsContact O-CG 3.25Å; L168-Q172 WeakPolarHBondContact O-CG 3.48Å; L168-Q172 PolarHBondContact O-N 2.78Å; L170-Q172 PolarHBondContact O-N 2.83Å; Q172-M176 VanDerWaalsContact O-CB 3.28Å; Q172-M176 WeakPolarHBondContact O-CB 3.48Å; Q172-M176 PolarHBondContact O-N 2.83Å
173L95.8Very high94.5Very high1 Ų138.7 Ų38.71%0.00521%0.214CC..Hα-helixtrans-62.7-48.6178.7-178.764.7000111.3A100 F103 Q104 M123 F126 R169 L170 E171 M176 Y177A100-L173 HydrophobicContact CB-CD2 4.07Å; F103-L173 HydrophobicContact CB-CD1 3.95Å; F103-L173 HydrophobicContact CB-CD2 3.91Å; F103-L173 HydrophobicContact CG-CD2 4.36Å; Q104-L173 HydrophobicContact CB-CD1 4.2Å; M123-L173 HydrophobicContact CE-CD1 4.35Å; M123-L173 HydrophobicContact CE-CD2 3.96Å; M123-L173 HydrophobicContact CE-CG 3.73Å; M123-L173 HydrophobicContact SD-CD2 3.8Å; M123-L173 HydrophobicContact SD-CG 4.07Å; F126-L173 HydrophobicContact CD1-CD2 4.22Å; F126-L173 HydrophobicContact CE1-CD2 3.96Å; R169-L173 WeakPolarHBondContact O-CB 3.48Å; R169-L173 PolarHBondContact O-N 3.27Å; L170-L173 WeakPolarHBondContact O-CB 3.36Å; L170-L173 PolarHBondContact O-N 2.83Å; E171-L173 VanDerWaalsContact C-N 3.29Å; E171-L173 PolarHBondContact O-N 2.9Å; L173-M176 HydrophobicContact CD1-CE 3.77Å; L173-M176 WeakPolarHBondContact O-CB 3.3Å; L173-M176 PolarHBondContact O-N 2.6Å; L173-Y177 HydrophobicContact CD1-CD2 4.06Å; L173-Y177 HydrophobicContact CD1-CE2 3.79Å; L173-Y177 HydrophobicContact CG-CD2 4.41Å; L173-Y177 HydrophobicContact CG-CE2 4.44Å; L173-Y177 WeakPolarHBondContact O-CD2 3.47Å; L173-Y177 PolarHBondContact O-N 3.46Å
174V95.6Very high94.3Very high0 Ų041.9 Ų41.90%023%0.231CC..Hα-helixtrans-63.6-45.3179.4174.50000111M123 L127 L170 E171 M176 Y177 A178 V183 L185 I193 C215M123-V174 HydrophobicContact CG-CG2 4.17Å; M123-V174 HydrophobicContact SD-CG2 4.21Å; L127-V174 HydrophobicContact CD1-CG2 4.07Å; L127-V174 HydrophobicContact CD2-CG2 4.29Å; L170-V174 WeakPolarHBondContact O-CG2 3.48Å; L170-V174 PolarHBondContact O-N 2.8Å; E171-V174 PolarHBondContact O-N 2.89Å; V174-M176 VanDerWaalsContact C-N 3.26Å; V174-M176 PolarHBondContact O-N 2.83Å; V174-Y177 PolarHBondContact O-N 2.76Å; V174-A178 WeakPolarHBondContact O-CB 3.27Å; V174-A178 PolarHBondContact O-N 2.69Å; V174-V183 HydrophobicContact CG1-CG1 4.39Å; V174-L185 HydrophobicContact CG1-CD2 3.49Å; V174-L185 VanDerWaalsContact CG1-CD2 3.49Å; V174-I193 HydrophobicContact CG1-CB 4.45Å; V174-I193 HydrophobicContact CG1-CG2 4.21Å; V174-I193 HydrophobicContact CG2-CG2 4.49Å; V174-C215 HydrophobicContact CG1-CB 3.94Å; V174-C215 VanDerWaalsContact CG1-SG 3.6Å
175L94.8Very high94.2Very high63 Ų6341.5 Ų41.533%0.3323%0.23SC..Hα-helixtrans-58.2-40175.6-79.3174000112.4E171 A178 S179 L185 C215 T216E171-L175 HydrophobicContact CG-CD1 4Å; E171-L175 WeakPolarHBondContact O-CB 3.32Å; E171-L175 WeakPolarHBondContact O-CG 3.1Å; E171-L175 PolarHBondContact O-N 3Å; L175-A178 PolarHBondContact O-N 3Å; L175-S179 PolarHBondContact O-N 2.88Å; L175-L185 HydrophobicContact CD2-CD1 4.16Å; L175-C215 WeakPolarHBondContact CD2-O 3.43Å; L175-T216 HydrophobicContact CD2-CG2 3.45Å; L175-T216 VanDerWaalsContact CD2-CG2 3.45Å
176M94.4Very high93.8Very high33 Ų3342.3 Ų42.316%0.16323%0.234CC..Hα-helixtrans-65.2-45.9176.7-174.3-178.763.800110.8Q104 L107 L108 Q172 L173 V174 A178 S179 F180Q104-M176 HydrophobicContact CB-CE 3.6Å; Q104-M176 HydrophobicContact CG-CE 3.5Å; Q104-M176 VanDerWaalsContact CG-CE 3.5Å; Q104-M176 HydrophobicContact CG-SD 3.97Å; L107-M176 HydrophobicContact CD2-CB 4.48Å; L107-M176 HydrophobicContact CD2-CE 3.49Å; L107-M176 VanDerWaalsContact CD2-CE 3.49Å; L107-M176 HydrophobicContact CD2-CG 3.65Å; L107-M176 HydrophobicContact CD2-SD 4Å; L108-M176 HydrophobicContact CD2-SD 4.47Å; Q172-M176 VanDerWaalsContact O-CB 3.28Å; Q172-M176 WeakPolarHBondContact O-CB 3.48Å; Q172-M176 PolarHBondContact O-N 2.83Å; L173-M176 HydrophobicContact CD1-CE 3.77Å; L173-M176 WeakPolarHBondContact O-CB 3.3Å; L173-M176 PolarHBondContact O-N 2.6Å; V174-M176 VanDerWaalsContact C-N 3.26Å; V174-M176 PolarHBondContact O-N 2.83Å; M176-A178 VanDerWaalsContact C-N 3.31Å; M176-A178 PolarHBondContact O-N 3.3Å; M176-S179 PolarHBondContact O-N 3.01Å; M176-S179 PolarHBondContact O-OG 2.99Å; M176-F180 HydrophobicContact CG-CD2 4.47Å; M176-F180 HydrophobicContact CG-CE2 4.13Å; M176-F180 VanDerWaalsContact O-CD2 3.24Å; M176-F180 WeakPolarHBondContact O-CD2 3.45Å; M176-F180 PolarHBondContact O-N 3.42Å
177Y94.3Very high93.3Very high0 Ų045.8 Ų45.80%025%0.25CC..Hα-helixtrans-62.8-37.1175.9-89.6-104.7000113.2F103 L107 L119 A120 M123 L173 V174 F180 G181 F182 V183F103-Y177 PolarHBondContact O-OH 2.81Å; L107-Y177 HydrophobicContact CB-CE2 3.94Å; L107-Y177 HydrophobicContact CD1-CD1 4.09Å; L107-Y177 HydrophobicContact CD1-CE1 3.89Å; L107-Y177 HydrophobicContact CD1-CE2 4.36Å; L107-Y177 HydrophobicContact CD1-CG 4.42Å; L107-Y177 HydrophobicContact CD2-CD2 3.67Å; L107-Y177 HydrophobicContact CD2-CE2 3.72Å; L107-Y177 HydrophobicContact CD2-CG 4.13Å; L107-Y177 HydrophobicContact CG-CE2 4.23Å; L119-Y177 WeakPolarHBondContact CD2-OH 3.37Å; L119-Y177 WeakPolarHBondContact CG-OH 3.22Å; A120-Y177 HydrophobicContact CB-CD1 3.87Å; A120-Y177 HydrophobicContact CB-CE1 4.12Å; M123-Y177 HydrophobicContact CE-CD1 4.01Å; M123-Y177 HydrophobicContact CE-CD2 3.25Å; M123-Y177 HydrophobicContact CE-CE1 4.17Å; M123-Y177 HydrophobicContact CE-CE2 3.46Å; M123-Y177 VanDerWaalsContact CE-CE2 3.46Å; M123-Y177 HydrophobicContact CE-CG 3.55Å; L173-Y177 HydrophobicContact CD1-CD2 4.06Å; L173-Y177 HydrophobicContact CD1-CE2 3.79Å; L173-Y177 HydrophobicContact CG-CD2 4.41Å; L173-Y177 HydrophobicContact CG-CE2 4.44Å; L173-Y177 WeakPolarHBondContact O-CD2 3.47Å; L173-Y177 PolarHBondContact O-N 3.46Å; V174-Y177 PolarHBondContact O-N 2.76Å; Y177-F180 PolarHBondContact O-N 3.17Å; Y177-G181 PolarHBondContact O-N 2.91Å; Y177-F182 HydrophobicContact CD1-CB 4.19Å; Y177-F182 PolarHBondContact O-N 2.97Å; Y177-F182 VanDerWaalsContact O-N 3.12Å; Y177-V183 HydrophobicContact CD1-CG2 4.43Å; Y177-V183 HydrophobicContact CG-CG2 4.48Å
178A93.9Very high92.6Very high25 Ų2551 Ų5121%0.20728%0.282CS..Hα-helixtrans-65.9-36.2175.700000112.4V174 L175 M176 F180 G181 V183 L185V174-A178 WeakPolarHBondContact O-CB 3.27Å; V174-A178 PolarHBondContact O-N 2.69Å; L175-A178 PolarHBondContact O-N 3Å; M176-A178 VanDerWaalsContact C-N 3.31Å; M176-A178 PolarHBondContact O-N 3.3Å; A178-F180 VanDerWaalsContact C-N 3.25Å; A178-F180 PolarHBondContact O-N 3.34Å; A178-G181 WeakPolarHBondContact O-CA 3.24Å; A178-G181 PolarHBondContact O-N 3.08Å; A178-V183 WeakPolarHBondContact CA-O 3.25Å; A178-V183 WeakPolarHBondContact CB-O 3.06Å; A178-L185 HydrophobicContact CB-CD1 3.41Å; A178-L185 VanDerWaalsContact CB-CD1 3.41Å; A178-L185 HydrophobicContact CB-CD2 4.25Å; A178-L185 HydrophobicContact CB-CG 3.69Å
179S92.9Very high92.2Very high94 Ų9450 Ų5066%0.65728%0.277SS*.Hα-helixtrans-67.1-25.6177.676.70000113.5L175 M176 G181L175-S179 PolarHBondContact O-N 2.88Å; M176-S179 PolarHBondContact O-N 3.01Å; M176-S179 PolarHBondContact O-OG 2.99Å; S179-G181 VanDerWaalsContact C-N 3.31Å
180F90.3Very high91.6Very high101 Ų10153.8 Ų53.844%0.44331%0.307SS..THydrogen-bonded Turntrans-85-0.5169.3-72.3-86000113.6L107 L108 M176 Y177 A178 F182L107-F180 HydrophobicContact CD1-CB 4.49Å; L107-F180 HydrophobicContact CD1-CD2 4.15Å; L107-F180 HydrophobicContact CD1-CG 4.33Å; L107-F180 HydrophobicContact CD2-CD2 3.61Å; L107-F180 HydrophobicContact CD2-CE2 3.76Å; L107-F180 HydrophobicContact CG-CD2 4Å; L107-F180 HydrophobicContact CG-CE2 4.11Å; L108-F180 HydrophobicContact CD2-CE2 4.34Å; L108-F180 HydrophobicContact CD2-CZ 4.14Å; M176-F180 HydrophobicContact CG-CD2 4.47Å; M176-F180 HydrophobicContact CG-CE2 4.13Å; M176-F180 VanDerWaalsContact O-CD2 3.24Å; M176-F180 WeakPolarHBondContact O-CD2 3.45Å; M176-F180 PolarHBondContact O-N 3.42Å; Y177-F180 PolarHBondContact O-N 3.17Å; A178-F180 VanDerWaalsContact C-N 3.25Å; A178-F180 PolarHBondContact O-N 3.34Å; F180-F182 VanDerWaalsContact C-N 3.34Å; F180-F182 HydrophobicContact CB-CD2 3.47Å; F180-F182 VanDerWaalsContact CB-CD2 3.47Å; F180-F182 HydrophobicContact CB-CE2 3.55Å; F180-F182 HydrophobicContact CG-CD2 4.49Å; F180-F182 HydrophobicContact CG-CE2 4.29Å
181G90.1Very high91Very high65 Ų6561.2 Ų61.267%0.6735%0.346SS*.THydrogen-bonded Turntrans74.718.7178.900000114.7Y177 A178 S179Y177-G181 PolarHBondContact O-N 2.91Å; A178-G181 WeakPolarHBondContact O-CA 3.24Å; A178-G181 PolarHBondContact O-N 3.08Å; S179-G181 VanDerWaalsContact C-N 3.31Å
182F90.8Very high90.8Very high47 Ų4761.4 Ų61.421%0.20635%0.349CS..SBendtrans-89.7-20.7178.8-66.4-61.9000113.7L107 R113 K116 E117 A120 Y177 F180L107-F182 HydrophobicContact CD1-CD2 3.66Å; L107-F182 HydrophobicContact CD1-CE2 3.68Å; R113-F182 HydrophobicContact CG-CE1 4.28Å; K116-F182 HydrophobicContact CB-CD2 4.48Å; K116-F182 HydrophobicContact CB-CE1 3.95Å; K116-F182 HydrophobicContact CB-CE2 3.88Å; K116-F182 HydrophobicContact CB-CZ 3.59Å; K116-F182 HydrophobicContact CD-CE2 3.9Å; K116-F182 HydrophobicContact CD-CZ 3.79Å; K116-F182 HydrophobicContact CG-CE2 4.47Å; K116-F182 HydrophobicContact CG-CZ 4.33Å; E117-F182 HydrophobicContact CG-CD1 3.72Å; E117-F182 HydrophobicContact CG-CE1 3.72Å; A120-F182 HydrophobicContact CB-CB 3.67Å; Y177-F182 HydrophobicContact CD1-CB 4.19Å; Y177-F182 PolarHBondContact O-N 2.97Å; Y177-F182 VanDerWaalsContact O-N 3.12Å; F180-F182 VanDerWaalsContact C-N 3.34Å; F180-F182 HydrophobicContact CB-CD2 3.47Å; F180-F182 VanDerWaalsContact CB-CD2 3.47Å; F180-F182 HydrophobicContact CB-CE2 3.55Å; F180-F182 HydrophobicContact CG-CD2 4.49Å; F180-F182 HydrophobicContact CG-CE2 4.29Å
183V92.5Very high90.6Very high16 Ų1656.8 Ų56.810%0.09733%0.328CS..SBendtrans-128131.9-179.8172.70000108.4A120 V174 Y177 A178 L185 I193A120-V183 HydrophobicContact CB-CG2 4.2Å; V174-V183 HydrophobicContact CG1-CG1 4.39Å; Y177-V183 HydrophobicContact CD1-CG2 4.43Å; Y177-V183 HydrophobicContact CG-CG2 4.48Å; A178-V183 WeakPolarHBondContact CA-O 3.25Å; A178-V183 WeakPolarHBondContact CB-O 3.06Å; V183-L185 HydrophobicContact CG1-CD2 3.74Å; V183-I193 HydrophobicContact CG1-CB 3.89Å; V183-I193 HydrophobicContact CG1-CD1 3.69Å; V183-I193 HydrophobicContact CG1-CG1 3.81Å; V183-I193 HydrophobicContact CG2-CD1 4.25Å
184D91.9Very high90.4Very high67 Ų6757.5 Ų57.536%0.35833%0.333SS..  trans-89.7140.7170.2-173.513.2000110.1E186 N189 S192 I193D184-E186 WeakPolarHBondContact OD1-CB 3.41Å; D184-E186 PolarHBondContact OD1-N 2.81Å; D184-N189 PolarHBondContact OD2-ND2 2.55Å; D184-S192 CarbonylContact O-C 3.58Å; D184-S192 WeakPolarHBondContact O-CA 3.29Å; D184-S192 WeakPolarHBondContact O-CB 3.24Å; D184-I193 PolarHBondContact O-N 2.87Å
185L92.6Very high90.4Very high20 Ų2059.1 Ų59.111%0.10534%0.344CS..  trans-117.66-179.4-53.6-178.1000112.2V174 L175 A178 V183 E187 I193 S194 C215 T216V174-L185 HydrophobicContact CG1-CD2 3.49Å; V174-L185 VanDerWaalsContact CG1-CD2 3.49Å; L175-L185 HydrophobicContact CD2-CD1 4.16Å; A178-L185 HydrophobicContact CB-CD1 3.41Å; A178-L185 VanDerWaalsContact CB-CD1 3.41Å; A178-L185 HydrophobicContact CB-CD2 4.25Å; A178-L185 HydrophobicContact CB-CG 3.69Å; V183-L185 HydrophobicContact CG1-CD2 3.74Å; L185-E187 PolarHBondContact O-N 2.81Å; L185-I193 HydrophobicContact CD2-CB 4.36Å; L185-I193 WeakPolarHBondContact CD2-O 3.34Å; L185-S194 WeakPolarHBondContact O-CB 3.47Å; L185-C215 HydrophobicContact CD1-CB 4.26Å; L185-C215 HydrophobicContact CD2-CB 4.15Å; L185-T216 HydrophobicContact CB-CG2 4.5Å; L185-T216 HydrophobicContact CD1-CG2 3.4Å; L185-T216 VanDerWaalsContact CD1-CG2 3.4Å
186E89.1Confident90.4Very high112 Ų11256.7 Ų56.752%0.52333%0.331SS..  trans-69.9117.7178.7-161.5-175.5168.200111.9D184 T188 N189 S192D184-E186 WeakPolarHBondContact OD1-CB 3.41Å; D184-E186 PolarHBondContact OD1-N 2.81Å; E186-T188 VanDerWaalsContact CG-OG1 3.26Å; E186-T188 WeakPolarHBondContact CG-OG1 3.01Å; E186-T188 PolarHBondContact O-N 3Å; E186-T188 VanDerWaalsContact O-N 3.15Å; E186-T188 PolarHBondContact OE1-OG1 3.47Å; E186-N189 HydrophobicContact CB-CB 4.49Å; E186-N189 PolarHBondContact O-N 3.1Å; E186-S192 WeakPolarHBondContact O-CB 3.42Å; E186-S192 PolarHBondContact O-OG 3.48Å
187E84.4Confident90.5Very high73 Ų7356.4 Ų56.434%0.34133%0.329SS..THydrogen-bonded Turntrans-61.4-25-177-171.9179-154.500114.1L185 N189 Y214 K231L185-E187 PolarHBondContact O-N 2.81Å; E187-N189 VanDerWaalsContact C-N 3.27Å; E187-N189 PolarHBondContact O-N 3.16Å; E187-Y214 HydrophobicContact CG-CE1 4.49Å; E187-Y214 WeakPolarHBondContact OE1-CE1 3.15Å; E187-Y214 PolarHBondContact OE1-OH 2.74Å; E187-K231 IonicContact OE1-NZ 2.87Å; E187-K231 PolarHBondContact OE1-NZ 3.42Å; E187-K231 WeakPolarHBondContact OE2-CE 3.33Å; E187-K231 IonicContact OE2-NZ 2.9Å; E187-K231 PolarHBondContact OE2-NZ 2.76Å
188T82.7Confident90.6Very high109 Ų10956.4 Ų56.467%0.66933%0.329SS*.THydrogen-bonded Turntrans-72.3-21.5177.2610000112.4E186E186-T188 VanDerWaalsContact CG-OG1 3.26Å; E186-T188 WeakPolarHBondContact CG-OG1 3.01Å; E186-T188 PolarHBondContact O-N 3Å; E186-T188 VanDerWaalsContact O-N 3.15Å; E186-T188 PolarHBondContact OE1-OG1 3.47Å
189N85.9Confident90.7Very high49 Ų4955.2 Ų55.226%0.26232%0.319SS..  trans-88.5118.5179.5179.90.2000110.1D184 E186 E187 L191 S192D184-N189 PolarHBondContact OD2-ND2 2.55Å; E186-N189 HydrophobicContact CB-CB 4.49Å; E186-N189 PolarHBondContact O-N 3.1Å; E187-N189 VanDerWaalsContact C-N 3.27Å; E187-N189 PolarHBondContact O-N 3.16Å; N189-L191 PolarHBondContact O-N 3.02Å; N189-L191 VanDerWaalsContact O-N 3.17Å; N189-L191 PolarHBondContact OD1-N 3.46Å; N189-S192 VanDerWaalsContact O-CB 3.27Å; N189-S192 WeakPolarHBondContact O-CB 3.46Å; N189-S192 PolarHBondContact O-N 3.45Å; N189-S192 PolarHBondContact O-OG 3.45Å
190P83.8Confident90.9Very high123 Ų12354.1 Ų54.180%0.79930%0.301SS*.THydrogen-bonded Turntrans-67.5-14.6-179.628.6-36.6000113.9
191L84.8Confident91.1Very high158 Ų15849.5 Ų49.583%0.82728%0.28SS*.THydrogen-bonded Turntrans-95.10.2176.3-57.3178.1000112.8N189N189-L191 PolarHBondContact O-N 3.02Å; N189-L191 VanDerWaalsContact O-N 3.17Å; N189-L191 PolarHBondContact OD1-N 3.46Å
192S90.4Very high91.3Very high22 Ų2248.4 Ų48.415%0.15426%0.262CS..SBendtrans-75.4161.9179.572.90000112.6D184 E186 N189D184-S192 CarbonylContact O-C 3.58Å; D184-S192 WeakPolarHBondContact O-CA 3.29Å; D184-S192 WeakPolarHBondContact O-CB 3.24Å; E186-S192 WeakPolarHBondContact O-CB 3.42Å; E186-S192 PolarHBondContact O-OG 3.48Å; N189-S192 VanDerWaalsContact O-CB 3.27Å; N189-S192 WeakPolarHBondContact O-CB 3.46Å; N189-S192 PolarHBondContact O-N 3.45Å; N189-S192 PolarHBondContact O-OG 3.45Å
193I91.8Very high91.3Very high14 Ų1447 Ų477%0.07226%0.257CS..  trans-108.357.1168.6-47.2-179.4000108.5M123 P124 L127 V174 V183 D184 L185 C195M123-I193 HydrophobicContact CB-CD1 3.86Å; M123-I193 HydrophobicContact CG-CD1 3.77Å; P124-I193 HydrophobicContact CB-CD1 4.5Å; P124-I193 HydrophobicContact CG-CD1 3.63Å; P124-I193 HydrophobicContact CG-CG1 4.09Å; L127-I193 HydrophobicContact CD1-CG2 3.38Å; V174-I193 HydrophobicContact CG1-CB 4.45Å; V174-I193 HydrophobicContact CG1-CG2 4.21Å; V174-I193 HydrophobicContact CG2-CG2 4.49Å; V183-I193 HydrophobicContact CG1-CB 3.89Å; V183-I193 HydrophobicContact CG1-CD1 3.69Å; V183-I193 HydrophobicContact CG1-CG1 3.81Å; V183-I193 HydrophobicContact CG2-CD1 4.25Å; D184-I193 PolarHBondContact O-N 2.87Å; L185-I193 HydrophobicContact CD2-CB 4.36Å; L185-I193 WeakPolarHBondContact CD2-O 3.34Å; I193-C195 VanDerWaalsContact C-N 3.33Å; I193-C195 PolarHBondContact O-N 2.66Å
194S92.1Very high91Very high16 Ų1647.7 Ų47.711%0.11226%0.263CS..  trans-65.2-34.5-177.957.70000113.3L185 Y214 C215L185-S194 WeakPolarHBondContact O-CB 3.47Å; S194-Y214 WeakPolarHBondContact O-CA 3.48Å; S194-C215 PolarHBondContact O-N 2.94Å
195C94.1Very high90.8Very high34 Ų3451 Ų5123%0.2329%0.288CS..EExtended strand (participates in β ladder)trans-147.5163.6176.565.90000112.1I193 R213 Y214I193-C195 VanDerWaalsContact C-N 3.33Å; I193-C195 PolarHBondContact O-N 2.66Å; C195-R213 CarbonylContact C-O 3.56Å; C195-R213 WeakPolarHBondContact CA-O 3.18Å; C195-R213 WeakPolarHBondContact CB-O 2.88Å; C195-Y214 HydrophobicContact CB-CD1 3.85Å; C195-Y214 HydrophobicContact CB-CE1 4.17Å; C195-Y214 HydrophobicContact CB-CG 4.07Å
196F95.5Very high90.5Very high12 Ų1252 Ų525%0.05330%0.296CS..EExtended strand (participates in β ladder)trans-134.2157.6173.764.2-84.8000111.4L127 F134 T167 L170 E171 C198 F212 R213L127-F196 HydrophobicContact CD1-CB 4.19Å; L127-F196 HydrophobicContact CD2-CB 4.34Å; L127-F196 HydrophobicContact CD2-CG 4.34Å; F134-F196 HydrophobicContact CE2-CE2 4.41Å; F134-F196 HydrophobicContact CZ-CE2 4.35Å; T167-F196 HydrophobicContact CG2-CE2 4.25Å; T167-F196 HydrophobicContact CG2-CZ 3.99Å; L170-F196 HydrophobicContact CB-CE2 4.26Å; L170-F196 HydrophobicContact CB-CZ 4.15Å; L170-F196 HydrophobicContact CD1-CE2 4.24Å; E171-F196 HydrophobicContact CB-CE1 4.33Å; E171-F196 HydrophobicContact CB-CZ 4.46Å; F196-C198 WeakPolarHBondContact CE2-SG 3.41Å; F196-F212 CarbonylContact O-C 3.55Å; F196-F212 VanDerWaalsContact O-CA 3.29Å; F196-F212 WeakPolarHBondContact O-CA 3.43Å; F196-R213 HydrophobicContact CE1-CB 4.25Å; F196-R213 HydrophobicContact CZ-CB 4.21Å; F196-R213 PolarHBondContact N-O 3.02Å; F196-R213 PolarHBondContact O-N 2.76Å
197F96.8Very high90.6Very high28 Ų2849.1 Ų49.112%0.12328%0.283CS..EExtended strand (participates in β ladder)trans-75.8131.9179.3175.3-99.8000111.1E131 F134 L135 G199 R200 F212E131-F197 HydrophobicContact CB-CD1 3.78Å; E131-F197 HydrophobicContact CB-CE1 4.24Å; E131-F197 HydrophobicContact CG-CB 4.1Å; E131-F197 HydrophobicContact CG-CD1 3.78Å; E131-F197 HydrophobicContact CG-CG 4.36Å; F134-F197 WeakPolarHBondContact CD2-O 3.37Å; L135-F197 HydrophobicContact CB-CE1 4.49Å; L135-F197 HydrophobicContact CD1-CZ 4.21Å; F197-G199 VanDerWaalsContact CE2-C 3.48Å; F197-G199 WeakPolarHBondContact CE2-O 3.31Å; F197-G199 WeakPolarHBondContact CZ-O 3.24Å; F197-R200 HydrophobicContact CE2-CB 4.17Å; F197-R200 HydrophobicContact CZ-CB 3.86Å; F197-F212 HydrophobicContact CB-CD1 4.21Å; F197-F212 HydrophobicContact CB-CE1 4.05Å; F197-F212 HydrophobicContact CD2-CD1 4.44Å; F197-F212 AromaticContact CD2-CE1 3.91Å; F197-F212 HydrophobicContact CD2-CE1 3.91Å; F197-F212 HydrophobicContact CD2-CE2 4.49Å; F197-F212 AromaticContact CD2-CZ 3.93Å; F197-F212 HydrophobicContact CD2-CZ 3.93Å; F197-F212 HydrophobicContact CG-CE1 4.5Å
198C96.4Very high91.1Very high0 Ų047.1 Ų47.10%027%0.274CS..EExtended strand (participates in β ladder)trans-11717.3-178.5-58.50000112.6E138 F196 I211 R213E138-C198 VanDerWaalsContact CG-O 3.31Å; E138-C198 WeakPolarHBondContact CG-O 3.18Å; F196-C198 WeakPolarHBondContact CE2-SG 3.41Å; C198-I211 HydrophobicContact CB-CB 4.18Å; C198-I211 HydrophobicContact CB-CG2 4.03Å; C198-I211 PolarHBondContact N-O 2.91Å; C198-R213 WeakPolarHBondContact SG-CB 3.4Å
199G96.4Very high91.7Very high0 Ų042 Ų420%024%0.243CC..EExtended strand (participates in β ladder)trans116.5172173.900000114.4F197 I211F197-G199 VanDerWaalsContact CE2-C 3.48Å; F197-G199 WeakPolarHBondContact CE2-O 3.31Å; F197-G199 WeakPolarHBondContact CZ-O 3.24Å; G199-I211 PolarHBondContact O-N 2.97Å
200R96.3Very high92.3Very high71 Ų7140 Ų4027%0.26823%0.232SC..EExtended strand (participates in β ladder)trans-142143.3178.5177.8-175.9176132.9-1.3109.1L135 A139 F197 D208 V209 E238L135-R200 HydrophobicContact CD1-CB 4.01Å; A139-R200 PolarHBondContact N-O 3.36Å; F197-R200 HydrophobicContact CE2-CB 4.17Å; F197-R200 HydrophobicContact CZ-CB 3.86Å; R200-D208 IonicContact CZ-OD2 3.37Å; R200-D208 IonicContact NE-OD2 3.62Å; R200-D208 PolarHBondContact NE-OD2 2.87Å; R200-D208 IonicContact NH2-OD2 3.67Å; R200-D208 PolarHBondContact NH2-OD2 3.24Å; R200-V209 CarbonylContact C-O 3.57Å; R200-V209 WeakPolarHBondContact CA-O 3.34Å; R200-E238 IonicContact CZ-OE1 3.97Å; R200-E238 IonicContact CZ-OE2 3.83Å; R200-E238 VanDerWaalsContact NH1-CD 3.26Å; R200-E238 IonicContact NH1-OE1 3.04Å; R200-E238 PolarHBondContact NH1-OE1 2.93Å; R200-E238 IonicContact NH1-OE2 3.96Å; R200-E238 PolarHBondContact NH1-OE2 3.1Å; R200-E238 IonicContact NH2-OE2 3.88Å; R200-E238 PolarHBondContact NH2-OE2 3.36Å
201F95.3Very high92.9Very high3 Ų334.1 Ų34.11%0.01319%0.194CC..EExtended strand (participates in β ladder)trans-148.9161.8176.865.2-84.7000111.1R142 I203 V209 I211 T326 V330R142-F201 HydrophobicContact CB-CB 3.92Å; R142-F201 HydrophobicContact CB-CD1 4.28Å; R142-F201 HydrophobicContact CB-CD2 3.35Å; R142-F201 HydrophobicContact CB-CE2 3.84Å; R142-F201 HydrophobicContact CB-CG 3.59Å; R142-F201 HydrophobicContact CG-CD2 4.34Å; R142-F201 HydrophobicContact CG-CE2 4.48Å; R142-F201 HydrophobicContact CG-CG 4.44Å; F201-I203 HydrophobicContact CD2-CG1 4.02Å; F201-I203 HydrophobicContact CE2-CD1 3.97Å; F201-I203 HydrophobicContact CE2-CG1 3.49Å; F201-I203 VanDerWaalsContact CE2-CG1 3.49Å; F201-I203 HydrophobicContact CZ-CD1 4.45Å; F201-I203 HydrophobicContact CZ-CG1 4.4Å; F201-V209 HydrophobicContact CD1-CB 4.42Å; F201-V209 HydrophobicContact CE1-CB 3.92Å; F201-V209 HydrophobicContact CE1-CG1 3.83Å; F201-V209 HydrophobicContact CE2-CB 4.3Å; F201-V209 HydrophobicContact CZ-CB 3.86Å; F201-V209 HydrophobicContact CZ-CG1 3.93Å; F201-V209 HydrophobicContact CZ-CG2 4.49Å; F201-V209 PolarHBondContact N-O 3.41Å; F201-V209 PolarHBondContact O-N 3.13Å; F201-I211 HydrophobicContact CD1-CD1 4.14Å; F201-I211 HydrophobicContact CE1-CD1 3.87Å; F201-I211 HydrophobicContact CE1-CG1 4.14Å; F201-T326 HydrophobicContact CE1-CG2 3.8Å; F201-T326 HydrophobicContact CZ-CG2 3.89Å; F201-V330 HydrophobicContact CE2-CG2 3.63Å; F201-V330 HydrophobicContact CZ-CG2 3.51Å
202S93.3Very high93.5Very high43 Ų4328.3 Ų28.330%0.30116%0.163SC..EExtended strand (participates in β ladder)trans-106.5116.9-176-510000110.3S143 H207 D208S143-S202 WeakPolarHBondContact CA-O 3.4Å; S143-S202 PolarHBondContact OG-N 3.06Å; S202-H207 WeakPolarHBondContact CA-O 3.19Å; S202-D208 WeakPolarHBondContact CA-OD1 3.32Å; S202-D208 WeakPolarHBondContact CB-OD1 3.42Å; S202-D208 PolarHBondContact OG-OD1 3.23Å
203I90.8Very high93.7Very high16 Ų1627.4 Ų27.48%0.08216%0.156CC..EExtended strand (participates in β ladder)trans-80.5-30.8176.5-63.4178.4000110.6V144 F201 H207 V209 V330 L333 M334V144-I203 WeakPolarHBondContact CG2-O 3.25Å; F201-I203 HydrophobicContact CD2-CG1 4.02Å; F201-I203 HydrophobicContact CE2-CD1 3.97Å; F201-I203 HydrophobicContact CE2-CG1 3.49Å; F201-I203 VanDerWaalsContact CE2-CG1 3.49Å; F201-I203 HydrophobicContact CZ-CD1 4.45Å; F201-I203 HydrophobicContact CZ-CG1 4.4Å; I203-H207 PolarHBondContact N-O 3.49Å; I203-V209 HydrophobicContact CD1-CB 4.4Å; I203-V209 HydrophobicContact CD1-CG2 3.39Å; I203-V209 HydrophobicContact CG1-CG2 4.02Å; I203-V330 HydrophobicContact CD1-CG1 4.43Å; I203-V330 HydrophobicContact CD1-CG2 4.02Å; I203-L333 HydrophobicContact CD1-CB 4.38Å; I203-L333 HydrophobicContact CD1-CD1 3.62Å; I203-M334 HydrophobicContact CG2-CG 4.02Å; I203-M334 HydrophobicContact CG2-SD 3.18Å; I203-M334 WeakPolarHBondContact CG2-SD 3.46Å
204S87.2Confident93.9Very high32 Ų3226.9 Ų26.922%0.22415%0.153CC..EExtended strand (participates in β ladder)trans-150.1170.5174.1760000109.1S206 H207S204-S206 PolarHBondContact O-N 3.26Å; S204-H207 PolarHBondContact N-O 2.97Å; S204-H207 PolarHBondContact O-N 3.09Å; S204-H207 VanDerWaalsContact O-N 3.08Å; S204-H207 WeakPolarHBondContact OG-CB 3.4Å; S204-H207 PolarHBondContact OG-N 3.08Å; S204-H207 PolarHBondContact OG-ND1 3.24Å
205P86.5Confident93.8Very high136 Ų13626.2 Ų26.288%0.88315%0.148SC*.THydrogen-bonded Turntrans-56.6-23.1-179.5-2635.6000114.6
206S87.4Confident93.6Very high41 Ų4126.6 Ų26.629%0.28715%0.15SC..THydrogen-bonded Turntrans-111.51.8-179.253.30000114.4S204 T239 T240S204-S206 PolarHBondContact O-N 3.26Å; S206-T239 CarbonylContact O-C 3.49Å; S206-T239 VanDerWaalsContact O-CA 3.3Å; S206-T239 WeakPolarHBondContact O-CA 3.43Å; S206-T240 VanDerWaalsContact CA-OG1 3.29Å; S206-T240 WeakPolarHBondContact CA-OG1 3.36Å; S206-T240 VanDerWaalsContact CB-O 3.24Å; S206-T240 WeakPolarHBondContact CB-O 3.38Å; S206-T240 PolarHBondContact O-N 3.05Å; S206-T240 PolarHBondContact O-OG1 3.31Å
207H91.2Very high93Very high51 Ų5128.6 Ų28.624%0.23616%0.164CC..EExtended strand (participates in β ladder)trans-131.2112.2-174.1-62.882.8000111.2S202 I203 S204 L237 E238S202-H207 WeakPolarHBondContact CA-O 3.19Å; I203-H207 PolarHBondContact N-O 3.49Å; S204-H207 PolarHBondContact N-O 2.97Å; S204-H207 PolarHBondContact O-N 3.09Å; S204-H207 VanDerWaalsContact O-N 3.08Å; S204-H207 WeakPolarHBondContact OG-CB 3.4Å; S204-H207 PolarHBondContact OG-N 3.08Å; S204-H207 PolarHBondContact OG-ND1 3.24Å; H207-L237 HydrophobicContact CB-CD1 4.07Å; H207-E238 WeakPolarHBondContact CA-O 3.36Å
208D94.4Very high92.5Very high32 Ų3227.8 Ų27.817%0.17116%0.162CC..EExtended strand (participates in β ladder)trans-108.9138.4174.6-73.8-28.1000110.9R200 S202 L237 E238R200-D208 IonicContact CZ-OD2 3.37Å; R200-D208 IonicContact NE-OD2 3.62Å; R200-D208 PolarHBondContact NE-OD2 2.87Å; R200-D208 IonicContact NH2-OD2 3.67Å; R200-D208 PolarHBondContact NH2-OD2 3.24Å; S202-D208 WeakPolarHBondContact CA-OD1 3.32Å; S202-D208 WeakPolarHBondContact CB-OD1 3.42Å; S202-D208 PolarHBondContact OG-OD1 3.23Å; D208-L237 CarbonylContact O-C 3.44Å; D208-L237 WeakPolarHBondContact O-CA 3.35Å; D208-E238 HydrophobicContact CB-CB 4.4Å; D208-E238 PolarHBondContact N-O 3.39Å; D208-E238 PolarHBondContact O-N 3.3Å
209V96.2Very high92.1Very high1 Ų130.2 Ų30.21%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-115.1118.7176.4176.50000109.5R200 F201 I203 W235 N236 L237 L333R200-V209 CarbonylContact C-O 3.57Å; R200-V209 WeakPolarHBondContact CA-O 3.34Å; F201-V209 HydrophobicContact CD1-CB 4.42Å; F201-V209 HydrophobicContact CE1-CB 3.92Å; F201-V209 HydrophobicContact CE1-CG1 3.83Å; F201-V209 HydrophobicContact CE2-CB 4.3Å; F201-V209 HydrophobicContact CZ-CB 3.86Å; F201-V209 HydrophobicContact CZ-CG1 3.93Å; F201-V209 HydrophobicContact CZ-CG2 4.49Å; F201-V209 PolarHBondContact N-O 3.41Å; F201-V209 PolarHBondContact O-N 3.13Å; I203-V209 HydrophobicContact CD1-CB 4.4Å; I203-V209 HydrophobicContact CD1-CG2 3.39Å; I203-V209 HydrophobicContact CG1-CG2 4.02Å; V209-W235 HydrophobicContact CG1-CB 4.12Å; V209-W235 HydrophobicContact CG1-CG 4.36Å; V209-N236 WeakPolarHBondContact CA-O 3.18Å; V209-L237 HydrophobicContact CG2-CD1 3.63Å; V209-L333 HydrophobicContact CG2-CD1 4.14Å
210S97.5Very high91.5Very high6 Ų631 Ų314%0.04219%0.185CC..EExtended strand (participates in β ladder)trans-100.2137170.7-60.30000110.2W235 N236S210-W235 CarbonylContact O-C 3.55Å; S210-W235 VanDerWaalsContact O-CA 3.27Å; S210-W235 WeakPolarHBondContact O-CA 3.31Å; S210-N236 PolarHBondContact N-O 2.89Å; S210-N236 PolarHBondContact O-N 3.27Å
211I97.6Very high90.6Very high0 Ų030.5 Ų30.50%019%0.19CC..EExtended strand (participates in β ladder)trans-111.8134.9-173.7-47159.7000110E138 C198 G199 F201 M233 T326E138-I211 HydrophobicContact CG-CD1 4.42Å; E138-I211 WeakPolarHBondContact OE2-CD1 3.43Å; C198-I211 HydrophobicContact CB-CB 4.18Å; C198-I211 HydrophobicContact CB-CG2 4.03Å; C198-I211 PolarHBondContact N-O 2.91Å; G199-I211 PolarHBondContact O-N 2.97Å; F201-I211 HydrophobicContact CD1-CD1 4.14Å; F201-I211 HydrophobicContact CE1-CD1 3.87Å; F201-I211 HydrophobicContact CE1-CG1 4.14Å; I211-M233 HydrophobicContact CG2-CE 3.59Å; I211-T326 HydrophobicContact CD1-CG2 4.12Å
212F96.7Very high89.5Confident36 Ų3630.9 Ų30.916%0.15819%0.194CC..EExtended strand (participates in β ladder)trans-132.7138.4175-59.4-95.8000110.1F196 F197 M233 R234F196-F212 CarbonylContact O-C 3.55Å; F196-F212 VanDerWaalsContact O-CA 3.29Å; F196-F212 WeakPolarHBondContact O-CA 3.43Å; F197-F212 HydrophobicContact CB-CD1 4.21Å; F197-F212 HydrophobicContact CB-CE1 4.05Å; F197-F212 HydrophobicContact CD2-CD1 4.44Å; F197-F212 AromaticContact CD2-CE1 3.91Å; F197-F212 HydrophobicContact CD2-CE1 3.91Å; F197-F212 HydrophobicContact CD2-CE2 4.49Å; F197-F212 AromaticContact CD2-CZ 3.93Å; F197-F212 HydrophobicContact CD2-CZ 3.93Å; F197-F212 HydrophobicContact CG-CE1 4.5Å; F212-M233 CarbonylContact O-C 3.54Å; F212-M233 WeakPolarHBondContact O-CA 3.35Å; F212-R234 HydrophobicContact CB-CB 4.29Å; F212-R234 VanDerWaalsContact CD1-NH2 3.34Å; F212-R234 VanDerWaalsContact CE2-NH2 3.3Å; F212-R234 VanDerWaalsContact CG-NH2 3.26Å; F212-R234 PolarHBondContact N-O 3.48Å; F212-R234 PolarHBondContact O-N 3.42Å
213R95.3Very high88.1Confident4 Ų431.1 Ų31.12%0.01520%0.196CC..EExtended strand (participates in β ladder)trans-115.9129.9178.1-173.1170.4-179.493.33.3110.7E171 C195 F196 C198 M233 E319E171-R213 IonicContact OE1-NH2 3.06Å; E171-R213 IonicContact OE2-CZ 2.79Å; E171-R213 IonicContact OE2-NE 2.7Å; E171-R213 PolarHBondContact OE2-NE 3.4Å; E171-R213 IonicContact OE2-NH2 3.9Å; E171-R213 PolarHBondContact OE2-NH2 2.78Å; C195-R213 CarbonylContact C-O 3.56Å; C195-R213 WeakPolarHBondContact CA-O 3.18Å; C195-R213 WeakPolarHBondContact CB-O 2.88Å; F196-R213 HydrophobicContact CE1-CB 4.25Å; F196-R213 HydrophobicContact CZ-CB 4.21Å; F196-R213 PolarHBondContact N-O 3.02Å; F196-R213 PolarHBondContact O-N 2.76Å; C198-R213 WeakPolarHBondContact SG-CB 3.4Å; R213-M233 HydrophobicContact CB-CG 4.48Å; R213-M233 HydrophobicContact CG-CG 4.22Å; R213-E319 IonicContact NH2-OE1 3.84Å
214Y94.6Very high86.8Confident3 Ų336 Ų361%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-80.5131.5175.4-72-89.9000110.4E187 S194 C195 T216 A218 K231 K232 R234E187-Y214 HydrophobicContact CG-CE1 4.49Å; E187-Y214 WeakPolarHBondContact OE1-CE1 3.15Å; E187-Y214 PolarHBondContact OE1-OH 2.74Å; S194-Y214 WeakPolarHBondContact O-CA 3.48Å; C195-Y214 HydrophobicContact CB-CD1 3.85Å; C195-Y214 HydrophobicContact CB-CE1 4.17Å; C195-Y214 HydrophobicContact CB-CG 4.07Å; Y214-T216 WeakPolarHBondContact CB-O 3.47Å; Y214-A218 HydrophobicContact CD1-CB 3.88Å; Y214-A218 HydrophobicContact CE1-CB 4.04Å; Y214-K231 HydrophobicContact CD2-CB 4.02Å; Y214-K231 HydrophobicContact CE2-CB 3.84Å; Y214-K231 HydrophobicContact CE2-CD 4.31Å; Y214-K232 PolarHBondContact N-O 3.48Å; Y214-K232 PolarHBondContact O-NZ 3.11Å; Y214-R234 HydrophobicContact CE2-CB 3.98Å
215C91.4Very high85.3Confident1 Ų142 Ų421%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-69.5-39.4-179.8-64.50000111.1V174 L175 L185 S194V174-C215 HydrophobicContact CG1-CB 3.94Å; V174-C215 VanDerWaalsContact CG1-SG 3.6Å; L175-C215 WeakPolarHBondContact CD2-O 3.43Å; L185-C215 HydrophobicContact CD1-CB 4.26Å; L185-C215 HydrophobicContact CD2-CB 4.15Å; S194-C215 PolarHBondContact O-N 2.94Å
216T89.4Confident84.2Confident43 Ų4336.7 Ų36.726%0.26421%0.206SC..EExtended strand (participates in β ladder)trans-122.7153.6171.3440000110.5L175 L185 Y214 A218L175-T216 HydrophobicContact CD2-CG2 3.45Å; L175-T216 VanDerWaalsContact CD2-CG2 3.45Å; L185-T216 HydrophobicContact CB-CG2 4.5Å; L185-T216 HydrophobicContact CD1-CG2 3.4Å; L185-T216 VanDerWaalsContact CD1-CG2 3.4Å; Y214-T216 WeakPolarHBondContact CB-O 3.47Å; T216-A218 PolarHBondContact O-N 3.05Å
217P82.4Confident83.4Confident53 Ų5344.4 Ų44.434%0.34423%0.229SC..EExtended strand (participates in β ladder)trans-57.3112171.4-25.336.1000111.7Y230 Y259P217-Y230 HydrophobicContact CB-CD1 4.27Å; P217-Y230 HydrophobicContact CB-CG 4.29Å; P217-Y259 HydrophobicContact CB-CE1 3.61Å; P217-Y259 WeakPolarHBondContact CB-OH 3.35Å; P217-Y259 HydrophobicContact CG-CE1 3.74Å; P217-Y259 VanDerWaalsContact CG-OH 3.27Å; P217-Y259 WeakPolarHBondContact CG-OH 3.41Å
218A86.2Confident83Confident12 Ų1248.1 Ų48.110%0.09924%0.241CC..EExtended strand (participates in β ladder)trans-96.2133.1178.800000109.8Y214 T216 Y220 Y230 K231Y214-A218 HydrophobicContact CD1-CB 3.88Å; Y214-A218 HydrophobicContact CE1-CB 4.04Å; T216-A218 PolarHBondContact O-N 3.05Å; A218-Y220 PolarHBondContact O-N 3.02Å; A218-Y230 CarbonylContact O-C 3.59Å; A218-Y230 WeakPolarHBondContact O-CA 3.45Å; A218-K231 PolarHBondContact N-O 2.99Å; A218-K231 PolarHBondContact O-N 2.75Å
219A87.4Confident82.8Confident50 Ų5046.9 Ų46.941%0.41324%0.235SC..EExtended strand (participates in β ladder)trans-59.3139.6179.500000111.3T221 Y230 K231A219-T221 HydrophobicContact CB-CG2 4.46Å; A219-T221 PolarHBondContact O-N 2.85Å; A219-Y230 HydrophobicContact CB-CE1 4.5Å; A219-K231 VanDerWaalsContact O-CE 3.29Å; A219-K231 WeakPolarHBondContact O-CE 3.44Å
220Y84.3Confident82.6Confident17 Ų1749.8 Ų49.87%0.06725%0.246CC..  trans-79.8102.4172-165.8-89.4000109.1A218 A222 L229 K231 F256 W286 D308 Y309A218-Y220 PolarHBondContact O-N 3.02Å; Y220-A222 VanDerWaalsContact C-N 3.32Å; Y220-A222 HydrophobicContact CD1-CB 3.6Å; Y220-A222 HydrophobicContact CE1-CB 3.33Å; Y220-A222 PolarHBondContact O-N 3.05Å; Y220-L229 WeakPolarHBondContact CB-O 3.16Å; Y220-L229 HydrophobicContact CD1-CD2 4.01Å; Y220-L229 HydrophobicContact CD2-CD2 4.19Å; Y220-L229 HydrophobicContact CG-CD2 3.77Å; Y220-L229 HydrophobicContact CG-CG 4.45Å; Y220-L229 PolarHBondContact N-O 2.86Å; Y220-K231 HydrophobicContact CD2-CD 3.91Å; Y220-K231 HydrophobicContact CD2-CG 3.74Å; Y220-F256 AromaticContact CE2-CD2 3.99Å; Y220-F256 HydrophobicContact CE2-CD2 3.99Å; Y220-F256 HydrophobicContact CE2-CE2 4.39Å; Y220-F256 HydrophobicContact CE2-CG 4.22Å; Y220-W286 HydrophobicContact CE1-CE3 4.09Å; Y220-W286 AromaticContact CE1-CZ3 3.91Å; Y220-W286 HydrophobicContact CE1-CZ3 3.91Å; Y220-W286 HydrophobicContact CE2-CE3 4.2Å; Y220-W286 AromaticContact CZ-CE3 3.52Å; Y220-W286 AromaticContact CZ-CZ3 3.82Å; Y220-D308 PolarHBondContact OH-O 3.04Å; Y220-Y309 HydrophobicContact CD2-CD2 4.39Å; Y220-Y309 HydrophobicContact CE1-CD2 4.31Å; Y220-Y309 HydrophobicContact CE1-CG 4.35Å; Y220-Y309 AromaticContact CE2-CD2 3.74Å; Y220-Y309 HydrophobicContact CE2-CD2 3.74Å; Y220-Y309 HydrophobicContact CE2-CE2 4.48Å; Y220-Y309 AromaticContact CZ-CD2 3.66Å; Y220-Y309 WeakPolarHBondContact OH-CA 3.15Å
221T76.9Confident82.4Confident60 Ų6050 Ų5037%0.36825%0.246SC..  trans-91.251.5-170.247.70000113.2A219 P305A219-T221 HydrophobicContact CB-CG2 4.46Å; A219-T221 PolarHBondContact O-N 2.85Å; T221-P305 WeakPolarHBondContact O-CD 3.44Å
222A72.1Confident82.3Confident11 Ų1150.5 Ų50.59%0.09125%0.248CC..  trans-89143.4174.400000112.7Y220 H224 W286 G307Y220-A222 VanDerWaalsContact C-N 3.32Å; Y220-A222 HydrophobicContact CD1-CB 3.6Å; Y220-A222 HydrophobicContact CE1-CB 3.33Å; Y220-A222 PolarHBondContact O-N 3.05Å; A222-H224 PolarHBondContact O-N 2.79Å; A222-W286 HydrophobicContact CB-CH2 4.22Å; A222-W286 HydrophobicContact CB-CZ3 3.88Å; A222-G307 VanDerWaalsContact CB-O 3.28Å; A222-G307 WeakPolarHBondContact CB-O 3.36Å
223S63.8Low82.2Confident49 Ų4948.8 Ų48.834%0.34324%0.241SC..SBendtrans-61.8-35.217961.90000114.8P306 G307S223-P306 WeakPolarHBondContact OG-CA 3.26Å; S223-G307 PolarHBondContact OG-O 3.47Å
224H63.7Low82.3Confident117 Ų11751.1 Ų51.154%0.54225%0.25SC..SBendtrans-118.281.8-174.3-66.7-76.8000110.4A222 L289A222-H224 PolarHBondContact O-N 2.79Å; H224-L289 HydrophobicContact CB-CD1 4.29Å
225F57.5Low82.4Confident158 Ų15851 Ų5169%0.69325%0.249SC*.SBendtrans69.9157.5171.1-116.8-104.7000117.1
226P62.5Low82.7Confident25 Ų2551.9 Ų51.916%0.16225%0.254CS..  cis-98.5148.4-12.77.714.7000113.3L229P226-L229 HydrophobicContact CB-CB 4.43Å; P226-L229 HydrophobicContact CG-CB 3.95Å; P226-L229 HydrophobicContact CG-CD1 4.5Å; P226-L229 HydrophobicContact CG-CD2 3.88Å; P226-L229 HydrophobicContact CG-CG 4.33Å
227R70.4Confident83Confident204 Ų20450.4 Ų50.477%0.7724%0.244SC*.THydrogen-bonded Turntrans-61.3142.5163.7-61.5-178.1-174.6178.51.7109.2L229R227-L229 VanDerWaalsContact C-N 3.35Å; R227-L229 PolarHBondContact O-N 3.4Å
228Y83.1Confident83.6Confident128 Ų12850.3 Ų50.350%0.50224%0.239SC..THydrogen-bonded Turntrans66.128.3177.7-39.7-74.6000115.3Y230 R260 D261Y228-Y230 WeakPolarHBondContact O-CD2 3.48Å; Y228-Y230 WeakPolarHBondContact O-CE2 3.18Å; Y228-R260 WeakPolarHBondContact O-CA 3.3Å; Y228-D261 PolarHBondContact O-N 2.9Å
229L89.6Confident83.8Confident7 Ų750.9 Ų50.94%0.03724%0.241CC..EExtended strand (participates in β ladder)trans-94.7128.3167.9-170.472.5000109.4Y220 P226 R227 C258 R260 Y309Y220-L229 WeakPolarHBondContact CB-O 3.16Å; Y220-L229 HydrophobicContact CD1-CD2 4.01Å; Y220-L229 HydrophobicContact CD2-CD2 4.19Å; Y220-L229 HydrophobicContact CG-CD2 3.77Å; Y220-L229 HydrophobicContact CG-CG 4.45Å; Y220-L229 PolarHBondContact N-O 2.86Å; P226-L229 HydrophobicContact CB-CB 4.43Å; P226-L229 HydrophobicContact CG-CB 3.95Å; P226-L229 HydrophobicContact CG-CD1 4.5Å; P226-L229 HydrophobicContact CG-CD2 3.88Å; P226-L229 HydrophobicContact CG-CG 4.33Å; R227-L229 VanDerWaalsContact C-N 3.35Å; R227-L229 PolarHBondContact O-N 3.4Å; L229-C258 HydrophobicContact CD1-CB 3.51Å; L229-C258 HydrophobicContact CD2-CB 4.17Å; L229-C258 HydrophobicContact CG-CB 3.76Å; L229-R260 HydrophobicContact CD1-CB 4.13Å; L229-Y309 HydrophobicContact CD2-CD1 3.69Å; L229-Y309 HydrophobicContact CD2-CD2 3.94Å; L229-Y309 HydrophobicContact CD2-CE1 4.05Å; L229-Y309 HydrophobicContact CD2-CE2 4.27Å; L229-Y309 HydrophobicContact CD2-CG 3.61Å
230Y92.4Very high83.6Confident61 Ų6151.7 Ų51.724%0.23924%0.241CC..EExtended strand (participates in β ladder)trans-124.8132.2-177.6-58.9-90.4000110.9P217 A218 A219 Y228 C258 Y259 D261P217-Y230 HydrophobicContact CB-CD1 4.27Å; P217-Y230 HydrophobicContact CB-CG 4.29Å; A218-Y230 CarbonylContact O-C 3.59Å; A218-Y230 WeakPolarHBondContact O-CA 3.45Å; A219-Y230 HydrophobicContact CB-CE1 4.5Å; Y228-Y230 WeakPolarHBondContact O-CD2 3.48Å; Y228-Y230 WeakPolarHBondContact O-CE2 3.18Å; Y230-C258 CarbonylContact O-C 3.48Å; Y230-C258 WeakPolarHBondContact O-CA 3.29Å; Y230-C258 WeakPolarHBondContact O-CB 3.11Å; Y230-Y259 HydrophobicContact CD2-CD2 4.14Å; Y230-Y259 AromaticContact CD2-CE2 3.45Å; Y230-Y259 HydrophobicContact CD2-CE2 3.45Å; Y230-Y259 VanDerWaalsContact CD2-CE2 3.45Å; Y230-Y259 AromaticContact CD2-CZ 3.77Å; Y230-Y259 HydrophobicContact CE2-CE2 4.24Å; Y230-Y259 HydrophobicContact CG-CE1 4.43Å; Y230-Y259 AromaticContact CG-CE2 3.98Å; Y230-Y259 HydrophobicContact CG-CE2 3.98Å; Y230-Y259 AromaticContact CG-CZ 3.79Å; Y230-Y259 PolarHBondContact N-O 3.46Å; Y230-Y259 PolarHBondContact O-N 3.3Å; Y230-D261 WeakPolarHBondContact CE2-OD2 3.33Å
231K93.6Very high83.1Confident11 Ų1155.8 Ų55.85%0.04827%0.268CS..EExtended strand (participates in β ladder)trans-77.9136.2177.1-62.6173.9-69-172.30110.2E187 Y214 A218 A219 Y220 F256E187-K231 IonicContact OE1-NZ 2.87Å; E187-K231 PolarHBondContact OE1-NZ 3.42Å; E187-K231 WeakPolarHBondContact OE2-CE 3.33Å; E187-K231 IonicContact OE2-NZ 2.9Å; E187-K231 PolarHBondContact OE2-NZ 2.76Å; Y214-K231 HydrophobicContact CD2-CB 4.02Å; Y214-K231 HydrophobicContact CE2-CB 3.84Å; Y214-K231 HydrophobicContact CE2-CD 4.31Å; A218-K231 PolarHBondContact N-O 2.99Å; A218-K231 PolarHBondContact O-N 2.75Å; A219-K231 VanDerWaalsContact O-CE 3.29Å; A219-K231 WeakPolarHBondContact O-CE 3.44Å; Y220-K231 HydrophobicContact CD2-CD 3.91Å; Y220-K231 HydrophobicContact CD2-CG 3.74Å; K231-F256 HydrophobicContact CD-CD1 3.72Å; K231-F256 HydrophobicContact CD-CE1 3.75Å; K231-F256 HydrophobicContact CG-CD1 3.96Å; K231-F256 HydrophobicContact CG-CE1 4.49Å
232K94.7Very high82.3Confident10 Ų1062 Ų624%0.04329%0.293CS..EExtended strand (participates in β ladder)trans-117.9-36.3172.6-174.558.5176168.60112.6E171 Y214 L257 W281 E319E171-K232 IonicContact OE1-NZ 3.16Å; E171-K232 PolarHBondContact OE1-NZ 3.23Å; E171-K232 IonicContact OE2-NZ 2.74Å; Y214-K232 PolarHBondContact N-O 3.48Å; Y214-K232 PolarHBondContact O-NZ 3.11Å; K232-L257 HydrophobicContact CB-CD2 4.17Å; K232-L257 HydrophobicContact CB-CG 4.37Å; K232-L257 HydrophobicContact CG-CD2 4.25Å; K232-L257 PolarHBondContact N-O 3.37Å; K232-W281 HydrophobicContact CB-CH2 4.17Å; K232-W281 HydrophobicContact CB-CZ3 3.65Å; K232-W281 HydrophobicContact CG-CH2 4.01Å; K232-W281 HydrophobicContact CG-CZ3 3.82Å; K232-E319 WeakPolarHBondContact CE-OE1 3.44Å
233M95.7Very high81.1Confident0 Ų065.3 Ų65.30%032%0.32CS..EExtended strand (participates in β ladder)trans-139.9151.9174.7-63.1179.364.900110.5I211 F212 R213 W235 F256 L257 H322 A325I211-M233 HydrophobicContact CG2-CE 3.59Å; F212-M233 CarbonylContact O-C 3.54Å; F212-M233 WeakPolarHBondContact O-CA 3.35Å; R213-M233 HydrophobicContact CB-CG 4.48Å; R213-M233 HydrophobicContact CG-CG 4.22Å; M233-W235 HydrophobicContact CB-CH2 4.13Å; M233-W235 HydrophobicContact CB-CZ2 4.21Å; M233-W235 HydrophobicContact CB-CZ3 4.39Å; M233-W235 HydrophobicContact CE-CZ2 3.86Å; M233-W235 HydrophobicContact SD-CZ2 4.23Å; M233-F256 VanDerWaalsContact O-CA 3.31Å; M233-F256 WeakPolarHBondContact O-CA 3.34Å; M233-L257 HydrophobicContact CB-CB 3.9Å; M233-L257 HydrophobicContact CB-CD2 4.43Å; M233-L257 HydrophobicContact CG-CD2 4.17Å; M233-L257 PolarHBondContact N-O 2.96Å; M233-L257 PolarHBondContact O-N 3.37Å; M233-L257 HydrophobicContact SD-CD2 4.1Å; M233-H322 HydrophobicContact CE-CB 4.06Å; M233-H322 WeakPolarHBondContact CE-ND1 3.32Å; M233-H322 HydrophobicContact SD-CB 4.17Å; M233-A325 HydrophobicContact SD-CB 4.36Å
234R96.2Very high80.2Confident54 Ų5467.7 Ų67.720%0.20434%0.337CS..EExtended strand (participates in β ladder)trans-125136.5173.1177.4-172.176.9-171.41.2109F212 Y214 N236 Y255 F256F212-R234 HydrophobicContact CB-CB 4.29Å; F212-R234 VanDerWaalsContact CD1-NH2 3.34Å; F212-R234 VanDerWaalsContact CE2-NH2 3.3Å; F212-R234 VanDerWaalsContact CG-NH2 3.26Å; F212-R234 PolarHBondContact N-O 3.48Å; F212-R234 PolarHBondContact O-N 3.42Å; Y214-R234 HydrophobicContact CE2-CB 3.98Å; R234-N236 WeakPolarHBondContact CD-OD1 3.37Å; R234-N236 WeakPolarHBondContact CG-OD1 3.34Å; R234-N236 PolarHBondContact NE-OD1 2.86Å; R234-Y255 CarbonylContact C-O 3.5Å; R234-Y255 WeakPolarHBondContact CA-O 3.21Å; R234-F256 HydrophobicContact CB-CD1 3.89Å; R234-F256 HydrophobicContact CB-CE1 3.73Å; R234-F256 HydrophobicContact CG-CD1 4.06Å; R234-F256 HydrophobicContact CG-CE1 3.54Å; R234-F256 HydrophobicContact CG-CZ 3.93Å
235W97.9Very high79.5Confident1 Ų168.8 Ų68.80%0.00436%0.358CS..EExtended strand (participates in β ladder)trans-116.9134.5167.2-59.6-93.8000109.8V209 S210 M233 Y255 L257 A325 T326 L329V209-W235 HydrophobicContact CG1-CB 4.12Å; V209-W235 HydrophobicContact CG1-CG 4.36Å; S210-W235 CarbonylContact O-C 3.55Å; S210-W235 VanDerWaalsContact O-CA 3.27Å; S210-W235 WeakPolarHBondContact O-CA 3.31Å; M233-W235 HydrophobicContact CB-CH2 4.13Å; M233-W235 HydrophobicContact CB-CZ2 4.21Å; M233-W235 HydrophobicContact CB-CZ3 4.39Å; M233-W235 HydrophobicContact CE-CZ2 3.86Å; M233-W235 HydrophobicContact SD-CZ2 4.23Å; W235-Y255 PolarHBondContact N-O 2.64Å; W235-Y255 PolarHBondContact O-N 2.9Å; W235-L257 HydrophobicContact CH2-CB 3.66Å; W235-L257 HydrophobicContact CZ3-CB 3.71Å; W235-L257 VanDerWaalsContact CZ3-N 3.29Å; W235-A325 HydrophobicContact CH2-CB 3.93Å; W235-A325 HydrophobicContact CZ2-CB 3.99Å; W235-T326 PolarHBondContact NE1-OG1 3.47Å; W235-T326 VanDerWaalsContact NE1-OG1 3.17Å; W235-L329 HydrophobicContact CB-CD2 3.45Å; W235-L329 VanDerWaalsContact CB-CD2 3.45Å; W235-L329 HydrophobicContact CD2-CD2 3.39Å; W235-L329 HydrophobicContact CE3-CD2 3.79Å; W235-L329 HydrophobicContact CG-CD2 3.22Å
236N97Very high79.1Confident18 Ų1869.2 Ų69.210%0.09636%0.362CS..EExtended strand (participates in β ladder)trans-105.1117.8172.5-59.43.2000107.2V209 S210 R234 V252 Y254V209-N236 WeakPolarHBondContact CA-O 3.18Å; S210-N236 PolarHBondContact N-O 2.89Å; S210-N236 PolarHBondContact O-N 3.27Å; R234-N236 WeakPolarHBondContact CD-OD1 3.37Å; R234-N236 WeakPolarHBondContact CG-OD1 3.34Å; R234-N236 PolarHBondContact NE-OD1 2.86Å; N236-V252 HydrophobicContact CB-CG1 4.01Å; N236-Y254 VanDerWaalsContact OD1-CD1 3.32Å; N236-Y254 WeakPolarHBondContact OD1-CD1 3.31Å
237L95.6Very high78.5Confident13 Ų1370.7 Ų70.77%0.06838%0.382CS..EExtended strand (participates in β ladder)trans-95.5103.3172.9178.567.5000108.5H207 D208 V209 V252 D253 Y255 L333H207-L237 HydrophobicContact CB-CD1 4.07Å; D208-L237 CarbonylContact O-C 3.44Å; D208-L237 WeakPolarHBondContact O-CA 3.35Å; V209-L237 HydrophobicContact CG2-CD1 3.63Å; L237-V252 WeakPolarHBondContact O-CA 3.12Å; L237-D253 HydrophobicContact CB-CB 4.35Å; L237-D253 PolarHBondContact N-O 3.43Å; L237-D253 PolarHBondContact O-N 2.52Å; L237-Y255 HydrophobicContact CB-CD2 4.29Å; L237-Y255 HydrophobicContact CB-CE2 3.87Å; L237-Y255 HydrophobicContact CD2-CE2 3.9Å; L237-L333 HydrophobicContact CD1-CD1 4.32Å; L237-L333 HydrophobicContact CD2-CD2 3.96Å
238E94.6Very high77.5Confident50 Ų5067.1 Ų67.123%0.23439%0.385CS..EExtended strand (participates in β ladder)trans-87.9122.1174.6-69.8169.4-145.600109R200 H207 D208 V252R200-E238 IonicContact CZ-OE1 3.97Å; R200-E238 IonicContact CZ-OE2 3.83Å; R200-E238 VanDerWaalsContact NH1-CD 3.26Å; R200-E238 IonicContact NH1-OE1 3.04Å; R200-E238 PolarHBondContact NH1-OE1 2.93Å; R200-E238 IonicContact NH1-OE2 3.96Å; R200-E238 PolarHBondContact NH1-OE2 3.1Å; R200-E238 IonicContact NH2-OE2 3.88Å; R200-E238 PolarHBondContact NH2-OE2 3.36Å; H207-E238 WeakPolarHBondContact CA-O 3.36Å; D208-E238 HydrophobicContact CB-CB 4.4Å; D208-E238 PolarHBondContact N-O 3.39Å; D208-E238 PolarHBondContact O-N 3.3Å; E238-V252 HydrophobicContact CG-CG1 4.48Å; E238-V252 HydrophobicContact CG-CG2 4.02Å
239T90.3Very high76.3Confident24 Ų2467.8 Ų67.815%0.14740%0.397CS..EExtended strand (participates in β ladder)trans-107.6114.2176.6-51.30000109.9S206 R251S206-T239 CarbonylContact O-C 3.49Å; S206-T239 VanDerWaalsContact O-CA 3.3Å; S206-T239 WeakPolarHBondContact O-CA 3.43Å; T239-R251 PolarHBondContact N-O 3.1Å; T239-R251 PolarHBondContact O-N 3.28Å
240T83.3Confident75.2Confident67 Ų6771.2 Ų71.241%0.41142%0.422SS..  trans-90.7110.1174.149.50000109.6S206 E242S206-T240 VanDerWaalsContact CA-OG1 3.29Å; S206-T240 WeakPolarHBondContact CA-OG1 3.36Å; S206-T240 VanDerWaalsContact CB-O 3.24Å; S206-T240 WeakPolarHBondContact CB-O 3.38Å; S206-T240 PolarHBondContact O-N 3.05Å; S206-T240 PolarHBondContact O-OG1 3.31Å; T240-E242 PolarHBondContact O-N 3.09Å
241T73.6Confident74.9Confident103 Ų10375.3 Ų75.363%0.63244%0.437SS*.  trans-90106.1176.8-52.30000109.5A243T241-A243 VanDerWaalsContact C-N 3.28Å; T241-A243 PolarHBondContact O-N 3.21Å
242E59.8Low74.8Confident192 Ų19277 Ų7790%0.89745%0.448SS*.  trans-78.673.3170.7-66.7-121.9160.800110.3T240T240-E242 PolarHBondContact O-N 3.09Å
243A48.5Very low74.7Confident79 Ų7977.6 Ų77.665%0.65345%0.452SS*.  trans170101.4156.800000112.3T241T241-A243 VanDerWaalsContact C-N 3.28Å; T241-A243 PolarHBondContact O-N 3.21Å
244S44.6Very low74.7Confident100 Ų10082 Ų8270%0.69947%0.469SS*.  175.1153.3122.954.90000108.2Q246S244-Q246 PolarHBondContact O-N 2.88Å
245S48.7Very low74.7Confident139 Ų13980.2 Ų80.297%0.97246%0.462SS*.SBendtrans-68.433.2-173.438.30000114.9
246Q49.4Very low74.6Confident167 Ų16780.9 Ų80.978%0.7847%0.465SS*.SBendtrans-14167.7-174.1-162.1158.2-9.700110.9S244S244-Q246 PolarHBondContact O-N 2.88Å
247G49.6Very low74.5Confident57 Ų5780 Ų8059%0.58846%0.461SS*.  trans68.3157.6171.400000115.6D249G247-D249 PolarHBondContact O-N 3.48Å
248P50.4Low74.5Confident128 Ų12879.4 Ų79.483%0.83146%0.458SS*.  trans-749117030.2-31000109.4S250P248-S250 PolarHBondContact O-N 3.23Å
249D56.8Low74.4Confident142 Ų14277.7 Ų77.776%0.75945%0.449SS*.  trans-74.177.1164.4-98-11.7000108.6G247 R251G247-D249 PolarHBondContact O-N 3.48Å; D249-R251 PolarHBondContact O-N 2.82Å
250S67.6Low74.5Confident79 Ų7981.5 Ų81.555%0.55246%0.461SS*.  trans-72.4108.9170.760.20000108.7P248P248-S250 PolarHBondContact O-N 3.23Å
251R85.4Confident74.8Confident147 Ų14779.9 Ų79.956%0.55545%0.449SS*.EExtended strand (participates in β ladder)trans-84.9131.2174.5-178.2178.41731585.6109.6T239 D249 D253T239-R251 PolarHBondContact N-O 3.1Å; T239-R251 PolarHBondContact O-N 3.28Å; D249-R251 PolarHBondContact O-N 2.82Å; R251-D253 IonicContact CZ-OD1 2.78Å; R251-D253 IonicContact NE-OD1 3.44Å; R251-D253 PolarHBondContact NE-OD1 3.34Å; R251-D253 IonicContact NE-OD2 3.85Å; R251-D253 IonicContact NH2-OD1 3.93Å; R251-D253 PolarHBondContact NH2-OD1 3.01Å
252V90.9Very high75.3Confident48 Ų4876.4 Ų76.429%0.29143%0.428SS..EExtended strand (participates in β ladder)trans-113.9118.7174-171.30000109.6N236 L237 E238 Y254N236-V252 HydrophobicContact CB-CG1 4.01Å; L237-V252 WeakPolarHBondContact O-CA 3.12Å; E238-V252 HydrophobicContact CG-CG1 4.48Å; E238-V252 HydrophobicContact CG-CG2 4.02Å; V252-Y254 HydrophobicContact CG1-CD1 4.4Å; V252-Y254 HydrophobicContact CG1-CE1 3.89Å; V252-Y254 HydrophobicContact CG1-CE2 4.38Å
253D93.1Very high75.9Confident22 Ų2275.2 Ų75.212%0.11842%0.416CS..EExtended strand (participates in β ladder)trans-100.6134.7170-73-49.1000109.6L237 R251 Y255 R285L237-D253 HydrophobicContact CB-CB 4.35Å; L237-D253 PolarHBondContact N-O 3.43Å; L237-D253 PolarHBondContact O-N 2.52Å; R251-D253 IonicContact CZ-OD1 2.78Å; R251-D253 IonicContact NE-OD1 3.44Å; R251-D253 PolarHBondContact NE-OD1 3.34Å; R251-D253 IonicContact NE-OD2 3.85Å; R251-D253 IonicContact NH2-OD1 3.93Å; R251-D253 PolarHBondContact NH2-OD1 3.01Å; D253-Y255 HydrophobicContact CB-CE2 3.85Å; D253-R285 IonicContact OD1-CZ 2.59Å; D253-R285 IonicContact OD1-NE 3.19Å; D253-R285 IonicContact OD1-NH2 3.74Å; D253-R285 PolarHBondContact OD1-NH2 3.49Å; D253-R285 IonicContact OD2-NH2 2.77Å; D253-R285 PolarHBondContact OD2-NH2 3.32Å
254Y94.6Very high76.5Confident91 Ų9175.6 Ų75.636%0.35740%0.404SS..EExtended strand (participates in β ladder)trans-102.5132.8-179.3-57.2-81.6000111.6N236 V252 W286N236-Y254 VanDerWaalsContact OD1-CD1 3.32Å; N236-Y254 WeakPolarHBondContact OD1-CD1 3.31Å; V252-Y254 HydrophobicContact CG1-CD1 4.4Å; V252-Y254 HydrophobicContact CG1-CE1 3.89Å; V252-Y254 HydrophobicContact CG1-CE2 4.38Å; Y254-W286 PolarHBondContact O-N 3.12Å
255Y96.3Very high76.9Confident17 Ų1778.2 Ų78.27%0.06741%0.41CS..EExtended strand (participates in β ladder)trans-121.9149.3174.8-61.3-99.2000109.6R234 W235 L237 D253 G284 R285 L312 L329 L333R234-Y255 CarbonylContact C-O 3.5Å; R234-Y255 WeakPolarHBondContact CA-O 3.21Å; W235-Y255 PolarHBondContact N-O 2.64Å; W235-Y255 PolarHBondContact O-N 2.9Å; L237-Y255 HydrophobicContact CB-CD2 4.29Å; L237-Y255 HydrophobicContact CB-CE2 3.87Å; L237-Y255 HydrophobicContact CD2-CE2 3.9Å; D253-Y255 HydrophobicContact CB-CE2 3.85Å; Y255-G284 CarbonylContact C-O 3.56Å; Y255-G284 WeakPolarHBondContact CA-O 3.36Å; Y255-R285 HydrophobicContact CD1-CB 3.92Å; Y255-R285 HydrophobicContact CD1-CG 4.36Å; Y255-R285 HydrophobicContact CE1-CB 3.84Å; Y255-R285 HydrophobicContact CE1-CG 4.02Å; Y255-L312 HydrophobicContact CD1-CD1 3.87Å; Y255-L312 HydrophobicContact CE1-CD1 3.72Å; Y255-L329 HydrophobicContact CD1-CD1 3.76Å; Y255-L329 HydrophobicContact CE1-CD1 4.42Å; Y255-L329 HydrophobicContact CG-CD1 3.86Å; Y255-L333 HydrophobicContact CE1-CD2 4.07Å; Y255-L333 HydrophobicContact CE2-CD2 4.08Å
256F95.8Very high77.1Confident15 Ų1575.6 Ų75.67%0.06639%0.389CS..EExtended strand (participates in β ladder)trans-136.9137.1-175.4-63.3-90000111.5Y220 K231 M233 R234 I283 G284 W286 Y309Y220-F256 AromaticContact CE2-CD2 3.99Å; Y220-F256 HydrophobicContact CE2-CD2 3.99Å; Y220-F256 HydrophobicContact CE2-CE2 4.39Å; Y220-F256 HydrophobicContact CE2-CG 4.22Å; K231-F256 HydrophobicContact CD-CD1 3.72Å; K231-F256 HydrophobicContact CD-CE1 3.75Å; K231-F256 HydrophobicContact CG-CD1 3.96Å; K231-F256 HydrophobicContact CG-CE1 4.49Å; M233-F256 VanDerWaalsContact O-CA 3.31Å; M233-F256 WeakPolarHBondContact O-CA 3.34Å; R234-F256 HydrophobicContact CB-CD1 3.89Å; R234-F256 HydrophobicContact CB-CE1 3.73Å; R234-F256 HydrophobicContact CG-CD1 4.06Å; R234-F256 HydrophobicContact CG-CE1 3.54Å; R234-F256 HydrophobicContact CG-CZ 3.93Å; F256-I283 WeakPolarHBondContact O-CA 3.37Å; F256-G284 PolarHBondContact N-O 3.3Å; F256-G284 PolarHBondContact O-N 2.9Å; F256-W286 HydrophobicContact CD2-CB 4.37Å; F256-W286 HydrophobicContact CE2-CB 3.84Å; F256-Y309 HydrophobicContact CB-CE2 4.38Å
257L96.7Very high77.3Confident0 Ų071.3 Ų71.30%039%0.389CS..EExtended strand (participates in β ladder)trans-85.7118.9159.7178.867.7000106.5K232 M233 W235 W281 I283 I315 P320 A325K232-L257 HydrophobicContact CB-CD2 4.17Å; K232-L257 HydrophobicContact CB-CG 4.37Å; K232-L257 HydrophobicContact CG-CD2 4.25Å; K232-L257 PolarHBondContact N-O 3.37Å; M233-L257 HydrophobicContact CB-CB 3.9Å; M233-L257 HydrophobicContact CB-CD2 4.43Å; M233-L257 HydrophobicContact CG-CD2 4.17Å; M233-L257 PolarHBondContact N-O 2.96Å; M233-L257 PolarHBondContact O-N 3.37Å; M233-L257 HydrophobicContact SD-CD2 4.1Å; W235-L257 HydrophobicContact CH2-CB 3.66Å; W235-L257 HydrophobicContact CZ3-CB 3.71Å; W235-L257 VanDerWaalsContact CZ3-N 3.29Å; L257-W281 HydrophobicContact CD1-CE3 4.15Å; L257-W281 HydrophobicContact CD2-CE3 4.23Å; L257-W281 HydrophobicContact CD2-CZ3 4.13Å; L257-W281 HydrophobicContact CG-CE3 4.03Å; L257-W281 HydrophobicContact CG-CZ3 4.2Å; L257-I283 HydrophobicContact CD1-CG1 4.06Å; L257-I315 HydrophobicContact CD1-CD1 3.75Å; L257-P320 HydrophobicContact CD1-CG 3.83Å; L257-P320 HydrophobicContact CD2-CG 3.88Å; L257-P320 HydrophobicContact CG-CG 4.49Å; L257-A325 HydrophobicContact CD1-CB 4.47Å; L257-A325 HydrophobicContact CD2-CB 3.99Å
258C94.9Very high77.3Confident0 Ų077.6 Ų77.60%040%0.403CS..EExtended strand (participates in β ladder)trans-124.6152.9178.6-62.60000110.5L229 Y230 W281 S282 Y309L229-C258 HydrophobicContact CD1-CB 3.51Å; L229-C258 HydrophobicContact CD2-CB 4.17Å; L229-C258 HydrophobicContact CG-CB 3.76Å; Y230-C258 CarbonylContact O-C 3.48Å; Y230-C258 WeakPolarHBondContact O-CA 3.29Å; Y230-C258 WeakPolarHBondContact O-CB 3.11Å; C258-W281 WeakPolarHBondContact O-CA 3.48Å; C258-S282 PolarHBondContact N-O 3.4Å; C258-S282 PolarHBondContact O-N 2.96Å; C258-S282 VanDerWaalsContact O-O 3.1Å; C258-Y309 HydrophobicContact CB-CE2 4.3Å
259Y93.4Very high77.5Confident15 Ų1573 Ų736%0.05938%0.379CS..EExtended strand (participates in β ladder)trans-116.2150.6159.572.3-95.9000110.4P217 Y230 D261 K279 L280 W281P217-Y259 HydrophobicContact CB-CE1 3.61Å; P217-Y259 WeakPolarHBondContact CB-OH 3.35Å; P217-Y259 HydrophobicContact CG-CE1 3.74Å; P217-Y259 VanDerWaalsContact CG-OH 3.27Å; P217-Y259 WeakPolarHBondContact CG-OH 3.41Å; Y230-Y259 HydrophobicContact CD2-CD2 4.14Å; Y230-Y259 AromaticContact CD2-CE2 3.45Å; Y230-Y259 HydrophobicContact CD2-CE2 3.45Å; Y230-Y259 VanDerWaalsContact CD2-CE2 3.45Å; Y230-Y259 AromaticContact CD2-CZ 3.77Å; Y230-Y259 HydrophobicContact CE2-CE2 4.24Å; Y230-Y259 HydrophobicContact CG-CE1 4.43Å; Y230-Y259 AromaticContact CG-CE2 3.98Å; Y230-Y259 HydrophobicContact CG-CE2 3.98Å; Y230-Y259 AromaticContact CG-CZ 3.79Å; Y230-Y259 PolarHBondContact N-O 3.46Å; Y230-Y259 PolarHBondContact O-N 3.3Å; Y259-D261 WeakPolarHBondContact CE2-OD1 3.47Å; Y259-K279 HydrophobicContact CD1-CD 4.45Å; Y259-K279 HydrophobicContact CD2-CB 4Å; Y259-K279 HydrophobicContact CD2-CD 3.78Å; Y259-K279 HydrophobicContact CD2-CG 3.72Å; Y259-K279 HydrophobicContact CE1-CD 4.44Å; Y259-K279 HydrophobicContact CE2-CD 3.82Å; Y259-K279 HydrophobicContact CE2-CG 4.03Å; Y259-K279 HydrophobicContact CG-CB 4.25Å; Y259-K279 HydrophobicContact CG-CD 4.12Å; Y259-K279 HydrophobicContact CG-CG 4.32Å; Y259-L280 CarbonylContact C-O 3.55Å; Y259-L280 VanDerWaalsContact CA-O 3.25Å; Y259-L280 WeakPolarHBondContact CA-O 3.47Å; Y259-W281 HydrophobicContact CD1-CE3 4.42Å; Y259-W281 AromaticContact CD1-CH2 3.55Å; Y259-W281 HydrophobicContact CD1-CH2 3.55Å; Y259-W281 AromaticContact CD1-CZ2 3.94Å; Y259-W281 HydrophobicContact CD1-CZ2 3.94Å; Y259-W281 AromaticContact CD1-CZ3 3.81Å; Y259-W281 HydrophobicContact CD1-CZ3 3.81Å; Y259-W281 HydrophobicContact CE1-CH2 4.33Å; Y259-W281 HydrophobicContact CG-CH2 4.26Å; Y259-W281 HydrophobicContact CG-CZ2 4.28Å; Y259-W281 HydrophobicContact CG-CZ3 4.41Å
260R91.6Very high77.4Confident104 Ų10471.4 Ų71.439%0.39238%0.376SS..EExtended strand (participates in β ladder)trans-114.7135.1170.1176.4178.1166.3-175.6-3.5109.2Y228 L229 T262 L280Y228-R260 WeakPolarHBondContact O-CA 3.3Å; L229-R260 HydrophobicContact CD1-CB 4.13Å; R260-T262 PolarHBondContact O-N 3.33Å; R260-L280 PolarHBondContact N-O 2.65Å; R260-L280 PolarHBondContact O-N 3.32Å
261D89.3Confident76.9Confident32 Ų3272.8 Ų72.817%0.17139%0.392CS..EExtended strand (participates in β ladder)trans-72124.4170.1-69.4-26.8000109.6Y228 Y230 Y259 I277Y228-D261 PolarHBondContact O-N 2.9Å; Y230-D261 WeakPolarHBondContact CE2-OD2 3.33Å; Y259-D261 WeakPolarHBondContact CE2-OD1 3.47Å; D261-I277 HydrophobicContact CB-CG2 3.71Å
262T83.8Confident75.4Confident31 Ų3173.4 Ų73.419%0.1941%0.406CS..EExtended strand (participates in β ladder)trans-118141176.858.80000108.9R260 Q278 L280R260-T262 PolarHBondContact O-N 3.33Å; T262-Q278 PolarHBondContact N-O 3.05Å; T262-Q278 PolarHBondContact O-N 3.39Å; T262-Q278 PolarHBondContact OG1-O 2.99Å; T262-L280 HydrophobicContact CG2-CB 3.95Å
263W72.9Confident73.8Confident167 Ų16774.5 Ų74.563%0.63342%0.417SS*.EExtended strand (participates in β ladder)trans-99.8124.4173.744.185.4000108.4D265W263-D265 PolarHBondContact O-N 3.44Å
264E61.6Low71.9Confident87 Ų8779 Ų7941%0.40745%0.448SS..  trans-77.7111.3159.3-78-172.7162.500107.7T266 Q278E264-T266 PolarHBondContact O-N 3.4Å; E264-Q278 PolarHBondContact OE1-NE2 3.34Å; E264-Q278 PolarHBondContact OE2-NE2 2.88Å
265D53.1Low70.2Confident155 Ų15578.8 Ų78.883%0.82946%0.458SS*.  trans-78.677.2164.5-150.710000106.4W263 G267W263-D265 PolarHBondContact O-N 3.44Å; D265-G267 PolarHBondContact O-N 3.48Å
266T52.3Low69Low84 Ų8484.4 Ų84.452%0.51549%0.485SS..  trans-70.380.5175.7-25.50000107.3E264 Q268 G269E264-T266 PolarHBondContact O-N 3.4Å; T266-Q268 PolarHBondContact O-N 2.99Å; T266-G269 PolarHBondContact O-N 3.22Å
267G52.4Low68.2Low76 Ų7689.2 Ų89.278%0.78451%0.51SS*.THydrogen-bonded Turntrans-62.216.6178.100000115.1D265D265-G267 PolarHBondContact O-N 3.48Å
268Q50Low67.7Low190 Ų19090.9 Ų90.989%0.88852%0.518SS*.THydrogen-bonded Turntrans-139.119.7177.2-73.5-169.9-19.900113T266T266-Q268 PolarHBondContact O-N 2.99Å
269G54.7Low67.6Low31 Ų3195 Ų9532%0.3254%0.535SS..SBendtrans-79.4142.5167.100000111.2T266T266-G269 PolarHBondContact O-N 3.22Å
270P55.3Low67.6Low108 Ų10896.5 Ų96.570%0.70154%0.544SS*.  trans-53.9147.1166.825.2-32000108.6N272 S273P270-N272 PolarHBondContact O-N 3.46Å; P270-S273 PolarHBondContact O-N 2.99Å; P270-S273 VanDerWaalsContact O-N 3.17Å
271A56.6Low67.8Low108 Ų10891.8 Ų91.889%0.89353%0.527SS*.THydrogen-bonded Turntrans-55.210.1-167.700000117.8
272N53.8Low68.1Low160 Ų16090.5 Ų90.586%0.85652%0.52SS*.THydrogen-bonded Turntrans-126.15.2-175.6-61-13.9000114.3P270 C274P270-N272 PolarHBondContact O-N 3.46Å; N272-C274 PolarHBondContact O-N 3.43Å
273S56.7Low68.7Low72 Ų7289 Ų8950%0.50351%0.511SS..  trans-84.1113.9174.556.50000110.8P270P270-S273 PolarHBondContact O-N 2.99Å; P270-S273 VanDerWaalsContact O-N 3.17Å
274C55Low69.7Low115 Ų11581.1 Ų81.178%0.77748%0.481SS*.  trans-57.9135169.4-164.10000109.1N272 Q276N272-C274 PolarHBondContact O-N 3.43Å; C274-Q276 PolarHBondContact O-N 2.99Å; C274-Q276 VanDerWaalsContact O-N 3.15Å
275P58.9Low71.2Confident87 Ų8779.6 Ų79.657%0.56547%0.472SS*.  trans-56.9122.117921.6-32.2000110.1I277P275-I277 PolarHBondContact O-N 3.3Å
276Q70.4Confident73Confident136 Ų13674.3 Ų74.364%0.63644%0.44SS*.  trans-76.2113.6178.1-174.5169.5-18.300108.6C274 Q278C274-Q276 PolarHBondContact O-N 2.99Å; C274-Q276 VanDerWaalsContact O-N 3.15Å; Q276-Q278 PolarHBondContact O-N 3.1Å
277I79Confident74.7Confident115 Ų11572.5 Ų72.559%0.5943%0.427SS*.EExtended strand (participates in β ladder)trans-71.1117.7174.3-59.9172.7000107.8D261 P275D261-I277 HydrophobicContact CB-CG2 3.71Å; P275-I277 PolarHBondContact O-N 3.3Å
278Q86.7Confident76.1Confident36 Ų3673.3 Ų73.317%0.16842%0.419CS..EExtended strand (participates in β ladder)trans-102.8138.1173.4-65.3-16910.700110.4T262 E264 Q276 F317T262-Q278 PolarHBondContact N-O 3.05Å; T262-Q278 PolarHBondContact O-N 3.39Å; T262-Q278 PolarHBondContact OG1-O 2.99Å; E264-Q278 PolarHBondContact OE1-NE2 3.34Å; E264-Q278 PolarHBondContact OE2-NE2 2.88Å; Q276-Q278 PolarHBondContact O-N 3.1Å; Q278-F317 HydrophobicContact CB-CD1 3.91Å; Q278-F317 HydrophobicContact CB-CE1 4.12Å
279K92.6Very high77.3Confident85 Ų8568.6 Ų68.637%0.3740%0.399SS..EExtended strand (participates in β ladder)trans-94.5111.5179.2-66.6-176.3179.6-176.20109.5Y259 W281 F317Y259-K279 HydrophobicContact CD1-CD 4.45Å; Y259-K279 HydrophobicContact CD2-CB 4Å; Y259-K279 HydrophobicContact CD2-CD 3.78Å; Y259-K279 HydrophobicContact CD2-CG 3.72Å; Y259-K279 HydrophobicContact CE1-CD 4.44Å; Y259-K279 HydrophobicContact CE2-CD 3.82Å; Y259-K279 HydrophobicContact CE2-CG 4.03Å; Y259-K279 HydrophobicContact CG-CB 4.25Å; Y259-K279 HydrophobicContact CG-CD 4.12Å; Y259-K279 HydrophobicContact CG-CG 4.32Å; K279-W281 HydrophobicContact CD-CZ2 4.47Å; K279-F317 VanDerWaalsContact O-CA 3.29Å; K279-F317 WeakPolarHBondContact O-CA 3.46Å
280L93.2Very high77.9Confident47 Ų4768.2 Ų68.225%0.24640%0.395CS..EExtended strand (participates in β ladder)trans-90.3115.6173.5-177.165.5000109.7Y259 R260 T262 T314 F317Y259-L280 CarbonylContact C-O 3.55Å; Y259-L280 VanDerWaalsContact CA-O 3.25Å; Y259-L280 WeakPolarHBondContact CA-O 3.47Å; R260-L280 PolarHBondContact N-O 2.65Å; R260-L280 PolarHBondContact O-N 3.32Å; T262-L280 HydrophobicContact CG2-CB 3.95Å; L280-T314 HydrophobicContact CD1-CG2 3.81Å; L280-T314 HydrophobicContact CD2-CG2 4.33Å; L280-T314 HydrophobicContact CG-CG2 4.19Å; L280-F317 HydrophobicContact CB-CD1 4.43Å; L280-F317 HydrophobicContact CB-CE1 4.2Å; L280-F317 HydrophobicContact CD1-CD1 4.25Å; L280-F317 HydrophobicContact CD1-CE1 3.98Å; L280-F317 HydrophobicContact CD1-CZ 4.15Å
281W95.8Very high78.4Confident6 Ų664.2 Ų64.22%0.02337%0.369CS..EExtended strand (participates in β ladder)trans-89139.5-177.3-65.289.4000112.3K232 L257 C258 Y259 K279 I315 G316 E318 E319K232-W281 HydrophobicContact CB-CH2 4.17Å; K232-W281 HydrophobicContact CB-CZ3 3.65Å; K232-W281 HydrophobicContact CG-CH2 4.01Å; K232-W281 HydrophobicContact CG-CZ3 3.82Å; L257-W281 HydrophobicContact CD1-CE3 4.15Å; L257-W281 HydrophobicContact CD2-CE3 4.23Å; L257-W281 HydrophobicContact CD2-CZ3 4.13Å; L257-W281 HydrophobicContact CG-CE3 4.03Å; L257-W281 HydrophobicContact CG-CZ3 4.2Å; C258-W281 WeakPolarHBondContact O-CA 3.48Å; Y259-W281 HydrophobicContact CD1-CE3 4.42Å; Y259-W281 AromaticContact CD1-CH2 3.55Å; Y259-W281 HydrophobicContact CD1-CH2 3.55Å; Y259-W281 AromaticContact CD1-CZ2 3.94Å; Y259-W281 HydrophobicContact CD1-CZ2 3.94Å; Y259-W281 AromaticContact CD1-CZ3 3.81Å; Y259-W281 HydrophobicContact CD1-CZ3 3.81Å; Y259-W281 HydrophobicContact CE1-CH2 4.33Å; Y259-W281 HydrophobicContact CG-CH2 4.26Å; Y259-W281 HydrophobicContact CG-CZ2 4.28Å; Y259-W281 HydrophobicContact CG-CZ3 4.41Å; K279-W281 HydrophobicContact CD-CZ2 4.47Å; W281-I315 HydrophobicContact CB-CB 4.17Å; W281-I315 PolarHBondContact O-N 3.17Å; W281-G316 WeakPolarHBondContact CB-O 3.49Å; W281-G316 PolarHBondContact N-O 2.62Å; W281-E318 VanDerWaalsContact CD1-O 3.23Å; W281-E319 HydrophobicContact CH2-CB 4.12Å; W281-E319 HydrophobicContact CH2-CG 3.58Å; W281-E319 HydrophobicContact CZ2-CB 3.48Å; W281-E319 VanDerWaalsContact CZ2-CB 3.48Å; W281-E319 HydrophobicContact CZ2-CG 3.51Å; W281-E319 HydrophobicContact CZ3-CG 4.21Å
282S95.3Very high78.8Confident5 Ų564.1 Ų64.14%0.03537%0.369CS..EExtended strand (participates in β ladder)trans-151.5153.4-179.357.20000112.5C258 Y309 L313C258-S282 PolarHBondContact N-O 3.4Å; C258-S282 PolarHBondContact O-N 2.96Å; C258-S282 VanDerWaalsContact O-O 3.1Å; S282-Y309 PolarHBondContact O-OH 3.45Å; S282-Y309 PolarHBondContact OG-OH 2.83Å; S282-L313 CarbonylContact C-O 3.58Å; S282-L313 WeakPolarHBondContact CA-O 3.43Å; S282-L313 VanDerWaalsContact CB-O 3.24Å; S282-L313 WeakPolarHBondContact CB-O 3.22Å
283I97Very high79.4Confident0 Ų062.7 Ų62.70%036%0.357CS..EExtended strand (participates in β ladder)trans-105.8135.3169.5-63.5172.3000107.8F256 L257 Y309 L312 L313 I315 L328 L329 I332F256-I283 WeakPolarHBondContact O-CA 3.37Å; L257-I283 HydrophobicContact CD1-CG1 4.06Å; I283-Y309 VanDerWaalsContact C-OH 3.23Å; I283-L312 PolarHBondContact O-N 2.78Å; I283-L313 HydrophobicContact CB-CB 4.45Å; I283-L313 PolarHBondContact N-O 3.27Å; I283-L313 PolarHBondContact O-N 2.79Å; I283-I315 HydrophobicContact CD1-CD1 4.17Å; I283-I315 HydrophobicContact CG1-CD1 4.03Å; I283-L328 HydrophobicContact CD1-CB 3.84Å; I283-L329 HydrophobicContact CG2-CD1 4.14Å; I283-I332 HydrophobicContact CB-CD1 4.46Å; I283-I332 HydrophobicContact CG2-CD1 4.22Å
284G93.9Very high80.1Confident0 Ų065.5 Ų65.50%037%0.366CS..EExtended strand (participates in β ladder)trans-148.1164.2178.200000112.7Y255 F256 Y309 Q310Y255-G284 CarbonylContact C-O 3.56Å; Y255-G284 WeakPolarHBondContact CA-O 3.36Å; F256-G284 PolarHBondContact N-O 3.3Å; F256-G284 PolarHBondContact O-N 2.9Å; G284-Y309 VanDerWaalsContact CA-CE2 3.47Å; G284-Y309 VanDerWaalsContact CA-CZ 3.49Å; G284-Y309 WeakPolarHBondContact CA-OH 3.31Å; G284-Y309 PolarHBondContact N-OH 2.98Å; G284-Q310 CarbonylContact C-O 3.5Å; G284-Q310 WeakPolarHBondContact CA-O 3.31Å
285R93.4Very high81.3Confident55 Ų5564.9 Ų64.921%0.20836%0.355CS..EExtended strand (participates in β ladder)trans-102.3141.3178.2177.4-178.5179.5177.19.6109.7D253 Y255 L287 Q310 L312D253-R285 IonicContact OD1-CZ 2.59Å; D253-R285 IonicContact OD1-NE 3.19Å; D253-R285 IonicContact OD1-NH2 3.74Å; D253-R285 PolarHBondContact OD1-NH2 3.49Å; D253-R285 IonicContact OD2-NH2 2.77Å; D253-R285 PolarHBondContact OD2-NH2 3.32Å; Y255-R285 HydrophobicContact CD1-CB 3.92Å; Y255-R285 HydrophobicContact CD1-CG 4.36Å; Y255-R285 HydrophobicContact CE1-CB 3.84Å; Y255-R285 HydrophobicContact CE1-CG 4.02Å; R285-L287 HydrophobicContact CG-CD2 4.49Å; R285-Q310 HydrophobicContact CB-CB 4.47Å; R285-Q310 PolarHBondContact N-O 3.1Å; R285-Q310 PolarHBondContact O-N 3.42Å; R285-L312 HydrophobicContact CB-CD1 4.04Å; R285-L312 HydrophobicContact CB-CG 4.43Å
286W90.8Very high82.2Confident44 Ų4466.8 Ų66.817%0.16736%0.36CS..EExtended strand (participates in β ladder)trans-75.3123.1165.8173.9-91.8000110.4Y220 A222 Y254 F256 P305 G307Y220-W286 HydrophobicContact CE1-CE3 4.09Å; Y220-W286 AromaticContact CE1-CZ3 3.91Å; Y220-W286 HydrophobicContact CE1-CZ3 3.91Å; Y220-W286 HydrophobicContact CE2-CE3 4.2Å; Y220-W286 AromaticContact CZ-CE3 3.52Å; Y220-W286 AromaticContact CZ-CZ3 3.82Å; A222-W286 HydrophobicContact CB-CH2 4.22Å; A222-W286 HydrophobicContact CB-CZ3 3.88Å; Y254-W286 PolarHBondContact O-N 3.12Å; F256-W286 HydrophobicContact CD2-CB 4.37Å; F256-W286 HydrophobicContact CE2-CB 3.84Å; W286-P305 HydrophobicContact CH2-CB 3.96Å; W286-P305 HydrophobicContact CH2-CG 3.87Å; W286-P305 HydrophobicContact CZ2-CB 3.97Å; W286-P305 HydrophobicContact CZ2-CG 4.34Å; W286-G307 VanDerWaalsContact CZ2-CA 3.46Å
287L87.1Confident82.7Confident47 Ų4765.5 Ų65.525%0.24636%0.357CS..EExtended strand (participates in β ladder)trans-103.7112.1171.6-67.2-178.2000109.1R285 L289 G307 D308 Q310R285-L287 HydrophobicContact CG-CD2 4.49Å; L287-L289 PolarHBondContact O-N 2.88Å; L287-G307 CarbonylContact O-C 3.59Å; L287-G307 WeakPolarHBondContact O-CA 3.15Å; L287-D308 HydrophobicContact CB-CB 4.49Å; L287-D308 PolarHBondContact N-O 2.96Å; L287-D308 PolarHBondContact O-N 3.39Å; L287-Q310 HydrophobicContact CD1-CB 3.64Å; L287-Q310 HydrophobicContact CD1-CG 4.25Å; L287-Q310 HydrophobicContact CG-CB 3.84Å
288P81.7Confident82.5Confident93 Ų9362 Ų6260%0.60434%0.343SS*.EExtended strand (participates in β ladder)trans-69.4117.4169.728.9-30.6000108.1
289L75.9Confident81.8Confident90 Ų9066 Ų6647%0.47136%0.357SS..  trans-91.3-21177.1-67.2179.4000111.7H224 L287 P306 D308H224-L289 HydrophobicContact CB-CD1 4.29Å; L287-L289 PolarHBondContact O-N 2.88Å; L289-P306 PolarHBondContact N-O 3.29Å; L289-D308 HydrophobicContact CD1-CB 3.73Å; L289-D308 HydrophobicContact CG-CB 4.19Å
290G66.8Low81.1Confident23 Ų2367.4 Ų67.424%0.23737%0.367CS..  trans70.1157.1-174.400000111.8P306G290-P306 PolarHBondContact N-O 3.29Å; G290-P306 WeakPolarHBondContact O-CB 3.22Å
291P65.5Low80.4Confident24 Ų2471.7 Ų71.716%0.15639%0.39CS..  trans-62.5155.1169.928.9-32.5000109.8E293 W299P291-E293 WeakPolarHBondContact CB-O 3.3Å; P291-E293 VanDerWaalsContact CG-O 3.23Å; P291-E293 WeakPolarHBondContact CG-O 3.49Å; P291-E293 PolarHBondContact O-N 3.09Å; P291-W299 VanDerWaalsContact CD-CH2 3.48Å; P291-W299 HydrophobicContact CG-CD2 3.77Å; P291-W299 VanDerWaalsContact CG-CE2 3.45Å; P291-W299 HydrophobicContact CG-CE3 4.44Å; P291-W299 HydrophobicContact CG-CG 4.01Å; P291-W299 HydrophobicContact CG-CZ2 3.94Å
292A65Low79.1Confident107 Ų10773.5 Ų73.588%0.88440%0.402SS*.SBendtrans-59.6-30.9177.600000112.6
293E66Low78Confident130 Ų13079.3 Ų79.361%0.60744%0.44SS*.SBendtrans-117.7125.7173.6-61.1-65.116300108.5P291 D295 S298P291-E293 WeakPolarHBondContact CB-O 3.3Å; P291-E293 VanDerWaalsContact CG-O 3.23Å; P291-E293 WeakPolarHBondContact CG-O 3.49Å; P291-E293 PolarHBondContact O-N 3.09Å; E293-D295 PolarHBondContact O-N 2.96Å; E293-S298 VanDerWaalsContact O-CB 3.22Å; E293-S298 WeakPolarHBondContact O-CB 3.32Å; E293-S298 PolarHBondContact O-OG 3.04Å
294D71.6Confident76.8Confident131 Ų13183.4 Ų83.470%0.70146%0.459SS*.  trans-82.944.5-176-163.826.6000113W299D294-W299 PolarHBondContact OD1-NE1 2.93Å
295D80.6Confident75.8Confident101 Ų10186.4 Ų86.454%0.5448%0.479SS..  trans-98.5144.8176-72.4-22.1000110.4E293 D297 S298 W299E293-D295 PolarHBondContact O-N 2.96Å; D295-D297 PolarHBondContact O-N 3.47Å; D295-D297 VanDerWaalsContact O-N 3.14Å; D295-S298 VanDerWaalsContact O-CB 3.31Å; D295-S298 WeakPolarHBondContact O-CB 3.4Å; D295-S298 PolarHBondContact O-N 3.42Å; D295-W299 PolarHBondContact O-N 3.33Å
296L78.9Confident74.9Confident128 Ų12884.5 Ų84.567%0.6747%0.473SS*.Hα-helixtrans-53.4-37.9-179.3-178.467000112.4S298 W299 I300L296-S298 VanDerWaalsContact C-N 3.33Å; L296-S298 PolarHBondContact O-N 3.29Å; L296-W299 WeakPolarHBondContact O-CB 3.13Å; L296-W299 PolarHBondContact O-N 3.07Å; L296-I300 HydrophobicContact CD1-CD1 4.14Å; L296-I300 HydrophobicContact CD1-CG1 4.4Å; L296-I300 HydrophobicContact CD2-CD1 4.17Å; L296-I300 HydrophobicContact CG-CD1 3.72Å; L296-I300 HydrophobicContact CG-CG1 4.34Å; L296-I300 WeakPolarHBondContact O-CG1 3.44Å; L296-I300 PolarHBondContact O-N 2.89Å
297D79.1Confident74.2Confident108 Ų10882.4 Ų82.458%0.57847%0.465SS*.Hα-helixtrans-65.2-36.8178.8-65.2-39.7000112D295 W299 I300 L301D295-D297 PolarHBondContact O-N 3.47Å; D295-D297 VanDerWaalsContact O-N 3.14Å; D297-W299 VanDerWaalsContact C-N 3.28Å; D297-W299 PolarHBondContact O-N 3.03Å; D297-I300 PolarHBondContact O-N 3.45Å; D297-L301 VanDerWaalsContact O-CB 3.23Å; D297-L301 WeakPolarHBondContact O-CB 3.34Å; D297-L301 WeakPolarHBondContact O-CG 3.46Å; D297-L301 PolarHBondContact O-N 2.92Å
298S74.8Confident74.2Confident42 Ų4282.6 Ų82.629%0.29447%0.467SS..Hα-helixtrans-64.9-33.8175.5-59.50000111.9E293 D295 L296 C302E293-S298 VanDerWaalsContact O-CB 3.22Å; E293-S298 WeakPolarHBondContact O-CB 3.32Å; E293-S298 PolarHBondContact O-OG 3.04Å; D295-S298 VanDerWaalsContact O-CB 3.31Å; D295-S298 WeakPolarHBondContact O-CB 3.4Å; D295-S298 PolarHBondContact O-N 3.42Å; L296-S298 VanDerWaalsContact C-N 3.33Å; L296-S298 PolarHBondContact O-N 3.29Å; S298-C302 WeakPolarHBondContact O-CB 3.25Å; S298-C302 PolarHBondContact O-N 3.07Å
299W72.7Confident74.5Confident120 Ų12079 Ų7946%0.45544%0.441SS..Hα-helixtrans-74.4-42.1174.9-74102.6000112.5P291 D294 D295 L296 D297 P306P291-W299 VanDerWaalsContact CD-CH2 3.48Å; P291-W299 HydrophobicContact CG-CD2 3.77Å; P291-W299 VanDerWaalsContact CG-CE2 3.45Å; P291-W299 HydrophobicContact CG-CE3 4.44Å; P291-W299 HydrophobicContact CG-CG 4.01Å; P291-W299 HydrophobicContact CG-CZ2 3.94Å; D294-W299 PolarHBondContact OD1-NE1 2.93Å; D295-W299 PolarHBondContact O-N 3.33Å; L296-W299 WeakPolarHBondContact O-CB 3.13Å; L296-W299 PolarHBondContact O-N 3.07Å; D297-W299 VanDerWaalsContact C-N 3.28Å; D297-W299 PolarHBondContact O-N 3.03Å; W299-P306 HydrophobicContact CZ3-CG 4.04Å
300I78.1Confident75.2Confident114 Ų11478.7 Ų78.759%0.58544%0.438SS*.Hα-helixtrans-70.4-39.9-179.3-67.7170000111.7L296 D297 C302L296-I300 HydrophobicContact CD1-CD1 4.14Å; L296-I300 HydrophobicContact CD1-CG1 4.4Å; L296-I300 HydrophobicContact CD2-CD1 4.17Å; L296-I300 HydrophobicContact CG-CD1 3.72Å; L296-I300 HydrophobicContact CG-CG1 4.34Å; L296-I300 WeakPolarHBondContact O-CG1 3.44Å; L296-I300 PolarHBondContact O-N 2.89Å; D297-I300 PolarHBondContact O-N 3.45Å; I300-C302 VanDerWaalsContact C-N 3.27Å; I300-C302 PolarHBondContact O-N 3.39Å
301L77.8Confident76.4Confident138 Ų13882.5 Ų82.572%0.72345%0.449SS*.THydrogen-bonded Turntrans-84.9-1.4-176.1-62.1174.2000113D297 P303D297-L301 VanDerWaalsContact O-CB 3.23Å; D297-L301 WeakPolarHBondContact O-CB 3.34Å; D297-L301 WeakPolarHBondContact O-CG 3.46Å; D297-L301 PolarHBondContact O-N 2.92Å; L301-P303 VanDerWaalsContact O-CD 3.23Å; L301-P303 WeakPolarHBondContact O-CD 3.32Å
302C69.2Low77.8Confident43 Ų4384.1 Ų84.129%0.29146%0.456SS..  trans-68.9113.8-179.4-145.50000110S298 I300 Q304S298-C302 WeakPolarHBondContact O-CB 3.25Å; S298-C302 PolarHBondContact O-N 3.07Å; I300-C302 VanDerWaalsContact C-N 3.27Å; I300-C302 PolarHBondContact O-N 3.39Å; C302-Q304 PolarHBondContact O-N 2.93Å; C302-Q304 PolarHBondContact SG-O 3.38Å
303P71.7Confident79.3Confident128 Ų12881.8 Ų81.883%0.83143%0.428SS*.SBendtrans-69.4-22.1-17828.5-34.9000112.5L301L301-P303 VanDerWaalsContact O-CD 3.23Å; L301-P303 WeakPolarHBondContact O-CD 3.32Å
304Q72.3Confident80.7Confident86 Ų8679 Ų7940%0.40242%0.42SS..SBendtrans-141.8143.5176.9-71.9-177.2-800108.9C302C302-Q304 PolarHBondContact O-N 2.93Å; C302-Q304 PolarHBondContact SG-O 3.38Å
305P72.6Confident81.8Confident63 Ų6375.3 Ų75.341%0.40940%0.4SS..  trans-57.7131.1179.422.8-32.6000110.9T221 W286 G307T221-P305 WeakPolarHBondContact O-CD 3.44Å; W286-P305 HydrophobicContact CH2-CB 3.96Å; W286-P305 HydrophobicContact CH2-CG 3.87Å; W286-P305 HydrophobicContact CZ2-CB 3.97Å; W286-P305 HydrophobicContact CZ2-CG 4.34Å; P305-G307 VanDerWaalsContact C-N 3.31Å; P305-G307 PolarHBondContact O-N 3.03Å
306P73.9Confident82.3Confident14 Ų1471.4 Ų71.49%0.09138%0.384CS..SBendtrans-7588.4178.730.2-32.4000109.2S223 L289 G290 W299S223-P306 WeakPolarHBondContact OG-CA 3.26Å; L289-P306 PolarHBondContact N-O 3.29Å; G290-P306 PolarHBondContact N-O 3.29Å; G290-P306 WeakPolarHBondContact O-CB 3.22Å; W299-P306 HydrophobicContact CZ3-CG 4.04Å
307G77.9Confident83Confident0 Ų071 Ų710%038%0.377CS..EExtended strand (participates in β ladder)trans-148.3178.7171.700000112.2A222 S223 W286 L287 P305A222-G307 VanDerWaalsContact CB-O 3.28Å; A222-G307 WeakPolarHBondContact CB-O 3.36Å; S223-G307 PolarHBondContact OG-O 3.47Å; W286-G307 VanDerWaalsContact CZ2-CA 3.46Å; L287-G307 CarbonylContact O-C 3.59Å; L287-G307 WeakPolarHBondContact O-CA 3.15Å; P305-G307 VanDerWaalsContact C-N 3.31Å; P305-G307 PolarHBondContact O-N 3.03Å
308D85.6Confident83.7Confident52 Ų5273.8 Ų73.828%0.27839%0.387SS..EExtended strand (participates in β ladder)trans-137.5155.1-176-169.74.8000110.4Y220 L287 L289Y220-D308 PolarHBondContact OH-O 3.04Å; L287-D308 HydrophobicContact CB-CB 4.49Å; L287-D308 PolarHBondContact N-O 2.96Å; L287-D308 PolarHBondContact O-N 3.39Å; L289-D308 HydrophobicContact CD1-CB 3.73Å; L289-D308 HydrophobicContact CG-CB 4.19Å
309Y88.7Confident84.6Confident17 Ų1775.9 Ų75.97%0.06739%0.392CS..EExtended strand (participates in β ladder)trans-95.2100.6173.9-176.1-106.5000110.5Y220 L229 F256 C258 S282 I283 G284 Q311Y220-Y309 HydrophobicContact CD2-CD2 4.39Å; Y220-Y309 HydrophobicContact CE1-CD2 4.31Å; Y220-Y309 HydrophobicContact CE1-CG 4.35Å; Y220-Y309 AromaticContact CE2-CD2 3.74Å; Y220-Y309 HydrophobicContact CE2-CD2 3.74Å; Y220-Y309 HydrophobicContact CE2-CE2 4.48Å; Y220-Y309 AromaticContact CZ-CD2 3.66Å; Y220-Y309 WeakPolarHBondContact OH-CA 3.15Å; L229-Y309 HydrophobicContact CD2-CD1 3.69Å; L229-Y309 HydrophobicContact CD2-CD2 3.94Å; L229-Y309 HydrophobicContact CD2-CE1 4.05Å; L229-Y309 HydrophobicContact CD2-CE2 4.27Å; L229-Y309 HydrophobicContact CD2-CG 3.61Å; F256-Y309 HydrophobicContact CB-CE2 4.38Å; C258-Y309 HydrophobicContact CB-CE2 4.3Å; S282-Y309 PolarHBondContact O-OH 3.45Å; S282-Y309 PolarHBondContact OG-OH 2.83Å; I283-Y309 VanDerWaalsContact C-OH 3.23Å; G284-Y309 VanDerWaalsContact CA-CE2 3.47Å; G284-Y309 VanDerWaalsContact CA-CZ 3.49Å; G284-Y309 WeakPolarHBondContact CA-OH 3.31Å; G284-Y309 PolarHBondContact N-OH 2.98Å; Y309-Q311 HydrophobicContact CD1-CB 4.27Å; Y309-Q311 HydrophobicContact CE1-CB 3.87Å; Y309-Q311 HydrophobicContact CE1-CG 4.29Å; Y309-Q311 PolarHBondContact O-N 3.03Å
310Q90.9Very high85.6Confident84 Ų8470.6 Ų70.639%0.39337%0.373SS..EExtended strand (participates in β ladder)trans-80.899.7169.9-174.1178.638.200109.9G284 R285 L287 L312G284-Q310 CarbonylContact C-O 3.5Å; G284-Q310 WeakPolarHBondContact CA-O 3.31Å; R285-Q310 HydrophobicContact CB-CB 4.47Å; R285-Q310 PolarHBondContact N-O 3.1Å; R285-Q310 PolarHBondContact O-N 3.42Å; L287-Q310 HydrophobicContact CD1-CB 3.64Å; L287-Q310 HydrophobicContact CD1-CG 4.25Å; L287-Q310 HydrophobicContact CG-CB 3.84Å; Q310-L312 HydrophobicContact CG-CD2 4.19Å; Q310-L312 PolarHBondContact O-N 3.11Å
311Q92.1Very high86.4Confident103 Ų10367.5 Ų67.548%0.48136%0.362SS..EExtended strand (participates in β ladder)trans-63125173.1-173.2175.5-39.200110.6Y309 T314Y309-Q311 HydrophobicContact CD1-CB 4.27Å; Y309-Q311 HydrophobicContact CE1-CB 3.87Å; Y309-Q311 HydrophobicContact CE1-CG 4.29Å; Y309-Q311 PolarHBondContact O-N 3.03Å; Q311-T314 PolarHBondContact NE2-OG1 3.41Å
312L94.4Very high87Confident57 Ų5761 Ų6130%0.29833%0.327SS..EExtended strand (participates in β ladder)trans-104.1-36.8-179.7-60.5178.2000112.1Y255 I283 R285 Q310 I332Y255-L312 HydrophobicContact CD1-CD1 3.87Å; Y255-L312 HydrophobicContact CE1-CD1 3.72Å; I283-L312 PolarHBondContact O-N 2.78Å; R285-L312 HydrophobicContact CB-CD1 4.04Å; R285-L312 HydrophobicContact CB-CG 4.43Å; Q310-L312 HydrophobicContact CG-CD2 4.19Å; Q310-L312 PolarHBondContact O-N 3.11Å; L312-I332 HydrophobicContact CB-CD1 4.43Å; L312-I332 HydrophobicContact CD1-CG2 4.11Å
313L95.6Very high88.2Confident58 Ų5860.1 Ų60.130%0.30432%0.32SS..EExtended strand (participates in β ladder)trans-145.9133.5-177.5179.167.1000110.9S282 I283 I315 L328 I332S282-L313 CarbonylContact C-O 3.58Å; S282-L313 WeakPolarHBondContact CA-O 3.43Å; S282-L313 VanDerWaalsContact CB-O 3.24Å; S282-L313 WeakPolarHBondContact CB-O 3.22Å; I283-L313 HydrophobicContact CB-CB 4.45Å; I283-L313 PolarHBondContact N-O 3.27Å; I283-L313 PolarHBondContact O-N 2.79Å; L313-I315 HydrophobicContact CD2-CG1 4.44Å; L313-L328 HydrophobicContact CD2-CB 4.18Å; L313-L328 HydrophobicContact CD2-CD1 4.19Å; L313-L328 HydrophobicContact CD2-CD2 4.16Å; L313-L328 HydrophobicContact CD2-CG 4.41Å; L313-I332 HydrophobicContact CB-CD1 3.81Å; L313-I332 HydrophobicContact CD2-CD1 4.08Å
314T95.4Very high89.3Confident72 Ų7258 Ų5844%0.44230%0.302SS..EExtended strand (participates in β ladder)trans-92.5128.3164.5-48.10000108.9L280 Q311L280-T314 HydrophobicContact CD1-CG2 3.81Å; L280-T314 HydrophobicContact CD2-CG2 4.33Å; L280-T314 HydrophobicContact CG-CG2 4.19Å; Q311-T314 PolarHBondContact NE2-OG1 3.41Å
315I94.7Very high90.5Very high53 Ų5354 Ų5427%0.27228%0.283SS..EExtended strand (participates in β ladder)trans-92.8-54.6-179-58.6178.1000110.3L257 W281 I283 L313 P320 L328L257-I315 HydrophobicContact CD1-CD1 3.75Å; W281-I315 HydrophobicContact CB-CB 4.17Å; W281-I315 PolarHBondContact O-N 3.17Å; I283-I315 HydrophobicContact CD1-CD1 4.17Å; I283-I315 HydrophobicContact CG1-CD1 4.03Å; L313-I315 HydrophobicContact CD2-CG1 4.44Å; I315-P320 HydrophobicContact CD1-CB 4.28Å; I315-P320 HydrophobicContact CD1-CG 3.79Å; I315-P320 HydrophobicContact CG2-CB 4.49Å; I315-L328 HydrophobicContact CD1-CD1 3.99Å; I315-L328 HydrophobicContact CG1-CD1 4.13Å
316G92.8Very high91.6Very high20 Ų2051 Ų5121%0.20626%0.263CS..EExtended strand (participates in β ladder)trans146.6-159.6-174.900000112.2W281W281-G316 WeakPolarHBondContact CB-O 3.49Å; W281-G316 PolarHBondContact N-O 2.62Å
317F92.9Very high92.6Very high120 Ų12052 Ų5253%0.52627%0.268SS..SBendtrans-95.7-10.5-174.7-62.9-76.7000114.7Q278 K279 L280Q278-F317 HydrophobicContact CB-CD1 3.91Å; Q278-F317 HydrophobicContact CB-CE1 4.12Å; K279-F317 VanDerWaalsContact O-CA 3.29Å; K279-F317 WeakPolarHBondContact O-CA 3.46Å; L280-F317 HydrophobicContact CB-CD1 4.43Å; L280-F317 HydrophobicContact CB-CE1 4.2Å; L280-F317 HydrophobicContact CD1-CD1 4.25Å; L280-F317 HydrophobicContact CD1-CE1 3.98Å; L280-F317 HydrophobicContact CD1-CZ 4.15Å
318E93.6Very high93.5Very high166 Ų16653.5 Ų53.578%0.77628%0.276SS*.SBendtrans-91.5138.3176.9-171.5175.9-179.100110.7W281 P320W281-E318 VanDerWaalsContact CD1-O 3.23Å; E318-P320 WeakPolarHBondContact O-CD 3.36Å
319E93Very high94Very high86 Ų8651 Ų5140%0.40226%0.263SS..PPolyproline II helixtrans-66118.7175.1-179.9171.2167.200109.8R213 K232 W281R213-E319 IonicContact NH2-OE1 3.84Å; K232-E319 WeakPolarHBondContact CE-OE1 3.44Å; W281-E319 HydrophobicContact CH2-CB 4.12Å; W281-E319 HydrophobicContact CH2-CG 3.58Å; W281-E319 HydrophobicContact CZ2-CB 3.48Å; W281-E319 VanDerWaalsContact CZ2-CB 3.48Å; W281-E319 HydrophobicContact CZ2-CG 3.51Å; W281-E319 HydrophobicContact CZ3-CG 4.21Å
320P94.5Very high94.2Very high8 Ų851.8 Ų51.85%0.05227%0.269CS..PPolyproline II helixtrans-70.4146.4176.931.3-36.1000110.5L257 I315 E318 L324 A325L257-P320 HydrophobicContact CD1-CG 3.83Å; L257-P320 HydrophobicContact CD2-CG 3.88Å; L257-P320 HydrophobicContact CG-CG 4.49Å; I315-P320 HydrophobicContact CD1-CB 4.28Å; I315-P320 HydrophobicContact CD1-CG 3.79Å; I315-P320 HydrophobicContact CG2-CB 4.49Å; E318-P320 WeakPolarHBondContact O-CD 3.36Å; P320-L324 HydrophobicContact CB-CD2 4.14Å; P320-L324 HydrophobicContact CB-CG 4.4Å; P320-A325 HydrophobicContact CB-CB 4.22Å; P320-A325 HydrophobicContact CG-CB 4.12Å
321S94.1Very high94.3Very high50 Ų5054.1 Ų54.135%0.3528%0.28SS..PPolyproline II helixtrans-62.8158.817071.30000111.2V323 L324 A325S321-V323 PolarHBondContact O-N 2.73Å; S321-L324 PolarHBondContact O-N 3.25Å; S321-L324 VanDerWaalsContact OG-CB 3.32Å; S321-L324 WeakPolarHBondContact OG-CB 3.37Å; S321-L324 PolarHBondContact OG-N 3.11Å; S321-A325 VanDerWaalsContact O-CB 3.31Å; S321-A325 WeakPolarHBondContact O-CB 3.3Å; S321-A325 PolarHBondContact O-N 3.39Å
322H91.6Very high94.4Very high0 Ų050.7 Ų50.70%027%0.265CS..Hα-helixtrans-56.6-39.5175.6155.198.1000110.9E138 Q164 M233 T326E138-H322 IonicContact OE1-CD2 2.69Å; E138-H322 IonicContact OE1-CE1 3.88Å; E138-H322 IonicContact OE1-NE2 2.81Å; E138-H322 PolarHBondContact OE1-NE2 2.67Å; E138-H322 IonicContact OE2-NE2 3.05Å; Q164-H322 VanDerWaalsContact OE1-CB 3.27Å; M233-H322 HydrophobicContact CE-CB 4.06Å; M233-H322 WeakPolarHBondContact CE-ND1 3.32Å; M233-H322 HydrophobicContact SD-CB 4.17Å; H322-T326 WeakPolarHBondContact O-CB 3.47Å; H322-T326 PolarHBondContact O-N 2.91Å; H322-T326 VanDerWaalsContact O-N 3.1Å; H322-T326 PolarHBondContact O-OG1 3.24Å
323V93.9Very high94.3Very high25 Ų2548.8 Ų48.815%0.15226%0.255CS..Hα-helixtrans-64.4-52.6176.8177.40000111.4L160 Q164 S321 A325 T326 D327L160-V323 HydrophobicContact CB-CG1 4.07Å; L160-V323 HydrophobicContact CB-CG2 3.84Å; L160-V323 HydrophobicContact CD1-CG1 3.87Å; L160-V323 WeakPolarHBondContact O-CG2 3.41Å; Q164-V323 HydrophobicContact CB-CG2 4.07Å; S321-V323 PolarHBondContact O-N 2.73Å; V323-A325 PolarHBondContact O-N 3.43Å; V323-T326 PolarHBondContact O-N 2.85Å; V323-D327 WeakPolarHBondContact O-CB 3.36Å; V323-D327 VanDerWaalsContact O-CG 3.26Å; V323-D327 PolarHBondContact O-N 3Å
324L95.6Very high93.9Very high85 Ų8550.8 Ų50.845%0.44526%0.264SS..Hα-helixtrans-62.7-45.2-178.2177.561.6000111.5P320 S321 T326 D327 L328P320-L324 HydrophobicContact CB-CD2 4.14Å; P320-L324 HydrophobicContact CB-CG 4.4Å; S321-L324 PolarHBondContact O-N 3.25Å; S321-L324 VanDerWaalsContact OG-CB 3.32Å; S321-L324 WeakPolarHBondContact OG-CB 3.37Å; S321-L324 PolarHBondContact OG-N 3.11Å; L324-T326 VanDerWaalsContact C-N 3.32Å; L324-T326 PolarHBondContact O-N 2.97Å; L324-D327 PolarHBondContact O-N 3.33Å; L324-L328 HydrophobicContact CD1-CD1 4.32Å; L324-L328 HydrophobicContact CD1-CG 4.22Å; L324-L328 HydrophobicContact CG-CD1 4.17Å; L324-L328 HydrophobicContact CG-CG 4.5Å; L324-L328 WeakPolarHBondContact O-CB 3.5Å; L324-L328 VanDerWaalsContact O-CG 3.3Å; L324-L328 WeakPolarHBondContact O-CG 3.45Å; L324-L328 PolarHBondContact O-N 2.76Å
325A96.6Very high93.1Very high0 Ų050.3 Ų50.30%027%0.273CS..Hα-helixtrans-60.8-42.2179.800000111.8M233 W235 L257 P320 S321 V323 L329M233-A325 HydrophobicContact SD-CB 4.36Å; W235-A325 HydrophobicContact CH2-CB 3.93Å; W235-A325 HydrophobicContact CZ2-CB 3.99Å; L257-A325 HydrophobicContact CD1-CB 4.47Å; L257-A325 HydrophobicContact CD2-CB 3.99Å; P320-A325 HydrophobicContact CB-CB 4.22Å; P320-A325 HydrophobicContact CG-CB 4.12Å; S321-A325 VanDerWaalsContact O-CB 3.31Å; S321-A325 WeakPolarHBondContact O-CB 3.3Å; S321-A325 PolarHBondContact O-N 3.39Å; V323-A325 PolarHBondContact O-N 3.43Å; A325-L329 PolarHBondContact O-N 3.37Å; A325-L329 VanDerWaalsContact O-N 3.09Å
326T96.3Very high91.6Very high0 Ų054.5 Ų54.50%029%0.292CS..Hα-helixtrans-69.8-40.9177.3-55.80000111.5F201 I211 W235 H322 V323 L324 L328 L329 V330F201-T326 HydrophobicContact CE1-CG2 3.8Å; F201-T326 HydrophobicContact CZ-CG2 3.89Å; I211-T326 HydrophobicContact CD1-CG2 4.12Å; W235-T326 PolarHBondContact NE1-OG1 3.47Å; W235-T326 VanDerWaalsContact NE1-OG1 3.17Å; H322-T326 WeakPolarHBondContact O-CB 3.47Å; H322-T326 PolarHBondContact O-N 2.91Å; H322-T326 VanDerWaalsContact O-N 3.1Å; H322-T326 PolarHBondContact O-OG1 3.24Å; V323-T326 PolarHBondContact O-N 2.85Å; L324-T326 VanDerWaalsContact C-N 3.32Å; L324-T326 PolarHBondContact O-N 2.97Å; T326-L328 VanDerWaalsContact C-N 3.33Å; T326-L328 PolarHBondContact O-N 2.85Å; T326-L329 PolarHBondContact O-N 3.12Å; T326-V330 WeakPolarHBondContact O-CG2 3.41Å; T326-V330 PolarHBondContact O-N 2.86Å
327D94.6Very high89.4Confident35 Ų3558.7 Ų58.719%0.18731%0.313CS..Hα-helixtrans-64.1-38.7178-72.75.4000111.1R142 R156 V323 L324 V330 Q331R142-D327 IonicContact CZ-OD1 3.23Å; R142-D327 IonicContact NE-OD1 2.97Å; R142-D327 PolarHBondContact NE-OD1 3.34Å; R142-D327 IonicContact NH2-OD1 3.11Å; R142-D327 PolarHBondContact NH2-OD1 3.24Å; R156-D327 IonicContact CZ-OD2 2.73Å; R156-D327 IonicContact NH1-OD1 4Å; R156-D327 IonicContact NH1-OD2 2.67Å; R156-D327 PolarHBondContact NH1-OD2 2.98Å; R156-D327 IonicContact NH2-OD2 2.62Å; V323-D327 WeakPolarHBondContact O-CB 3.36Å; V323-D327 VanDerWaalsContact O-CG 3.26Å; V323-D327 PolarHBondContact O-N 3Å; L324-D327 PolarHBondContact O-N 3.33Å; D327-V330 PolarHBondContact O-N 3.5Å; D327-Q331 WeakPolarHBondContact O-CG 3.46Å; D327-Q331 PolarHBondContact O-N 3.32Å
328L96.2Very high86.6Confident32 Ų3255 Ų5517%0.16831%0.309CS..Hα-helixtrans-63.1-43.2172.2-71.5172.7000112.1I283 L313 I315 L324 T326 Q331 I332I283-L328 HydrophobicContact CD1-CB 3.84Å; L313-L328 HydrophobicContact CD2-CB 4.18Å; L313-L328 HydrophobicContact CD2-CD1 4.19Å; L313-L328 HydrophobicContact CD2-CD2 4.16Å; L313-L328 HydrophobicContact CD2-CG 4.41Å; I315-L328 HydrophobicContact CD1-CD1 3.99Å; I315-L328 HydrophobicContact CG1-CD1 4.13Å; L324-L328 HydrophobicContact CD1-CD1 4.32Å; L324-L328 HydrophobicContact CD1-CG 4.22Å; L324-L328 HydrophobicContact CG-CD1 4.17Å; L324-L328 HydrophobicContact CG-CG 4.5Å; L324-L328 WeakPolarHBondContact O-CB 3.5Å; L324-L328 VanDerWaalsContact O-CG 3.3Å; L324-L328 WeakPolarHBondContact O-CG 3.45Å; L324-L328 PolarHBondContact O-N 2.76Å; T326-L328 VanDerWaalsContact C-N 3.33Å; T326-L328 PolarHBondContact O-N 2.85Å; L328-Q331 PolarHBondContact O-N 3.4Å; L328-I332 WeakPolarHBondContact O-CG1 3.43Å; L328-I332 PolarHBondContact O-N 2.95Å
329L96.3Very high83.8Confident1 Ų153.5 Ų53.51%0.00531%0.314CS..Hα-helixtrans-60.6-46.3175.1176.667.6000111.2W235 Y255 I283 A325 T326 Q331 I332 L333W235-L329 HydrophobicContact CB-CD2 3.45Å; W235-L329 VanDerWaalsContact CB-CD2 3.45Å; W235-L329 HydrophobicContact CD2-CD2 3.39Å; W235-L329 HydrophobicContact CE3-CD2 3.79Å; W235-L329 HydrophobicContact CG-CD2 3.22Å; Y255-L329 HydrophobicContact CD1-CD1 3.76Å; Y255-L329 HydrophobicContact CE1-CD1 4.42Å; Y255-L329 HydrophobicContact CG-CD1 3.86Å; I283-L329 HydrophobicContact CG2-CD1 4.14Å; A325-L329 PolarHBondContact O-N 3.37Å; A325-L329 VanDerWaalsContact O-N 3.09Å; T326-L329 PolarHBondContact O-N 3.12Å; L329-Q331 VanDerWaalsContact C-N 3.28Å; L329-Q331 PolarHBondContact O-N 2.77Å; L329-I332 WeakPolarHBondContact O-CB 3.28Å; L329-I332 PolarHBondContact O-N 3.49Å; L329-I332 VanDerWaalsContact O-N 3.1Å; L329-L333 HydrophobicContact CD1-CD1 4.26Å; L329-L333 HydrophobicContact CD1-CG 4.15Å; L329-L333 HydrophobicContact CD2-CD1 4.36Å; L329-L333 HydrophobicContact CG-CD1 3.95Å; L329-L333 HydrophobicContact CG-CG 4.23Å; L329-L333 WeakPolarHBondContact O-CG 3.29Å; L329-L333 PolarHBondContact O-N 3.32Å
330V93.4Very high80.9Confident33 Ų3353.9 Ų53.920%0.233%0.332CS..Hα-helixtrans-59-41.6178.5173.10000110.7F201 I203 T326 D327 I332 L333 M334F201-V330 HydrophobicContact CE2-CG2 3.63Å; F201-V330 HydrophobicContact CZ-CG2 3.51Å; I203-V330 HydrophobicContact CD1-CG1 4.43Å; I203-V330 HydrophobicContact CD1-CG2 4.02Å; T326-V330 WeakPolarHBondContact O-CG2 3.41Å; T326-V330 PolarHBondContact O-N 2.86Å; D327-V330 PolarHBondContact O-N 3.5Å; V330-I332 PolarHBondContact O-N 3.16Å; V330-L333 PolarHBondContact O-N 3.04Å; V330-M334 HydrophobicContact CG1-CG 4.09Å; V330-M334 WeakPolarHBondContact O-CB 2.98Å; V330-M334 VanDerWaalsContact O-CG 3.22Å; V330-M334 WeakPolarHBondContact O-CG 3.49Å; V330-M334 PolarHBondContact O-N 3.13Å
331Q92.8Very high78.1Confident132 Ų13264.7 Ų64.762%0.61737%0.371SS*.Hα-helixtrans-60.6-42.8174.8-72.1174.511.700112.4D327 L328 L329 G335D327-Q331 WeakPolarHBondContact O-CG 3.46Å; D327-Q331 PolarHBondContact O-N 3.32Å; L328-Q331 PolarHBondContact O-N 3.4Å; L329-Q331 VanDerWaalsContact C-N 3.28Å; L329-Q331 PolarHBondContact O-N 2.77Å; Q331-G335 PolarHBondContact O-N 3.09Å
332I93.4Very high75.2Confident32 Ų3267.3 Ų67.316%0.16439%0.387CS..Hα-helixtrans-60.9-49.8175.5-65.1163.5000109.9I283 L312 L313 L328 L329 V330 M334 G335 Q336I283-I332 HydrophobicContact CB-CD1 4.46Å; I283-I332 HydrophobicContact CG2-CD1 4.22Å; L312-I332 HydrophobicContact CB-CD1 4.43Å; L312-I332 HydrophobicContact CD1-CG2 4.11Å; L313-I332 HydrophobicContact CB-CD1 3.81Å; L313-I332 HydrophobicContact CD2-CD1 4.08Å; L328-I332 WeakPolarHBondContact O-CG1 3.43Å; L328-I332 PolarHBondContact O-N 2.95Å; L329-I332 WeakPolarHBondContact O-CB 3.28Å; L329-I332 PolarHBondContact O-N 3.49Å; L329-I332 VanDerWaalsContact O-N 3.1Å; V330-I332 PolarHBondContact O-N 3.16Å; I332-M334 PolarHBondContact O-N 3.06Å; I332-G335 PolarHBondContact O-N 3.15Å; I332-Q336 HydrophobicContact CG2-CG 4.5Å; I332-Q336 WeakPolarHBondContact O-CG 3.41Å; I332-Q336 PolarHBondContact O-N 3.33Å; I332-Q336 VanDerWaalsContact O-N 3.11Å
333L92.1Very high72.8Confident16 Ų1672.9 Ų72.98%0.08442%0.424CS..Hα-helixtrans-62.4-44.4-178.3-67.1176.8000111.8I203 V209 L237 Y255 L329 V330 G335 Q336 V337I203-L333 HydrophobicContact CD1-CB 4.38Å; I203-L333 HydrophobicContact CD1-CD1 3.62Å; V209-L333 HydrophobicContact CG2-CD1 4.14Å; L237-L333 HydrophobicContact CD1-CD1 4.32Å; L237-L333 HydrophobicContact CD2-CD2 3.96Å; Y255-L333 HydrophobicContact CE1-CD2 4.07Å; Y255-L333 HydrophobicContact CE2-CD2 4.08Å; L329-L333 HydrophobicContact CD1-CD1 4.26Å; L329-L333 HydrophobicContact CD1-CG 4.15Å; L329-L333 HydrophobicContact CD2-CD1 4.36Å; L329-L333 HydrophobicContact CG-CD1 3.95Å; L329-L333 HydrophobicContact CG-CG 4.23Å; L329-L333 WeakPolarHBondContact O-CG 3.29Å; L329-L333 PolarHBondContact O-N 3.32Å; V330-L333 PolarHBondContact O-N 3.04Å; L333-G335 VanDerWaalsContact C-N 3.34Å; L333-G335 PolarHBondContact O-N 2.97Å; L333-Q336 PolarHBondContact O-N 3.23Å; L333-V337 VanDerWaalsContact O-CG2 3.32Å; L333-V337 WeakPolarHBondContact O-CG2 3.43Å; L333-V337 PolarHBondContact O-N 3.41Å
334M87.6Confident70.2Confident100 Ų10077.6 Ų77.649%0.49346%0.458SS..Hα-helixtrans-67.7-33.6177.8-68.1-61.2-74.500112.7I203 V330 I332 Q336 V337I203-M334 HydrophobicContact CG2-CG 4.02Å; I203-M334 HydrophobicContact CG2-SD 3.18Å; I203-M334 WeakPolarHBondContact CG2-SD 3.46Å; V330-M334 HydrophobicContact CG1-CG 4.09Å; V330-M334 WeakPolarHBondContact O-CB 2.98Å; V330-M334 VanDerWaalsContact O-CG 3.22Å; V330-M334 WeakPolarHBondContact O-CG 3.49Å; V330-M334 PolarHBondContact O-N 3.13Å; I332-M334 PolarHBondContact O-N 3.06Å; M334-Q336 VanDerWaalsContact C-N 3.3Å; M334-Q336 PolarHBondContact O-N 2.9Å; M334-V337 PolarHBondContact O-N 3.05Å
335G80Confident67.3Low62 Ų6280.2 Ų80.264%0.63948%0.477SS*.Hα-helixtrans-68.9-25.6174.200000113.8Q331 I332 L333Q331-G335 PolarHBondContact O-N 3.09Å; I332-G335 PolarHBondContact O-N 3.15Å; L333-G335 VanDerWaalsContact C-N 3.34Å; L333-G335 PolarHBondContact O-N 2.97Å
336Q61.5Low64.4Low141 Ų14184.6 Ų84.666%0.65951%0.513SS*.Hα-helixtrans-82.6-13.6176.6-63.8-77.83.500113.2I332 L333 M334 G338I332-Q336 HydrophobicContact CG2-CG 4.5Å; I332-Q336 WeakPolarHBondContact O-CG 3.41Å; I332-Q336 PolarHBondContact O-N 3.33Å; I332-Q336 VanDerWaalsContact O-N 3.11Å; L333-Q336 PolarHBondContact O-N 3.23Å; M334-Q336 VanDerWaalsContact C-N 3.3Å; M334-Q336 PolarHBondContact O-N 2.9Å; Q336-G338 VanDerWaalsContact C-N 3.27Å; Q336-G338 PolarHBondContact O-N 3.09Å
337V48.4Very low61.5Low109 Ų10987.7 Ų87.766%0.66155%0.546SS*.THydrogen-bonded Turntrans-84.96.7-179.2175.50000112.6L333 M334L333-V337 VanDerWaalsContact O-CG2 3.32Å; L333-V337 WeakPolarHBondContact O-CG2 3.43Å; L333-V337 PolarHBondContact O-N 3.41Å; M334-V337 PolarHBondContact O-N 3.05Å
338G33.1Very low58.7Low43 Ų4392.3 Ų92.344%0.44358%0.577SS.*SBendtrans-70.3156.9164.500000112.3Q336 A340Q336-G338 VanDerWaalsContact C-N 3.27Å; Q336-G338 PolarHBondContact O-N 3.09Å; G338-A340 PolarHBondContact O-N 2.91Å
339P34Very low55.8Low134 Ų13498.1 Ų98.187%0.8761%0.608SS**SBendtrans-59132.3-161.126.6-33.6000111.7R341P339-R341 PolarHBondContact O-N 2.81Å
340A32.9Very low52.8Low94 Ų94102.5 Ų102.578%0.77764%0.644SS**  trans-35.8127.8178.700000113.1G338G338-A340 PolarHBondContact O-N 2.91Å
341R35.6Very low50Low234 Ų234113 Ų11388%0.88368%0.68SS**PPolyproline II helixtrans-52130.5160-171.9175.7-171.3153.11108P339P339-R341 PolarHBondContact O-N 2.81Å
342P33.8Very low47.4Very low105 Ų105111.1 Ų111.168%0.68269%0.687SS**PPolyproline II helixtrans-63.6152.1-177.126.6-33000110.2S344P342-S344 PolarHBondContact O-N 2.87Å
343P40.3Very low44.5Very low118 Ų118114.2 Ų114.277%0.76672%0.717SS**PPolyproline II helixtrans-58.4133.7177.824.8-32.6000109.2T345P343-T345 PolarHBondContact O-N 2.79Å
344S39.7Very low42.2Very low124 Ų124119.4 Ų119.487%0.86775%0.752SS**  trans-44.6113167.3-69.60000108.9P342 A346P342-S344 PolarHBondContact O-N 2.87Å; S344-A346 PolarHBondContact O-N 3.14Å; S344-A346 VanDerWaalsContact O-N 3.14Å
345T35.4Very low39.7Very low140 Ų140119.3 Ų119.386%0.85977%0.767SS**  trans-58.3119.1170.410.30000107.7P343 G347P343-T345 PolarHBondContact O-N 2.79Å; T345-G347 PolarHBondContact O-N 2.75Å
346A35.8Very low37.7Very low91 Ų91125.9 Ų125.975%0.75280%0.803SS**  trans-40.3128.1164.500000110.2S344S344-A346 PolarHBondContact O-N 3.14Å; S344-A346 VanDerWaalsContact O-N 3.14Å
347G34.9Very low36.6Very low66 Ų66125.1 Ų125.168%0.6881%0.81SS**PPolyproline II helixtrans-59.9133.1166.600000109.3T345T345-G347 PolarHBondContact O-N 2.75Å
348P36.1Very low35.9Very low131 Ų131125.9 Ų125.985%0.85182%0.818SS**PPolyproline II helixtrans-75.4134.5172.711.9-1.9000110.5
349L33.9Very low36.1Very low155 Ų155130.6 Ų130.681%0.81284%0.839SS**PPolyproline II helixtrans-47.6143.3169.3-81.5105.2000113.8
350A34.6Very low36.2Very low92 Ų92130.4 Ų130.476%0.7684%0.837SS**  trans15.3116.1137.200000117.5
351W34.8Very low36.4Very low255 Ų255132.6 Ų132.697%0.96684%0.841SS**  trans-109.8116.4154.6-90.955.5000109.4
352A37.7Very low36.5Very low91 Ų91125.9 Ų125.975%0.75284%0.838SS**PPolyproline II helixtrans-66.4138.9165.800000110.1
353A33.2Very low36.7Very low97 Ų97127.4 Ų127.480%0.80285%0.849SS**PPolyproline II helixtrans-82.6136.9167.100000109.8
354P43.8Very low36.4Very low125 Ų125128.1 Ų128.181%0.81286%0.855SS**PPolyproline II helixtrans-87.7147.6165.533.8-28.5000110.8
355A34.3Very low36.1Very low98 Ų98128.4 Ų128.481%0.8185%0.854SS**PPolyproline II helixtrans-63.7148.5175.500000113.2
356S38.8Very low36.2Very low200 Ų200127.4 Ų127.4100%1.39985%0.854SS**  trans-152.80141.6-72.30000108.8

Retrieved 356 of 356 residues in 80.7 ms (Link to these results)