A0A093JN20_STRCA Loading...

5'-AMP-activated protein kinase subunit beta-2

Non-catalytic subunit of AMP-activated protein kinase (AMPK), an energy sensor protein kinase that plays a key role in regulating cellular energy metabolism. In response to reduction of intracellular ATP levels, AMPK activates energy-producing pathways and inhibits energy-consuming processes: inhibits protein, carbohydrate and lipid biosynthesis, as well as cell growth and proliferation. AMPK acts via direct phosphorylation of metabolic enzymes, and by longer-term effects via phosphorylation of transcription regulators. Also acts as a regulator of cellular polarity by remodeling the actin cytoskeleton; probably by indirectly activating myosin. Beta non-catalytic subunit acts as a scaffold on which the AMPK complex assembles, via its C-terminus that bridges alpha (PRKAA1 or PRKAA2) and gamma subunits (PRKAG1, PRKAG2 or PRKAG3).

AlphaFold DB , UniProt , Accession A0A093JN20, Species STRCA (Struthio camelus australis), Gene n/a, Length 274 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
1M37.4Very low35.8Very low253 Ų253144.3 Ų144.3100%1.24685%0.848SS**  0111.40-68.9-174.2-103.700106.5
2G38.5Very low35.2Very low79 Ų79146.7 Ų146.781%0.81485%0.845SS**  cis-146.8162.3200000110.8
3N33.6Very low35Very low147 Ų147151.5 Ų151.579%0.78684%0.841SS**  trans-77.2155.5174.6-87.7-3.8000111.6
4T46.9Very low34.8Very low148 Ų148153.4 Ų153.491%0.90884%0.84SS**  trans-142121134.152.50000110.5
5T42.9Very low34.4Very low118 Ų118147.7 Ų147.772%0.72483%0.83SS**  trans-103.8151171.645.30000110.3
6S34.2Very low34.2Very low111 Ų111146.3 Ų146.378%0.77683%0.833SS**  trans162110.8136.6-96.70000108.6
7E32.8Very low34.1Very low144 Ų144149.1 Ų149.167%0.67383%0.834SS**  67.5108.677.5-74.5-138.5117.200115.9
8R34.2Very low34.1Very low210 Ų210147.8 Ų147.879%0.79284%0.836SS**  trans49.1133.2131.7-64.2175.6171150-9.9119.5
9L31.1Very low33.9Very low174 Ų174147.9 Ų147.991%0.91183%0.829SS**  -172.6150.7107.6-93.1170.6000112.5
10S32.2Very low33.8Very low119 Ų119151.9 Ų151.983%0.83283%0.83SS**  trans-73.9157.9-170.6-46.90000114.9
11G30.4Very low33.6Very low84 Ų84150.3 Ų150.387%0.86683%0.83SS**  trans-158.1106.6165.500000110.7
12E28Very low33.3Very low173 Ų173146.6 Ų146.681%0.80882%0.815SS**  trans-95.9167.1-170.8-126.3-176.1113.100112.8
13R33.2Very low32.8Very low210 Ų210145.9 Ų145.979%0.79281%0.808SS**  trans85134163.4-61.9169-177-152.40.6116.6
14H32.3Very low32.5Very low178 Ų178145 Ų14582%0.82481%0.814SS**  cis-138.1155.823.2-85.4-94.7000109.5
15G27.9Very low31.6Very low67 Ų67141.8 Ų141.869%0.69181%0.81SS**  cis10985.915.800000112
16S32.3Very low31.2Very low126 Ų126140.7 Ų140.788%0.88181%0.812SS**  trans-169.5105.814646.40000111.9
17K32.5Very low31.4Very low194 Ų194141.5 Ų141.584%0.84382%0.815SS**  trans-90.4149160.7-75.5178.6173.4177.40108.7
18S33.1Very low31.3Very low126 Ų126143.7 Ų143.788%0.88183%0.825SS**  trans-137.8128.6148.149.80000110.2
19H31.1Very low31.1Very low150 Ų150139.2 Ų139.269%0.69483%0.826SS**  trans-69.2136.9178-97.6-111.5000111.9
20R31.2Very low31Very low227 Ų227136 Ų13686%0.85782%0.818SS**  57.6121.298.8-73.2-168.1169-176.7-3.1117.6
21S30.8Very low30.8Very low119 Ų119140.5 Ų140.583%0.83282%0.822SS**  -160.9142.6128.4570000111.8
22D29.6Very low30.8Very low174 Ų174145 Ų14593%0.9382%0.821SS**  trans-64.6168.3-174.1-73.6-58.4000117.3
23G28.1Very low31Very low64 Ų64145.4 Ų145.466%0.6682%0.823SS**  trans147.382.9137.900000119.2
24S28.9Very low31.4Very low130 Ų130140.3 Ų140.391%0.90982%0.817SS**  trans47.8130.8134.361.60000123
25G27.4Very low31.4Very low80 Ų80140.9 Ų140.983%0.82582%0.819SS**  trans14489.3140.700000116.7
26A33.3Very low31.7Very low94 Ų94147.5 Ų147.578%0.77783%0.829SS**  trans-84.2161.6151.200000108.6
27P38.9Very low31.9Very low129 Ų129148.6 Ų148.684%0.83882%0.823SS**  -146.2157.382.534.2-15000116.5
28H30.3Very low32Very low189 Ų189148.4 Ų148.488%0.87583%0.828SS**  trans-55.2146.3159.3-100.9-97.6000112.7
29S30.6Very low32.2Very low117 Ų117148.8 Ų148.882%0.81883%0.825SS**  trans-121.3112.9155.966.80000111
30S28.4Very low32.2Very low107 Ų107144.6 Ų144.675%0.74882%0.822SS**  trans-66.2149.4168.840.80000114.1
31K29.6Very low32.3Very low212 Ų212139.1 Ų139.192%0.92282%0.818SS**  trans-141.495.9148.4-83.7-170.4177.8177.30109.9
32E28.9Very low32.5Very low178 Ų178138.9 Ų138.983%0.83281%0.812SS**  trans-80.3155.6143.6-73.5-174.2146.800108.2
33H33.1Very low32.8Very low183 Ų183137.4 Ų137.485%0.84780%0.804SS**  trans-156.2153.4132.6-103.376.4000110.5
34P41.5Very low33.3Very low102 Ų102141.9 Ų141.966%0.66281%0.813SS**  trans-107.1162.4-155.838.9-28.9000112.8
35H31.6Very low34.1Very low190 Ų190140.1 Ų140.188%0.8880%0.799SS**  trans-124.2136168.2-53.7-55.2000111.4
36K35.5Very low34.5Very low206 Ų206141.5 Ų141.590%0.89680%0.796SS**  trans-72.9146-164.9-73.2168.8169.5176.30114.1
37I36.4Very low34.6Very low149 Ų149142.7 Ų142.776%0.76479%0.793SS**  trans-13.7130.7144-56.2165.7000115.4V39I37-V39 HydrophobicContact CG2-CG2 4.05Å
38M34.7Very low34.5Very low190 Ų190146.1 Ų146.194%0.93680%0.795SS**  -150.8140.4128.9-115.7170.573.600111.9
39V37.3Very low34.6Very low135 Ų135142.2 Ų142.282%0.81879%0.789SS**  trans-98.7152.5-168.8179.40000109.1I37I37-V39 HydrophobicContact CG2-CG2 4.05Å
40G30.4Very low35.1Very low61 Ų61141.5 Ų141.563%0.62978%0.784SS**  trans140.2107.5160.400000111.1
41S32.9Very low35.3Very low112 Ų112145.7 Ų145.778%0.78379%0.791SS**  66.6125.285-152.40000109.7
42T36Very low35.6Very low115 Ų115142.4 Ų142.471%0.70678%0.784SS**  cis-170.4166.125.4-16.90000107.3
43D34.6Very low35.9Very low143 Ų143139.6 Ų139.677%0.76578%0.784SS**  trans-43145.1170.1-49.2-76.9000115.1
44D39.6Very low36.1Very low157 Ų157139.9 Ų139.984%0.8478%0.783SS**  177.8152.499.9-137.814.6000111.5
45P44.3Very low35.7Very low94 Ų94142.9 Ų142.961%0.6179%0.791SS**  trans-103176.3-169.141.5-33.4000113.5
46S36.3Very low36.1Very low109 Ų109139.4 Ų139.476%0.76279%0.786SS**  trans70.8131.8171.977.80000114
47V35Very low35.9Very low119 Ų119132.5 Ų132.572%0.72177%0.773SS**  -163.4133.971.2157.70000108.8S49V47-S49 PolarHBondContact O-N 3.23Å
48F37.1Very low36Very low200 Ų200133 Ų13388%0.87778%0.778SS**  trans-59.4123.8161.8-110.2-101.4000110.2
49S31.9Very low36.2Very low107 Ų107133.7 Ų133.775%0.74878%0.775SS**  trans-156.6108.3150.431.80000110.2V47V47-S49 PolarHBondContact O-N 3.23Å
50S41.9Very low36.6Very low102 Ų102136.7 Ų136.771%0.71378%0.78SS**  trans-53.2132165.7-43.20000110.4
51H32.6Very low36.8Very low195 Ų195143 Ų14390%0.90379%0.791SS**  trans-160134.8138.1-112.9-76.9000111.7
52D36.9Very low37.2Very low144 Ų144145.9 Ų145.977%0.7779%0.794SS**  trans-61.4135.5-177.7-158-0.6000112.4
53S34.4Very low37.2Very low119 Ų119144.9 Ų144.983%0.83279%0.792SS**  trans-160.5109.9163.6-75.30000110.2
54K36.7Very low37.6Very low189 Ų189149.9 Ų149.982%0.82280%0.8SS**  trans-59.3165.5168.1-86.3174.5171.7175.80112.4
55I34.5Very low37.6Very low164 Ų164150 Ų15084%0.84180%0.796SS**  trans127.4143.8157.3-59.7156000110
56P38.7Very low37.5Very low117 Ų117150.9 Ų150.976%0.7680%0.801SS**  -122.6-179.9-85.438.9-17.1000112
57G31.3Very low37.7Very low62 Ų62153 Ų15364%0.63980%0.804SS**  trans72.4113.9147.800000118.8
58D39.1Very low38.2Very low160 Ų160155.5 Ų155.586%0.85681%0.812SS**  trans8088.9140.6-49.2-14.2000117.8
59K39.8Very low38.7Very low204 Ų204154.7 Ų154.789%0.88781%0.811SS**  -159.7114.5119.7-100.5155-169.3-177.20109F61K59-F61 PolarHBondContact O-N 3Å
60E43.9Very low39.4Very low198 Ų198157.4 Ų157.493%0.92581%0.812SS**  trans-4496.5166.4-69.4170.913000110M62E60-M62 PolarHBondContact O-N 2.89Å
61F35.7Very low39.6Very low193 Ų193157.4 Ų157.485%0.84682%0.818SS**  trans-74.7119.2158.9-162.9-97.2000105.1K59 S63K59-F61 PolarHBondContact O-N 3Å; F61-S63 VanDerWaalsContact C-N 3.28Å; F61-S63 PolarHBondContact O-N 3.34Å
62M40Very low40.2Very low172 Ų172152.9 Ų152.985%0.84780%0.804SS**  trans-5093.3-180-60.3-174.597.700109.7E60 W64E60-M62 PolarHBondContact O-N 2.89Å; M62-W64 PolarHBondContact O-N 2.92Å
63S36.2Very low40.5Very low95 Ų95154.8 Ų154.866%0.66481%0.806SS**  trans-65.8116.4164.346.20000104.6F61 Q65F61-S63 VanDerWaalsContact C-N 3.28Å; F61-S63 PolarHBondContact O-N 3.34Å; S63-Q65 VanDerWaalsContact C-N 3.26Å; S63-Q65 PolarHBondContact O-N 2.88Å
64W43.1Very low41Very low247 Ų247155.3 Ų155.394%0.93681%0.806SS**  trans-51.7102.3161.2-77.676.2000106.3M62 P66M62-W64 PolarHBondContact O-N 2.92Å; W64-P66 VanDerWaalsContact O-CD 3.3Å; W64-P66 WeakPolarHBondContact O-CD 3.31Å
65Q40.2Very low41.8Very low161 Ų161150.1 Ų150.175%0.75279%0.794SS**  trans-67.1118.1167.6-72-170.8-1000104.7S63 D67S63-Q65 VanDerWaalsContact C-N 3.26Å; S63-Q65 PolarHBondContact O-N 2.88Å; Q65-D67 PolarHBondContact O-N 3.01Å
66P42.6Very low43.2Very low111 Ų111150.1 Ų150.172%0.72179%0.79SS**  trans-59.7125.3161-3.820.2000104.3W64 L68W64-P66 VanDerWaalsContact O-CD 3.3Å; W64-P66 WeakPolarHBondContact O-CD 3.31Å; P66-L68 PolarHBondContact O-N 3.09Å
67D40.4Very low45.2Very low153 Ų153151.2 Ų151.282%0.81879%0.785SS**  trans-43.7121.4169.1-76.2-36.9000106.6Q65 E69Q65-D67 PolarHBondContact O-N 3.01Å; D67-E69 PolarHBondContact O-N 2.8Å
68L46.2Very low47.9Very low172 Ų172150.5 Ų150.590%0.90177%0.773SS**  trans-62.784.9167-75.2162.7000104.9P66 E70P66-L68 PolarHBondContact O-N 3.09Å; L68-E70 PolarHBondContact O-N 2.86Å
69E47.3Very low50.3Low183 Ų183145.2 Ų145.286%0.85574%0.741SS**  trans-59.481.8149.3-80.2-171.216100104.7D67 A71D67-E69 PolarHBondContact O-N 2.8Å; E69-A71 PolarHBondContact O-N 2.88Å
70E46Very low52.9Low165 Ų165139.3 Ų139.377%0.77172%0.724SS**  trans-44.8119159.2-151.4170-15300104.7L68 V72L68-E70 PolarHBondContact O-N 2.86Å; E70-V72 PolarHBondContact O-N 2.91Å
71A45.3Very low55.4Low101 Ų101130.5 Ų130.584%0.83568%0.683SS**  trans-6673.2179.300000108.7E69 K73E69-A71 PolarHBondContact O-N 2.88Å; A71-K73 VanDerWaalsContact C-N 3.3Å; A71-K73 PolarHBondContact O-N 2.81Å
72V46.6Very low58.3Low101 Ų101125.8 Ų125.861%0.61267%0.67SS**  trans-64.5102.4162.5-178.30000102.9E70E70-V72 PolarHBondContact O-N 2.91Å
73K41.7Very low61Low183 Ų183117.7 Ų117.780%0.79663%0.63SS**  trans-39.4130159.2-65.7177.1179.9178.20105.7A71 S75A71-K73 VanDerWaalsContact C-N 3.3Å; A71-K73 PolarHBondContact O-N 2.81Å; K73-S75 PolarHBondContact O-N 2.76Å
74P44.9Very low63.8Low130 Ų130120 Ų12084%0.84463%0.625SS**  trans-61.890.5178.924.7-31.8000107.3
75S53.8Low66.4Low81 Ų81108.8 Ų108.857%0.56658%0.582SS**  trans-58.6140.1156.847.40000104.1K73 Q77K73-S75 PolarHBondContact O-N 2.76Å; S75-Q77 PolarHBondContact O-N 3.45Å
76Q64.8Low69Low163 Ų163103.3 Ų103.376%0.76256%0.564SS**  trans-61.482.4171.5-70.7174.4-3400107.4A78 P121Q76-A78 PolarHBondContact O-N 2.9Å; Q76-A78 VanDerWaalsContact O-N 3.16Å; Q76-P121 HydrophobicContact CB-CB 4.19Å
77Q79.6Confident71.3Confident141 Ų141103.1 Ų103.166%0.65956%0.557SS**  trans-67.1118.6-174.4-173.6173.58.500106S75 R79S75-Q77 PolarHBondContact O-N 3.45Å; Q77-R79 VanDerWaalsContact O-CG 3.23Å; Q77-R79 WeakPolarHBondContact O-CG 3.31Å
78A88.2Confident73.6Confident46 Ų4697.2 Ų97.238%0.3853%0.532SS..  trans-64.1141.8172.800000109Q76 D119 L120Q76-A78 PolarHBondContact O-N 2.9Å; Q76-A78 VanDerWaalsContact O-N 3.16Å; A78-D119 HydrophobicContact CB-CB 3.85Å; A78-L120 WeakPolarHBondContact CA-O 3.42Å
79R89.4Confident75.8Confident50 Ų5090.2 Ų90.219%0.18950%0.502CS..EExtended strand (participates in β ladder)trans-133.7144.7-171.3-49.2-175.1168.3-164.6-10111.2Q77 T81 D119 L120 K159 F162Q77-R79 VanDerWaalsContact O-CG 3.23Å; Q77-R79 WeakPolarHBondContact O-CG 3.31Å; R79-T81 PolarHBondContact O-N 2.63Å; R79-T81 VanDerWaalsContact O-N 3.14Å; R79-T81 PolarHBondContact O-OG1 3Å; R79-D119 CarbonylContact O-C 3.58Å; R79-D119 WeakPolarHBondContact O-CA 3.38Å; R79-L120 PolarHBondContact N-O 3.32Å; R79-L120 PolarHBondContact O-N 3.39Å; R79-K159 PolarHBondContact NH1-O 2.8Å; R79-F162 HydrophobicContact CB-CD1 3.87Å; R79-F162 HydrophobicContact CB-CE1 3.15Å; R79-F162 HydrophobicContact CB-CE2 3.88Å; R79-F162 HydrophobicContact CB-CZ 3.13Å; R79-F162 HydrophobicContact CG-CD1 4.41Å; R79-F162 HydrophobicContact CG-CE1 4.06Å; R79-F162 HydrophobicContact CG-CE2 4.14Å; R79-F162 HydrophobicContact CG-CZ 3.89Å; R79-F162 VanDerWaalsContact NH1-CG 3.33Å
80P95.4Very high77.9Confident80 Ų8089.8 Ų89.852%0.51950%0.497SS..EExtended strand (participates in β ladder)trans-65.9117.8-172.225.6-34.7000110.5I117 D119P80-I117 HydrophobicContact CB-CG2 3.98Å; P80-D119 VanDerWaalsContact CA-OD1 3.29Å; P80-D119 WeakPolarHBondContact CA-OD1 3.41Å
81T96.3Very high80.2Confident13 Ų1388 Ų888%0.0849%0.489CS..EExtended strand (participates in β ladder)trans-118.7125.7-179.5-54.70000108.7R79 I117 L118 L120 I155 V157R79-T81 PolarHBondContact O-N 2.63Å; R79-T81 VanDerWaalsContact O-N 3.14Å; R79-T81 PolarHBondContact O-OG1 3Å; T81-I117 WeakPolarHBondContact O-CA 3.34Å; T81-L118 WeakPolarHBondContact CB-O 3.34Å; T81-L118 PolarHBondContact N-O 2.85Å; T81-L118 PolarHBondContact O-N 2.84Å; T81-L120 HydrophobicContact CG2-CD1 4.06Å; T81-I155 HydrophobicContact CG2-CD1 3.51Å; T81-V157 HydrophobicContact CG2-CG2 4.18Å
82V96.1Very high82.7Confident93 Ų9383.4 Ų83.456%0.56445%0.45SS*.EExtended strand (participates in β ladder)trans-86.9124.8179.4-1760000108.8V115 I117V82-V115 HydrophobicContact CG1-CG1 3.82Å; V82-I117 HydrophobicContact CG2-CG1 4.35Å
83I96.7Very high85.2Confident3 Ų381 Ų812%0.01543%0.431CS..EExtended strand (participates in β ladder)trans-118129171.9-55.1176.2000108.2I94 V115 A116 L118 Y127 F129I83-I94 HydrophobicContact CB-CD1 4.18Å; I83-I94 HydrophobicContact CD1-CD1 3.61Å; I83-I94 HydrophobicContact CG1-CD1 4.49Å; I83-I94 HydrophobicContact CG2-CD1 3.59Å; I83-V115 WeakPolarHBondContact O-CA 3.28Å; I83-A116 PolarHBondContact N-O 2.88Å; I83-A116 PolarHBondContact O-N 2.82Å; I83-L118 HydrophobicContact CD1-CD1 4.03Å; I83-Y127 HydrophobicContact CG2-CD2 4.29Å; I83-Y127 HydrophobicContact CG2-CE2 3.83Å; I83-F129 HydrophobicContact CG2-CE1 4.07Å; I83-F129 HydrophobicContact CG2-CZ 3.72Å
84R96.3Very high87.8Confident144 Ų14472.2 Ų72.254%0.54339%0.393SS..EExtended strand (participates in β ladder)trans-126.2147.1-172.5-174.6168.370.4145.6-6.4111D113 F114 V115R84-D113 WeakPolarHBondContact CD-OD2 3.29Å; R84-D113 HydrophobicContact CG-CB 4.03Å; R84-D113 IonicContact CZ-OD2 2.73Å; R84-D113 IonicContact NE-OD2 3.47Å; R84-D113 IonicContact NH1-OD2 3.77Å; R84-D113 PolarHBondContact NH1-OD2 3.46Å; R84-F114 CarbonylContact C-O 3.54Å; R84-F114 WeakPolarHBondContact CA-O 3.12Å; R84-V115 HydrophobicContact CG-CG2 4.1Å
85W96.7Very high90.3Very high11 Ų1166.1 Ų66.14%0.04235%0.354CS..EExtended strand (participates in β ladder)trans-130.2119.2173.6172.8-97000109.4D87 G88 V92 L107 D113 F114 F129 V131 V136 D138W85-D87 HydrophobicContact CH2-CB 4.01Å; W85-D87 HydrophobicContact CZ2-CB 3.48Å; W85-D87 VanDerWaalsContact CZ2-CB 3.48Å; W85-G88 PolarHBondContact NE1-O 2.86Å; W85-V92 HydrophobicContact CB-CG1 4.35Å; W85-V92 HydrophobicContact CG-CG1 4.15Å; W85-L107 HydrophobicContact CB-CD2 4.13Å; W85-D113 CarbonylContact O-C 3.02Å; W85-D113 WeakPolarHBondContact O-CA 3.38Å; W85-F114 HydrophobicContact CB-CB 4.15Å; W85-F114 PolarHBondContact N-O 3.03Å; W85-F114 PolarHBondContact O-N 2.81Å; W85-F129 HydrophobicContact CB-CD1 4.2Å; W85-F129 HydrophobicContact CB-CE1 3.86Å; W85-F129 HydrophobicContact CB-CZ 4.12Å; W85-F129 HydrophobicContact CD2-CD2 4.37Å; W85-F129 HydrophobicContact CD2-CG 4.28Å; W85-F129 HydrophobicContact CE3-CB 4.31Å; W85-F129 HydrophobicContact CE3-CD1 4.28Å; W85-F129 AromaticContact CE3-CD2 3.43Å; W85-F129 HydrophobicContact CE3-CD2 3.43Å; W85-F129 VanDerWaalsContact CE3-CD2 3.43Å; W85-F129 HydrophobicContact CE3-CE1 4.48Å; W85-F129 AromaticContact CE3-CE2 3.65Å; W85-F129 HydrophobicContact CE3-CE2 3.65Å; W85-F129 AromaticContact CE3-CG 3.75Å; W85-F129 HydrophobicContact CE3-CG 3.75Å; W85-F129 HydrophobicContact CE3-CZ 4.18Å; W85-F129 HydrophobicContact CZ3-CB 4.46Å; W85-F129 AromaticContact CZ3-CD2 3.74Å; W85-F129 HydrophobicContact CZ3-CD2 3.74Å; W85-F129 HydrophobicContact CZ3-CE2 4.24Å; W85-F129 HydrophobicContact CZ3-CG 4.23Å; W85-V131 HydrophobicContact CD2-CG2 4.42Å; W85-V131 HydrophobicContact CZ2-CG2 3.8Å; W85-V136 HydrophobicContact CH2-CB 4.28Å; W85-V136 HydrophobicContact CH2-CG2 3.52Å; W85-V136 HydrophobicContact CZ2-CG2 3.89Å; W85-V136 HydrophobicContact CZ3-CG2 4.17Å; W85-D138 HydrophobicContact CE3-CB 4.27Å; W85-D138 HydrophobicContact CZ3-CB 4.09Å
86A94.9Very high92.3Very high45 Ų4562.3 Ų62.337%0.37233%0.327SS..  trans-103.3-12.1-17300000114.4G88A86-G88 PolarHBondContact O-N 2.82Å; A86-G88 VanDerWaalsContact O-N 3.09Å
87D91.3Very high93.8Very high108 Ų10856.4 Ų56.458%0.57830%0.304SS*.SBendtrans-82.417.5-171.1-73.4-18000114.4W85W85-D87 HydrophobicContact CH2-CB 4.01Å; W85-D87 HydrophobicContact CZ2-CB 3.48Å; W85-D87 VanDerWaalsContact CZ2-CB 3.48Å
88G88.9Confident94.5Very high28 Ų2852.3 Ų52.329%0.28928%0.284SS..  trans70.3-170.1178.200000114.5W85 A86W85-G88 PolarHBondContact NE1-O 2.86Å; A86-G88 PolarHBondContact O-N 2.82Å; A86-G88 VanDerWaalsContact O-N 3.09Å
89G91.1Very high94.7Very high26 Ų2651.1 Ų51.127%0.26827%0.271SS..  trans137.2167-175.200000113K109 F114G89-K109 PolarHBondContact O-NZ 3.22Å; G89-F114 VanDerWaalsContact O-CZ 3.28Å; G89-F114 WeakPolarHBondContact O-CZ 3.49Å
90K91.9Very high94.9Very high174 Ų17455.5 Ų55.576%0.75730%0.298SS*.SBendtrans-92.8-51.5171.1-61.1179.2-178.1175.30110.6D132K90-D132 WeakPolarHBondContact CA-OD1 3.4Å; K90-D132 VanDerWaalsContact CB-OD1 3.31Å; K90-D132 WeakPolarHBondContact CB-OD1 3.35Å; K90-D132 PolarHBondContact N-OD1 3.11Å; K90-D132 PolarHBondContact N-OD2 2.88Å
91E94.6Very high94.9Very high128 Ų12856.5 Ų56.560%0.59829%0.292SS*.SBendtrans-126.8118.4179.7-61.6-175.2117.600109.5F93 V131 D132E91-F93 HydrophobicContact CB-CE2 3.84Å; E91-F93 HydrophobicContact CB-CZ 4.48Å; E91-V131 WeakPolarHBondContact O-CA 3.26Å; E91-D132 PolarHBondContact N-OD1 2.68Å; E91-D132 PolarHBondContact O-N 3.26Å
92V97.7Very high94.7Very high4 Ų460.2 Ų60.22%0.02432%0.318CS..EExtended strand (participates in β ladder)trans-121.4126.7-177.9-178.80000108.6W85 L107 F114 F129 V131W85-V92 HydrophobicContact CB-CG1 4.35Å; W85-V92 HydrophobicContact CG-CG1 4.15Å; V92-L107 HydrophobicContact CB-CB 4.36Å; V92-L107 HydrophobicContact CG1-CB 4.24Å; V92-L107 HydrophobicContact CG1-CD1 4.38Å; V92-L107 HydrophobicContact CG1-CD2 3.88Å; V92-L107 HydrophobicContact CG1-CG 4.37Å; V92-L107 PolarHBondContact O-N 2.92Å; V92-F114 HydrophobicContact CB-CB 4.2Å; V92-F114 HydrophobicContact CB-CD1 3.65Å; V92-F114 HydrophobicContact CB-CD2 4.4Å; V92-F114 HydrophobicContact CB-CE1 4Å; V92-F114 HydrophobicContact CB-CG 3.85Å; V92-F114 HydrophobicContact CG1-CB 4.21Å; V92-F114 HydrophobicContact CG1-CG 4.36Å; V92-F114 HydrophobicContact CG2-CB 4.37Å; V92-F114 HydrophobicContact CG2-CD1 3.68Å; V92-F114 HydrophobicContact CG2-CD2 3.7Å; V92-F114 HydrophobicContact CG2-CE1 3.69Å; V92-F114 HydrophobicContact CG2-CE2 3.73Å; V92-F114 HydrophobicContact CG2-CG 3.66Å; V92-F114 HydrophobicContact CG2-CZ 3.7Å; V92-F129 HydrophobicContact CG1-CD1 4.25Å; V92-V131 HydrophobicContact CG1-CG2 4.06Å; V92-V131 HydrophobicContact CG2-CG1 4.19Å; V92-V131 HydrophobicContact CG2-CG2 4.19Å
93F97.9Very high94.6Very high49 Ų4959.6 Ų59.622%0.21532%0.315CS..EExtended strand (participates in β ladder)trans-126.6161.9174.2-52.6-100.2000110.7E91 K104 I105 P106 F129 F130E91-F93 HydrophobicContact CB-CE2 3.84Å; E91-F93 HydrophobicContact CB-CZ 4.48Å; F93-K104 HydrophobicContact CB-CB 3.8Å; F93-K104 HydrophobicContact CB-CG 4.44Å; F93-K104 HydrophobicContact CD1-CB 3.93Å; F93-K104 HydrophobicContact CG-CB 4.01Å; F93-I105 CarbonylContact C-O 2.99Å; F93-I105 WeakPolarHBondContact CA-O 3.19Å; F93-I105 WeakPolarHBondContact CB-O 3.39Å; F93-P106 HydrophobicContact CD1-CB 3.85Å; F93-P106 HydrophobicContact CE1-CB 3.83Å; F93-F129 CarbonylContact O-C 3.6Å; F93-F129 WeakPolarHBondContact O-CA 3.48Å; F93-F130 HydrophobicContact CB-CB 4.29Å; F93-F130 HydrophobicContact CD2-CD1 4.02Å; F93-F130 PolarHBondContact N-O 3.21Å; F93-F130 PolarHBondContact O-N 3.1Å
94I97.7Very high94.5Very high0 Ų063.9 Ų63.90%033%0.333CS..EExtended strand (participates in β ladder)trans-127.3144.3173.5-171.3170.8000110.9I83 F98 I105 L107 L118 Y127 F129I83-I94 HydrophobicContact CB-CD1 4.18Å; I83-I94 HydrophobicContact CD1-CD1 3.61Å; I83-I94 HydrophobicContact CG1-CD1 4.49Å; I83-I94 HydrophobicContact CG2-CD1 3.59Å; I94-F98 HydrophobicContact CD1-CZ 4.43Å; I94-F98 HydrophobicContact CG1-CZ 4.35Å; I94-I105 HydrophobicContact CG2-CB 3.92Å; I94-I105 PolarHBondContact N-O 2.91Å; I94-I105 PolarHBondContact O-N 2.82Å; I94-L107 HydrophobicContact CB-CD1 3.65Å; I94-L107 HydrophobicContact CG2-CD1 3.47Å; I94-L107 VanDerWaalsContact CG2-CD1 3.47Å; I94-L118 HydrophobicContact CG2-CD1 4.45Å; I94-Y127 HydrophobicContact CD1-CD2 3.59Å; I94-Y127 HydrophobicContact CD1-CE2 4.33Å; I94-Y127 HydrophobicContact CD1-CG 4.1Å; I94-Y127 HydrophobicContact CG1-CD2 4.18Å; I94-F129 HydrophobicContact CB-CD1 4.37Å; I94-F129 HydrophobicContact CD1-CE1 4.13Å
95S97.4Very high94.6Very high2 Ų259.2 Ų59.21%0.01432%0.319CS..EExtended strand (participates in β ladder)trans-137.1152.6167.7-60.30000109.1W101 T103 Y127 K128S95-W101 WeakPolarHBondContact O-CZ3 3.26Å; S95-T103 PolarHBondContact OG-O 2.87Å; S95-Y127 CarbonylContact O-C 3.29Å; S95-Y127 VanDerWaalsContact O-CA 3.31Å; S95-Y127 WeakPolarHBondContact O-CA 3.4Å; S95-K128 PolarHBondContact N-O 3.1Å; S95-K128 VanDerWaalsContact N-O 3.11Å; S95-K128 PolarHBondContact O-N 2.95Å
96G96.1Very high94.6Very high0 Ų062.7 Ų62.70%034%0.343CS..EExtended strand (participates in β ladder)trans-164.8-172.8-179.100000114.2F98 N99 N100 W101 Q126G96-F98 PolarHBondContact O-N 3.03Å; G96-N99 PolarHBondContact N-OD1 2.85Å; G96-N99 PolarHBondContact O-N 2.76Å; G96-N99 PolarHBondContact O-OD1 2.68Å; G96-N100 PolarHBondContact O-N 3.02Å; G96-W101 PolarHBondContact O-N 3.49Å; G96-Q126 CarbonylContact C-O 3.49Å; G96-Q126 WeakPolarHBondContact CA-O 3.36Å
97S95.1Very high94.7Very high40 Ų4061.3 Ų61.328%0.2833%0.329SS..G310 helixtrans-58.8-35.5177.251.50000112.4N99 N100 H125 Q126S97-N99 PolarHBondContact O-N 3.05Å; S97-N100 PolarHBondContact O-N 2.86Å; S97-N100 VanDerWaalsContact O-N 3.1Å; S97-H125 WeakPolarHBondContact OG-CA 3.45Å; S97-Q126 PolarHBondContact N-O 2.97Å; S97-Q126 PolarHBondContact OG-N 3.28Å; S97-Q126 VanDerWaalsContact OG-N 3.1Å; S97-Q126 PolarHBondContact OG-O 2.86Å
98F93.9Very high95Very high55 Ų5562.6 Ų62.624%0.24133%0.334CS..G310 helixtrans-63.9-20.9-17953.6-101.5000114.6I94 G96 I105 L118 L120 H125I94-F98 HydrophobicContact CD1-CZ 4.43Å; I94-F98 HydrophobicContact CG1-CZ 4.35Å; G96-F98 PolarHBondContact O-N 3.03Å; F98-I105 HydrophobicContact CE2-CD1 3.83Å; F98-L118 HydrophobicContact CD2-CD1 4.3Å; F98-L118 HydrophobicContact CE1-CD1 4.13Å; F98-L118 HydrophobicContact CE2-CD1 3.59Å; F98-L118 HydrophobicContact CZ-CD1 3.48Å; F98-L118 VanDerWaalsContact CZ-CD1 3.48Å; F98-L120 HydrophobicContact CB-CD2 3.52Å; F98-L120 HydrophobicContact CD1-CD1 4.42Å; F98-L120 HydrophobicContact CD1-CD2 3.67Å; F98-L120 HydrophobicContact CD2-CD2 4.27Å; F98-L120 HydrophobicContact CE1-CD2 4.47Å; F98-L120 HydrophobicContact CG-CD2 3.55Å; F98-H125 HydrophobicContact CD1-CB 4.48Å
99N93.3Very high95.3Very high21 Ų2167.5 Ų67.511%0.11235%0.348CS..G310 helixtrans-120.323.6173.475.6-16.9000112.7G96 S97 W101 S102 T103G96-N99 PolarHBondContact N-OD1 2.85Å; G96-N99 PolarHBondContact O-N 2.76Å; G96-N99 PolarHBondContact O-OD1 2.68Å; S97-N99 PolarHBondContact O-N 3.05Å; N99-W101 PolarHBondContact O-N 3.43Å; N99-W101 VanDerWaalsContact O-N 3.09Å; N99-W101 PolarHBondContact OD1-N 2.83Å; N99-S102 WeakPolarHBondContact O-CB 3.48Å; N99-S102 PolarHBondContact O-N 3.47Å; N99-S102 PolarHBondContact O-OG 2.85Å; N99-T103 PolarHBondContact ND2-O 2.84Å; N99-T103 PolarHBondContact ND2-OG1 3.01Å
100N93.9Very high95.2Very high141 Ų14169.6 Ų69.675%0.75436%0.359SS*.THydrogen-bonded Turntrans51.830.6-178.5-61.2-45.9000113.6G96 S97 S102G96-N100 PolarHBondContact O-N 3.02Å; S97-N100 PolarHBondContact O-N 2.86Å; S97-N100 VanDerWaalsContact O-N 3.1Å; N100-S102 PolarHBondContact O-N 3.49Å
101W94.2Very high94.9Very high102 Ų10270.5 Ų70.539%0.38637%0.365SS..THydrogen-bonded Turntrans54.719.4-176.1-5590.2000114.3S95 G96 N99 Q126 K128 N152S95-W101 WeakPolarHBondContact O-CZ3 3.26Å; G96-W101 PolarHBondContact O-N 3.49Å; N99-W101 PolarHBondContact O-N 3.43Å; N99-W101 VanDerWaalsContact O-N 3.09Å; N99-W101 PolarHBondContact OD1-N 2.83Å; W101-Q126 HydrophobicContact CH2-CB 4.49Å; W101-Q126 HydrophobicContact CZ2-CB 3.89Å; W101-K128 HydrophobicContact CH2-CB 4.15Å; W101-K128 HydrophobicContact CZ3-CB 3.75Å; W101-N152 HydrophobicContact CH2-CB 4.21Å; W101-N152 WeakPolarHBondContact CH2-ND2 3.32Å; W101-N152 WeakPolarHBondContact CZ2-ND2 3.39Å
102S92.1Very high94.6Very high90 Ų9070.4 Ų70.463%0.62937%0.368SS*.  trans-85.8-34.5-168.264.10000113.2N99 N100N99-S102 WeakPolarHBondContact O-CB 3.48Å; N99-S102 PolarHBondContact O-N 3.47Å; N99-S102 PolarHBondContact O-OG 2.85Å; N100-S102 PolarHBondContact O-N 3.49Å
103T94.1Very high94.4Very high80 Ų8071.7 Ų71.749%0.49138%0.375SS..SBendtrans-128.6154.5-175.158.80000111.3S95 N99S95-T103 PolarHBondContact OG-O 2.87Å; N99-T103 PolarHBondContact ND2-O 2.84Å; N99-T103 PolarHBondContact ND2-OG1 3.01Å
104K96.3Very high94.3Very high94 Ų9469.6 Ų69.641%0.40937%0.366SS..  trans-98.9112.6173.5-69.3-179.2-170.9173.40108.2F93 F130F93-K104 HydrophobicContact CB-CB 3.8Å; F93-K104 HydrophobicContact CB-CG 4.44Å; F93-K104 HydrophobicContact CD1-CB 3.93Å; F93-K104 HydrophobicContact CG-CB 4.01Å; K104-F130 HydrophobicContact CD-CB 4.4Å; K104-F130 HydrophobicContact CD-CD1 3.85Å; K104-F130 HydrophobicContact CD-CE1 4.3Å; K104-F130 HydrophobicContact CD-CG 4.08Å
105I97.2Very high94.3Very high46 Ų4671.5 Ų71.524%0.23638%0.377CS..EExtended strand (participates in β ladder)trans-85.9121.3177.9-54.7178.9000107.6F93 I94 F98 L118F93-I105 CarbonylContact C-O 2.99Å; F93-I105 WeakPolarHBondContact CA-O 3.19Å; F93-I105 WeakPolarHBondContact CB-O 3.39Å; I94-I105 HydrophobicContact CG2-CB 3.92Å; I94-I105 PolarHBondContact N-O 2.91Å; I94-I105 PolarHBondContact O-N 2.82Å; F98-I105 HydrophobicContact CE2-CD1 3.83Å; I105-L118 HydrophobicContact CD1-CD1 4.37Å; I105-L118 HydrophobicContact CD1-CD2 3.99Å; I105-L118 HydrophobicContact CG2-CD2 4.35Å
106P97.1Very high94.2Very high84 Ų8471.8 Ų71.855%0.54538%0.38SS..EExtended strand (participates in β ladder)trans-69.6136.7179.627.8-33.3000111F93F93-P106 HydrophobicContact CD1-CB 3.85Å; F93-P106 HydrophobicContact CE1-CB 3.83Å
107L97.6Very high94.2Very high15 Ų1577.3 Ų77.38%0.07941%0.409CS..PPolyproline II helixtrans-85.5146.1171.4-85.467.5000110.6W85 V92 I94 F114 A116 F129W85-L107 HydrophobicContact CB-CD2 4.13Å; V92-L107 HydrophobicContact CB-CB 4.36Å; V92-L107 HydrophobicContact CG1-CB 4.24Å; V92-L107 HydrophobicContact CG1-CD1 4.38Å; V92-L107 HydrophobicContact CG1-CD2 3.88Å; V92-L107 HydrophobicContact CG1-CG 4.37Å; V92-L107 PolarHBondContact O-N 2.92Å; I94-L107 HydrophobicContact CB-CD1 3.65Å; I94-L107 HydrophobicContact CG2-CD1 3.47Å; I94-L107 VanDerWaalsContact CG2-CD1 3.47Å; L107-F114 HydrophobicContact CB-CB 3.82Å; L107-F114 HydrophobicContact CB-CD1 4.25Å; L107-F114 HydrophobicContact CD2-CB 3.8Å; L107-F114 HydrophobicContact CG-CB 4.44Å; L107-A116 HydrophobicContact CD1-CB 4.25Å; L107-A116 HydrophobicContact CG-CB 4Å; L107-F129 HydrophobicContact CD2-CD1 4.27Å; L107-F129 HydrophobicContact CD2-CE1 3.83Å
108I96.3Very high94.2Very high136 Ų13676.5 Ų76.570%0.69740%0.401SS*.EExtended strand (participates in β ladder)trans-82.8121.8176.3-57.1175000108.1S110 F114 V115I108-S110 PolarHBondContact O-N 2.92Å; I108-F114 WeakPolarHBondContact O-CA 3.28Å; I108-V115 PolarHBondContact N-O 2.94Å; I108-V115 PolarHBondContact O-N 2.86Å
109K95.2Very high94.3Very high130 Ų13079.2 Ų79.257%0.56542%0.418SS*.EExtended strand (participates in β ladder)trans-74.8120.7176.5-171.8169.3-173.2162.60110.7G89 F114G89-K109 PolarHBondContact O-NZ 3.22Å; K109-F114 HydrophobicContact CB-CD1 3.84Å; K109-F114 HydrophobicContact CB-CE1 3.55Å; K109-F114 HydrophobicContact CB-CZ 4.12Å; K109-F114 HydrophobicContact CD-CE1 3.81Å; K109-F114 HydrophobicContact CD-CE2 4.28Å; K109-F114 HydrophobicContact CD-CZ 3.53Å; K109-F114 HydrophobicContact CG-CD1 4.21Å; K109-F114 HydrophobicContact CG-CE1 3.72Å; K109-F114 HydrophobicContact CG-CE2 4.24Å; K109-F114 HydrophobicContact CG-CZ 3.74Å
110S89.6Confident94.4Very high71 Ų7178.3 Ų78.350%0.49741%0.413SS..  trans-94-167.2164.4-169.70000110I108 D113I108-S110 PolarHBondContact O-N 2.92Å; S110-D113 WeakPolarHBondContact CA-O 3.34Å; S110-D113 VanDerWaalsContact CB-O 3.26Å; S110-D113 WeakPolarHBondContact CB-O 3.3Å; S110-D113 PolarHBondContact N-O 2.87Å
111H85.1Confident94.4Very high193 Ų19373.5 Ų73.589%0.89439%0.39SS*.SBendtrans-61.6-46.9-179.4-68.5-62.7000112.8
112N87.9Confident94.4Very high125 Ų12573.5 Ų73.567%0.66839%0.394SS*.SBendtrans-121.3-19.4-176.6-154.867000113.4
113D93.7Very high94.6Very high31 Ų3170.6 Ų70.617%0.16638%0.379CS..  trans-124.3155.7-169.9-56.1-9.8000110.5R84 W85 S110 V115R84-D113 WeakPolarHBondContact CD-OD2 3.29Å; R84-D113 HydrophobicContact CG-CB 4.03Å; R84-D113 IonicContact CZ-OD2 2.73Å; R84-D113 IonicContact NE-OD2 3.47Å; R84-D113 IonicContact NH1-OD2 3.77Å; R84-D113 PolarHBondContact NH1-OD2 3.46Å; W85-D113 CarbonylContact O-C 3.02Å; W85-D113 WeakPolarHBondContact O-CA 3.38Å; S110-D113 WeakPolarHBondContact CA-O 3.34Å; S110-D113 VanDerWaalsContact CB-O 3.26Å; S110-D113 WeakPolarHBondContact CB-O 3.3Å; S110-D113 PolarHBondContact N-O 2.87Å; D113-V115 HydrophobicContact CB-CG2 4.48Å
114F97Very high94.6Very high6 Ų672.9 Ų72.93%0.02638%0.384CS..EExtended strand (participates in β ladder)trans-106.2134.5167.4-73.5-98000108.6R84 W85 G89 V92 L107 I108 K109R84-F114 CarbonylContact C-O 3.54Å; R84-F114 WeakPolarHBondContact CA-O 3.12Å; W85-F114 HydrophobicContact CB-CB 4.15Å; W85-F114 PolarHBondContact N-O 3.03Å; W85-F114 PolarHBondContact O-N 2.81Å; G89-F114 VanDerWaalsContact O-CZ 3.28Å; G89-F114 WeakPolarHBondContact O-CZ 3.49Å; V92-F114 HydrophobicContact CB-CB 4.2Å; V92-F114 HydrophobicContact CB-CD1 3.65Å; V92-F114 HydrophobicContact CB-CD2 4.4Å; V92-F114 HydrophobicContact CB-CE1 4Å; V92-F114 HydrophobicContact CB-CG 3.85Å; V92-F114 HydrophobicContact CG1-CB 4.21Å; V92-F114 HydrophobicContact CG1-CG 4.36Å; V92-F114 HydrophobicContact CG2-CB 4.37Å; V92-F114 HydrophobicContact CG2-CD1 3.68Å; V92-F114 HydrophobicContact CG2-CD2 3.7Å; V92-F114 HydrophobicContact CG2-CE1 3.69Å; V92-F114 HydrophobicContact CG2-CE2 3.73Å; V92-F114 HydrophobicContact CG2-CG 3.66Å; V92-F114 HydrophobicContact CG2-CZ 3.7Å; L107-F114 HydrophobicContact CB-CB 3.82Å; L107-F114 HydrophobicContact CB-CD1 4.25Å; L107-F114 HydrophobicContact CD2-CB 3.8Å; L107-F114 HydrophobicContact CG-CB 4.44Å; I108-F114 WeakPolarHBondContact O-CA 3.28Å; K109-F114 HydrophobicContact CB-CD1 3.84Å; K109-F114 HydrophobicContact CB-CE1 3.55Å; K109-F114 HydrophobicContact CB-CZ 4.12Å; K109-F114 HydrophobicContact CD-CE1 3.81Å; K109-F114 HydrophobicContact CD-CE2 4.28Å; K109-F114 HydrophobicContact CD-CZ 3.53Å; K109-F114 HydrophobicContact CG-CD1 4.21Å; K109-F114 HydrophobicContact CG-CE1 3.72Å; K109-F114 HydrophobicContact CG-CE2 4.24Å; K109-F114 HydrophobicContact CG-CZ 3.74Å
115V96.8Very high94.6Very high39 Ų3969.2 Ų69.224%0.23637%0.368CS..EExtended strand (participates in β ladder)trans-134.2142.1-173.8-175.70000111.5V82 I83 R84 I108 D113V82-V115 HydrophobicContact CG1-CG1 3.82Å; I83-V115 WeakPolarHBondContact O-CA 3.28Å; R84-V115 HydrophobicContact CG-CG2 4.1Å; I108-V115 PolarHBondContact N-O 2.94Å; I108-V115 PolarHBondContact O-N 2.86Å; D113-V115 HydrophobicContact CB-CG2 4.48Å
116A96Very high94.6Very high9 Ų969.9 Ų69.97%0.07437%0.37CS..EExtended strand (participates in β ladder)trans-129.4142.6163.400000109.7I83 L107 L118I83-A116 PolarHBondContact N-O 2.88Å; I83-A116 PolarHBondContact O-N 2.82Å; L107-A116 HydrophobicContact CD1-CB 4.25Å; L107-A116 HydrophobicContact CG-CB 4Å; A116-L118 HydrophobicContact CB-CG 4.37Å
117I96.3Very high94.6Very high116 Ų11666.1 Ų66.160%0.59535%0.345SS*.EExtended strand (participates in β ladder)trans-110.8115.4170.1-54.9179.2000106.2P80 T81 V82P80-I117 HydrophobicContact CB-CG2 3.98Å; T81-I117 WeakPolarHBondContact O-CA 3.34Å; V82-I117 HydrophobicContact CG2-CG1 4.35Å
118L95.7Very high94.6Very high23 Ų2366.6 Ų66.612%0.1235%0.346CS..EExtended strand (participates in β ladder)trans-120.7133.5-176.6-59.3179.5000109.6T81 I83 I94 F98 I105 A116 L120T81-L118 WeakPolarHBondContact CB-O 3.34Å; T81-L118 PolarHBondContact N-O 2.85Å; T81-L118 PolarHBondContact O-N 2.84Å; I83-L118 HydrophobicContact CD1-CD1 4.03Å; I94-L118 HydrophobicContact CG2-CD1 4.45Å; F98-L118 HydrophobicContact CD2-CD1 4.3Å; F98-L118 HydrophobicContact CE1-CD1 4.13Å; F98-L118 HydrophobicContact CE2-CD1 3.59Å; F98-L118 HydrophobicContact CZ-CD1 3.48Å; F98-L118 VanDerWaalsContact CZ-CD1 3.48Å; I105-L118 HydrophobicContact CD1-CD1 4.37Å; I105-L118 HydrophobicContact CD1-CD2 3.99Å; I105-L118 HydrophobicContact CG2-CD2 4.35Å; A116-L118 HydrophobicContact CB-CG 4.37Å; L118-L120 HydrophobicContact CB-CD2 4.05Å; L118-L120 HydrophobicContact CB-CG 4.22Å; L118-L120 PolarHBondContact O-N 3.09Å
119D95.4Very high94.7Very high112 Ų11260.1 Ų60.160%0.59931%0.313SS*.EExtended strand (participates in β ladder)trans-77.7108.4172.1-67.7-36.3000109.4A78 R79 P80A78-D119 HydrophobicContact CB-CB 3.85Å; R79-D119 CarbonylContact O-C 3.58Å; R79-D119 WeakPolarHBondContact O-CA 3.38Å; P80-D119 VanDerWaalsContact CA-OD1 3.29Å; P80-D119 WeakPolarHBondContact CA-OD1 3.41Å
120L95.3Very high94.8Very high2 Ų255.5 Ų55.51%0.0129%0.293CS..EExtended strand (participates in β ladder)trans-114.5134.7-178.1-58.2-174.2000110.5A78 R79 T81 F98 L118 H125 I155 V157A78-L120 WeakPolarHBondContact CA-O 3.42Å; R79-L120 PolarHBondContact N-O 3.32Å; R79-L120 PolarHBondContact O-N 3.39Å; T81-L120 HydrophobicContact CG2-CD1 4.06Å; F98-L120 HydrophobicContact CB-CD2 3.52Å; F98-L120 HydrophobicContact CD1-CD1 4.42Å; F98-L120 HydrophobicContact CD1-CD2 3.67Å; F98-L120 HydrophobicContact CD2-CD2 4.27Å; F98-L120 HydrophobicContact CE1-CD2 4.47Å; F98-L120 HydrophobicContact CG-CD2 3.55Å; L118-L120 HydrophobicContact CB-CD2 4.05Å; L118-L120 HydrophobicContact CB-CG 4.22Å; L118-L120 PolarHBondContact O-N 3.09Å; L120-H125 HydrophobicContact CD1-CB 4.4Å; L120-I155 HydrophobicContact CD1-CG2 4.47Å; L120-V157 HydrophobicContact CB-CG2 4.11Å; L120-V157 HydrophobicContact CD1-CG2 4.3Å
121P94.4Very high95.2Very high40 Ų4053 Ų5326%0.2628%0.275SS..  trans-67.7159.417329.4-33.7000111Q76 G123 H125Q76-P121 HydrophobicContact CB-CB 4.19Å; P121-G123 PolarHBondContact O-N 3.36Å; P121-H125 PolarHBondContact O-NE2 2.82Å
122E94.1Very high95.7Very high101 Ų10147.8 Ų47.847%0.47225%0.253SS..SBendtrans-55.9133.8173.9-175.6173.5-169.700111V157 K159E122-V157 WeakPolarHBondContact CA-O 3.26Å; E122-V157 VanDerWaalsContact CG-O 3.3Å; E122-V157 WeakPolarHBondContact CG-O 3.45Å; E122-K159 PolarHBondContact OE1-N 2.96Å
123G94.7Very high96Very high30 Ų3043.7 Ų43.731%0.30924%0.241SC..EExtended strand (participates in β ladder)trans135.3-166.9179.800000113.8P121 V157P121-G123 PolarHBondContact O-N 3.36Å; G123-V157 PolarHBondContact N-O 2.97Å; G123-V157 PolarHBondContact O-N 3.39Å
124E95.9Very high96.1Very high128 Ų12848.6 Ų48.660%0.59826%0.263SS*.EExtended strand (participates in β ladder)trans-90.5127.8-179.2-70.5-171.5176.900111.3L154 H156E124-L154 HydrophobicContact CB-CD1 4.05Å; E124-L154 HydrophobicContact CG-CD1 4.46Å; E124-H156 VanDerWaalsContact CD-NE2 3.27Å; E124-H156 WeakPolarHBondContact CG-CD2 3.38Å; E124-H156 VanDerWaalsContact CG-NE2 3.32Å; E124-H156 WeakPolarHBondContact CG-NE2 3.25Å; E124-H156 IonicContact OE1-CD2 3.9Å; E124-H156 PolarHBondContact OE1-CD2 3.45Å; E124-H156 IonicContact OE1-CE1 2.88Å; E124-H156 IonicContact OE1-NE2 3.75Å; E124-H156 PolarHBondContact OE1-NE2 3.48Å
125H96.3Very high96.1Very high17 Ų1753.6 Ų53.68%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-124.5127.5175.7-61-79.1000110.8S97 F98 L120 P121 I155S97-H125 WeakPolarHBondContact OG-CA 3.45Å; F98-H125 HydrophobicContact CD1-CB 4.48Å; L120-H125 HydrophobicContact CD1-CB 4.4Å; P121-H125 PolarHBondContact O-NE2 2.82Å; H125-I155 HydrophobicContact CB-CG2 3.83Å; H125-I155 PolarHBondContact N-O 3.4Å; H125-I155 PolarHBondContact O-N 3.08Å
126Q96.9Very high96.1Very high59 Ų5954 Ų5428%0.27628%0.284SS..EExtended strand (participates in β ladder)trans-93.6138.3172.9-65.1-176.324.700109.5G96 S97 W101 V144 N152 N153 L154G96-Q126 CarbonylContact C-O 3.49Å; G96-Q126 WeakPolarHBondContact CA-O 3.36Å; S97-Q126 PolarHBondContact N-O 2.97Å; S97-Q126 PolarHBondContact OG-N 3.28Å; S97-Q126 VanDerWaalsContact OG-N 3.1Å; S97-Q126 PolarHBondContact OG-O 2.86Å; W101-Q126 HydrophobicContact CH2-CB 4.49Å; W101-Q126 HydrophobicContact CZ2-CB 3.89Å; Q126-V144 HydrophobicContact CG-CG1 3.72Å; Q126-N152 HydrophobicContact CB-CB 4.32Å; Q126-N152 PolarHBondContact OE1-ND2 3.06Å; Q126-N153 CarbonylContact C-O 3.55Å; Q126-N153 VanDerWaalsContact CA-O 3.29Å; Q126-N153 WeakPolarHBondContact CA-O 3.48Å; Q126-L154 HydrophobicContact CG-CD1 4.15Å
127Y97.3Very high96.1Very high5 Ų556.5 Ų56.52%0.0229%0.294CS..EExtended strand (participates in β ladder)trans-145.8163.6178.769.1-83.8000112I83 I94 S95 F129 N153 I155I83-Y127 HydrophobicContact CG2-CD2 4.29Å; I83-Y127 HydrophobicContact CG2-CE2 3.83Å; I94-Y127 HydrophobicContact CD1-CD2 3.59Å; I94-Y127 HydrophobicContact CD1-CE2 4.33Å; I94-Y127 HydrophobicContact CD1-CG 4.1Å; I94-Y127 HydrophobicContact CG1-CD2 4.18Å; S95-Y127 CarbonylContact O-C 3.29Å; S95-Y127 VanDerWaalsContact O-CA 3.31Å; S95-Y127 WeakPolarHBondContact O-CA 3.4Å; Y127-F129 HydrophobicContact CD2-CE2 4.13Å; Y127-F129 HydrophobicContact CD2-CZ 4.23Å; Y127-F129 HydrophobicContact CE2-CD2 4.41Å; Y127-F129 AromaticContact CE2-CE2 3.55Å; Y127-F129 HydrophobicContact CE2-CE2 3.55Å; Y127-F129 AromaticContact CE2-CZ 3.69Å; Y127-F129 HydrophobicContact CE2-CZ 3.69Å; Y127-N153 HydrophobicContact CD1-CB 3.88Å; Y127-N153 HydrophobicContact CD2-CB 3.98Å; Y127-N153 HydrophobicContact CE1-CB 3.41Å; Y127-N153 VanDerWaalsContact CE1-CB 3.41Å; Y127-N153 HydrophobicContact CE2-CB 3.54Å; Y127-N153 HydrophobicContact CG-CB 4.15Å; Y127-N153 PolarHBondContact N-O 3.36Å; Y127-N153 PolarHBondContact O-N 3.4Å; Y127-I155 HydrophobicContact CD1-CG2 4.05Å; Y127-I155 HydrophobicContact CE1-CB 3.98Å; Y127-I155 HydrophobicContact CE1-CG2 3.99Å
128K97.2Very high96.1Very high25 Ų2551.6 Ų51.611%0.10927%0.269CS..EExtended strand (participates in β ladder)trans-150.1147.4176.7-159169.2-172160.50110.9S95 W101 W135 V136 T150 I151S95-K128 PolarHBondContact N-O 3.1Å; S95-K128 VanDerWaalsContact N-O 3.11Å; S95-K128 PolarHBondContact O-N 2.95Å; W101-K128 HydrophobicContact CH2-CB 4.15Å; W101-K128 HydrophobicContact CZ3-CB 3.75Å; K128-W135 HydrophobicContact CB-CE3 3.96Å; K128-W135 HydrophobicContact CB-CZ3 4.08Å; K128-W135 HydrophobicContact CD-CB 4.24Å; K128-W135 HydrophobicContact CD-CE3 4Å; K128-W135 HydrophobicContact CG-CE3 3.87Å; K128-W135 HydrophobicContact CG-CZ3 4.48Å; K128-V136 WeakPolarHBondContact CG-O 3.44Å; K128-T150 HydrophobicContact CD-CG2 4.49Å; K128-I151 VanDerWaalsContact CE-O 3.28Å; K128-I151 WeakPolarHBondContact CE-O 3.29Å; K128-I151 PolarHBondContact NZ-O 3.36Å
129F98Very high96.1Very high0 Ų055.1 Ų55.10%029%0.293CS..EExtended strand (participates in β ladder)trans-91.6143.2177.4-62.5-79.4000111.3I83 W85 V92 F93 I94 L107 Y127 V131 W135 V136 D138I83-F129 HydrophobicContact CG2-CE1 4.07Å; I83-F129 HydrophobicContact CG2-CZ 3.72Å; W85-F129 HydrophobicContact CB-CD1 4.2Å; W85-F129 HydrophobicContact CB-CE1 3.86Å; W85-F129 HydrophobicContact CB-CZ 4.12Å; W85-F129 HydrophobicContact CD2-CD2 4.37Å; W85-F129 HydrophobicContact CD2-CG 4.28Å; W85-F129 HydrophobicContact CE3-CB 4.31Å; W85-F129 HydrophobicContact CE3-CD1 4.28Å; W85-F129 AromaticContact CE3-CD2 3.43Å; W85-F129 HydrophobicContact CE3-CD2 3.43Å; W85-F129 VanDerWaalsContact CE3-CD2 3.43Å; W85-F129 HydrophobicContact CE3-CE1 4.48Å; W85-F129 AromaticContact CE3-CE2 3.65Å; W85-F129 HydrophobicContact CE3-CE2 3.65Å; W85-F129 AromaticContact CE3-CG 3.75Å; W85-F129 HydrophobicContact CE3-CG 3.75Å; W85-F129 HydrophobicContact CE3-CZ 4.18Å; W85-F129 HydrophobicContact CZ3-CB 4.46Å; W85-F129 AromaticContact CZ3-CD2 3.74Å; W85-F129 HydrophobicContact CZ3-CD2 3.74Å; W85-F129 HydrophobicContact CZ3-CE2 4.24Å; W85-F129 HydrophobicContact CZ3-CG 4.23Å; V92-F129 HydrophobicContact CG1-CD1 4.25Å; F93-F129 CarbonylContact O-C 3.6Å; F93-F129 WeakPolarHBondContact O-CA 3.48Å; I94-F129 HydrophobicContact CB-CD1 4.37Å; I94-F129 HydrophobicContact CD1-CE1 4.13Å; L107-F129 HydrophobicContact CD2-CD1 4.27Å; L107-F129 HydrophobicContact CD2-CE1 3.83Å; Y127-F129 HydrophobicContact CD2-CE2 4.13Å; Y127-F129 HydrophobicContact CD2-CZ 4.23Å; Y127-F129 HydrophobicContact CE2-CD2 4.41Å; Y127-F129 AromaticContact CE2-CE2 3.55Å; Y127-F129 HydrophobicContact CE2-CE2 3.55Å; Y127-F129 AromaticContact CE2-CZ 3.69Å; Y127-F129 HydrophobicContact CE2-CZ 3.69Å; F129-V131 HydrophobicContact CB-CG2 4.03Å; F129-W135 WeakPolarHBondContact O-CA 3.47Å; F129-V136 HydrophobicContact CB-CG2 4.04Å; F129-V136 PolarHBondContact N-O 2.73Å; F129-V136 PolarHBondContact O-N 2.95Å; F129-V136 VanDerWaalsContact O-O 3.08Å; F129-D138 HydrophobicContact CE2-CB 4.01Å
130F97.6Very high96.1Very high34 Ų3454.2 Ų54.215%0.14930%0.296CS..EExtended strand (participates in β ladder)trans-114.9102.2169.3-173.1-97.6000107.9F93 K104 G133 Q134 W135F93-F130 HydrophobicContact CB-CB 4.29Å; F93-F130 HydrophobicContact CD2-CD1 4.02Å; F93-F130 PolarHBondContact N-O 3.21Å; F93-F130 PolarHBondContact O-N 3.1Å; K104-F130 HydrophobicContact CD-CB 4.4Å; K104-F130 HydrophobicContact CD-CD1 3.85Å; K104-F130 HydrophobicContact CD-CE1 4.3Å; K104-F130 HydrophobicContact CD-CG 4.08Å; F130-G133 VanDerWaalsContact CE2-C 3.47Å; F130-G133 VanDerWaalsContact CE2-O 3.31Å; F130-G133 WeakPolarHBondContact CE2-O 3.42Å; F130-G133 WeakPolarHBondContact CZ-O 3.29Å; F130-Q134 CarbonylContact C-O 3.56Å; F130-Q134 WeakPolarHBondContact CA-O 3.31Å; F130-W135 HydrophobicContact CB-CD2 4.35Å; F130-W135 HydrophobicContact CB-CE3 4.04Å; F130-W135 HydrophobicContact CB-CH2 4.25Å; F130-W135 HydrophobicContact CB-CZ3 3.99Å; F130-W135 AromaticContact CD2-CD1 3.94Å; F130-W135 AromaticContact CD2-CD2 3.74Å; F130-W135 HydrophobicContact CD2-CD2 3.74Å; F130-W135 AromaticContact CD2-CE2 3.61Å; F130-W135 HydrophobicContact CD2-CE3 4.29Å; F130-W135 AromaticContact CD2-CG 3.97Å; F130-W135 HydrophobicContact CD2-CG 3.97Å; F130-W135 HydrophobicContact CD2-CZ2 4.09Å; F130-W135 AromaticContact CD2-NE1 3.73Å; F130-W135 AromaticContact CE2-NE1 3.95Å
131V97.3Very high96.1Very high18 Ų1858.3 Ų58.311%0.10932%0.315CS..EExtended strand (participates in β ladder)trans-115.1121.8-172.5-178.80000108.8W85 E91 V92 F129 G133 Q134 V136W85-V131 HydrophobicContact CD2-CG2 4.42Å; W85-V131 HydrophobicContact CZ2-CG2 3.8Å; E91-V131 WeakPolarHBondContact O-CA 3.26Å; V92-V131 HydrophobicContact CG1-CG2 4.06Å; V92-V131 HydrophobicContact CG2-CG1 4.19Å; V92-V131 HydrophobicContact CG2-CG2 4.19Å; F129-V131 HydrophobicContact CB-CG2 4.03Å; V131-G133 PolarHBondContact O-N 3.14Å; V131-Q134 PolarHBondContact N-O 2.95Å; V131-Q134 PolarHBondContact O-N 2.79Å; V131-V136 HydrophobicContact CB-CG2 3.95Å; V131-V136 HydrophobicContact CG2-CG2 3.52Å
132D95.6Very high96.2Very high83 Ų8360 Ų6044%0.44433%0.326SS..THydrogen-bonded Turntrans48.736.4175.1-63.5-19.2000114K90 E91K90-D132 WeakPolarHBondContact CA-OD1 3.4Å; K90-D132 VanDerWaalsContact CB-OD1 3.31Å; K90-D132 WeakPolarHBondContact CB-OD1 3.35Å; K90-D132 PolarHBondContact N-OD1 3.11Å; K90-D132 PolarHBondContact N-OD2 2.88Å; E91-D132 PolarHBondContact N-OD1 2.68Å; E91-D132 PolarHBondContact O-N 3.26Å
133G94.9Very high96.4Very high40 Ų4058.6 Ų58.641%0.41232%0.324SS..THydrogen-bonded Turntrans94.9-3.4178.900000115.7F130 V131F130-G133 VanDerWaalsContact CE2-C 3.47Å; F130-G133 VanDerWaalsContact CE2-O 3.31Å; F130-G133 WeakPolarHBondContact CE2-O 3.42Å; F130-G133 WeakPolarHBondContact CZ-O 3.29Å; V131-G133 PolarHBondContact O-N 3.14Å
134Q96Very high96.5Very high134 Ų13459.3 Ų59.363%0.62632%0.322SS*.EExtended strand (participates in β ladder)trans-119.3142.5-174.8-62.5-61-34.800112.5F130 V131 V136F130-Q134 CarbonylContact C-O 3.56Å; F130-Q134 WeakPolarHBondContact CA-O 3.31Å; V131-Q134 PolarHBondContact N-O 2.95Å; V131-Q134 PolarHBondContact O-N 2.79Å; Q134-V136 HydrophobicContact CB-CG1 4.47Å
135W96.1Very high96.4Very high110 Ų11057.7 Ų57.742%0.41732%0.322SS..EExtended strand (participates in β ladder)trans-84.1114.8173.9-75.3106.7000110.7K128 F129 F130K128-W135 HydrophobicContact CB-CE3 3.96Å; K128-W135 HydrophobicContact CB-CZ3 4.08Å; K128-W135 HydrophobicContact CD-CB 4.24Å; K128-W135 HydrophobicContact CD-CE3 4Å; K128-W135 HydrophobicContact CG-CE3 3.87Å; K128-W135 HydrophobicContact CG-CZ3 4.48Å; F129-W135 WeakPolarHBondContact O-CA 3.47Å; F130-W135 HydrophobicContact CB-CD2 4.35Å; F130-W135 HydrophobicContact CB-CE3 4.04Å; F130-W135 HydrophobicContact CB-CH2 4.25Å; F130-W135 HydrophobicContact CB-CZ3 3.99Å; F130-W135 AromaticContact CD2-CD1 3.94Å; F130-W135 AromaticContact CD2-CD2 3.74Å; F130-W135 HydrophobicContact CD2-CD2 3.74Å; F130-W135 AromaticContact CD2-CE2 3.61Å; F130-W135 HydrophobicContact CD2-CE3 4.29Å; F130-W135 AromaticContact CD2-CG 3.97Å; F130-W135 HydrophobicContact CD2-CG 3.97Å; F130-W135 HydrophobicContact CD2-CZ2 4.09Å; F130-W135 AromaticContact CD2-NE1 3.73Å; F130-W135 AromaticContact CE2-NE1 3.95Å
136V96.8Very high96.1Very high47 Ų4758.7 Ų58.729%0.28533%0.33SS..EExtended strand (participates in β ladder)trans-129.1160.2-178.4-61.40000110.4W85 K128 F129 V131 Q134W85-V136 HydrophobicContact CH2-CB 4.28Å; W85-V136 HydrophobicContact CH2-CG2 3.52Å; W85-V136 HydrophobicContact CZ2-CG2 3.89Å; W85-V136 HydrophobicContact CZ3-CG2 4.17Å; K128-V136 WeakPolarHBondContact CG-O 3.44Å; F129-V136 HydrophobicContact CB-CG2 4.04Å; F129-V136 PolarHBondContact N-O 2.73Å; F129-V136 PolarHBondContact O-N 2.95Å; F129-V136 VanDerWaalsContact O-O 3.08Å; V131-V136 HydrophobicContact CB-CG2 3.95Å; V131-V136 HydrophobicContact CG2-CG2 3.52Å; Q134-V136 HydrophobicContact CB-CG1 4.47Å
137H96.6Very high95.5Very high63 Ų6365.7 Ų65.729%0.29236%0.363SS..  trans-120.1155.9173.969.4-82.7000108.1P139 N153H137-P139 WeakPolarHBondContact O-CD 3.46Å; H137-N153 VanDerWaalsContact CA-OD1 3.29Å; H137-N153 WeakPolarHBondContact CA-OD1 3.42Å; H137-N153 VanDerWaalsContact CB-OD1 3.3Å; H137-N153 WeakPolarHBondContact CB-OD1 3.43Å
138D96.6Very high94.9Very high12 Ų1273.6 Ų73.66%0.06440%0.402CS..  trans-78.3119.6173.4-170.3-32.3000109.4W85 F129 S140 E141 N153W85-D138 HydrophobicContact CE3-CB 4.27Å; W85-D138 HydrophobicContact CZ3-CB 4.09Å; F129-D138 HydrophobicContact CE2-CB 4.01Å; D138-S140 VanDerWaalsContact C-N 3.26Å; D138-S140 PolarHBondContact O-N 2.81Å; D138-S140 WeakPolarHBondContact OD1-CB 3.02Å; D138-S140 PolarHBondContact OD1-N 2.93Å; D138-S140 PolarHBondContact OD1-OG 2.77Å; D138-S140 PolarHBondContact OD2-OG 3.16Å; D138-E141 HydrophobicContact CB-CB 4.27Å; D138-E141 HydrophobicContact CB-CG 4.22Å; D138-N153 PolarHBondContact N-OD1 3.47Å; D138-N153 PolarHBondContact O-ND2 2.91Å
139P95Very high94.5Very high97 Ų9775 Ų7563%0.6342%0.424SS*.THydrogen-bonded Turntrans-72-16.6179.3-17.432.4000114.4H137H137-P139 WeakPolarHBondContact O-CD 3.46Å
140S95Very high94.2Very high94 Ų9477.8 Ų77.866%0.65744%0.441SS*.THydrogen-bonded Turntrans-83-18.8179.970.80000113.2D138D138-S140 VanDerWaalsContact C-N 3.26Å; D138-S140 PolarHBondContact O-N 2.81Å; D138-S140 WeakPolarHBondContact OD1-CB 3.02Å; D138-S140 PolarHBondContact OD1-N 2.93Å; D138-S140 PolarHBondContact OD1-OG 2.77Å; D138-S140 PolarHBondContact OD2-OG 3.16Å
141E96.2Very high94.2Very high87 Ų8779.5 Ų79.541%0.40745%0.451SS..SBendtrans-100.9153.8-178-67.2-63.914900111.8D138D138-E141 HydrophobicContact CB-CB 4.27Å; D138-E141 HydrophobicContact CB-CG 4.22Å
142P96.6Very high94.2Very high76 Ų7679 Ų7949%0.49445%0.448SS..  trans-55.7144.7175.9-24.834.6000112.9N153 L154P142-N153 CarbonylContact O-C 3.54Å; P142-N153 VanDerWaalsContact O-CA 3.3Å; P142-N153 WeakPolarHBondContact O-CA 3.3Å; P142-N153 PolarHBondContact O-ND2 2.96Å; P142-L154 PolarHBondContact O-N 3.16Å
143V97.2Very high94.2Very high72 Ų7275 Ų7544%0.43643%0.427SS..EExtended strand (participates in β ladder)trans-127.3152.4-179.9-64.80000112.5I151 N152V143-I151 HydrophobicContact CB-CG2 3.9Å; V143-I151 HydrophobicContact CG1-CG2 4.11Å; V143-I151 HydrophobicContact CG2-CG2 4.29Å; V143-N152 CarbonylContact C-O 3.6Å; V143-N152 VanDerWaalsContact CA-O 3.26Å; V143-N152 WeakPolarHBondContact CA-O 3.48Å; V143-N152 WeakPolarHBondContact CB-O 3.39Å
144V96.8Very high94.4Very high44 Ų4474.3 Ų74.327%0.26741%0.413SS..EExtended strand (participates in β ladder)trans-130.7142171.965.50000109.9Q126 N152 L154Q126-V144 HydrophobicContact CG-CG1 3.72Å; V144-N152 PolarHBondContact N-O 3Å; V144-N152 PolarHBondContact O-N 3.04Å; V144-L154 HydrophobicContact CB-CB 4.48Å; V144-L154 HydrophobicContact CB-CD2 4.4Å; V144-L154 HydrophobicContact CG1-CB 4.2Å
145T95.5Very high94.4Very high95 Ų9569.6 Ų69.658%0.58339%0.392SS*.EExtended strand (participates in β ladder)trans-91.7117.7174.3-56.10000109.2
146S88.7Confident94.3Very high37 Ų3768.4 Ų68.426%0.25939%0.391SS..  trans-67.7159.2175.7-1780000111.4M148 G149 T150S146-M148 PolarHBondContact O-N 3.26Å; S146-G149 PolarHBondContact O-N 3.38Å; S146-T150 WeakPolarHBondContact CB-O 3.49Å; S146-T150 PolarHBondContact N-O 3.09Å
147Q85.1Confident94.2Very high207 Ų20766.4 Ų66.497%0.96738%0.379SS*.THydrogen-bonded Turntrans-56.9-24.9178.1-62.5178.36.700113G149Q147-G149 VanDerWaalsContact C-N 3.28Å; Q147-G149 PolarHBondContact O-N 2.97Å
148M84.4Confident94Very high170 Ų17068.4 Ų68.484%0.83739%0.386SS*.THydrogen-bonded Turntrans-84.54.2176.9-60.8178.966.800113.6S146 T150S146-M148 PolarHBondContact O-N 3.26Å; M148-T150 VanDerWaalsContact C-N 3.33Å
149G88.8Confident93.7Very high55 Ų5574.4 Ų74.457%0.56741%0.412SS*.SBendtrans84.10.8-178.400000114.8S146 Q147S146-G149 PolarHBondContact O-N 3.38Å; Q147-G149 VanDerWaalsContact C-N 3.28Å; Q147-G149 PolarHBondContact O-N 2.97Å
150T92.4Very high93.4Very high59 Ų5970.9 Ų70.936%0.36239%0.39SS..  trans-78.8129.9179.2-40.50000111K128 S146 M148K128-T150 HydrophobicContact CD-CG2 4.49Å; S146-T150 WeakPolarHBondContact CB-O 3.49Å; S146-T150 PolarHBondContact N-O 3.09Å; M148-T150 VanDerWaalsContact C-N 3.33Å
151I96.3Very high93.1Very high69 Ų6969.8 Ų69.835%0.35438%0.377SS..EExtended strand (participates in β ladder)trans-84.9125.7171.7-55.9173.3000109.1K128 V143K128-I151 VanDerWaalsContact CE-O 3.28Å; K128-I151 WeakPolarHBondContact CE-O 3.29Å; K128-I151 PolarHBondContact NZ-O 3.36Å; V143-I151 HydrophobicContact CB-CG2 3.9Å; V143-I151 HydrophobicContact CG1-CG2 4.11Å; V143-I151 HydrophobicContact CG2-CG2 4.29Å
152N97Very high92.6Very high8 Ų868.8 Ų68.84%0.04337%0.371CS..EExtended strand (participates in β ladder)trans-125.6150.5177.3-62.7-24.9000109.3W101 Q126 V143 V144W101-N152 HydrophobicContact CH2-CB 4.21Å; W101-N152 WeakPolarHBondContact CH2-ND2 3.32Å; W101-N152 WeakPolarHBondContact CZ2-ND2 3.39Å; Q126-N152 HydrophobicContact CB-CB 4.32Å; Q126-N152 PolarHBondContact OE1-ND2 3.06Å; V143-N152 CarbonylContact C-O 3.6Å; V143-N152 VanDerWaalsContact CA-O 3.26Å; V143-N152 WeakPolarHBondContact CA-O 3.48Å; V143-N152 WeakPolarHBondContact CB-O 3.39Å; V144-N152 PolarHBondContact N-O 3Å; V144-N152 PolarHBondContact O-N 3.04Å
153N97.5Very high92.3Very high0 Ų070.9 Ų70.90%037%0.374CS..EExtended strand (participates in β ladder)trans-71.7152.6167.3-68.2107000110.4Q126 Y127 H137 D138 P142Q126-N153 CarbonylContact C-O 3.55Å; Q126-N153 VanDerWaalsContact CA-O 3.29Å; Q126-N153 WeakPolarHBondContact CA-O 3.48Å; Y127-N153 HydrophobicContact CD1-CB 3.88Å; Y127-N153 HydrophobicContact CD2-CB 3.98Å; Y127-N153 HydrophobicContact CE1-CB 3.41Å; Y127-N153 VanDerWaalsContact CE1-CB 3.41Å; Y127-N153 HydrophobicContact CE2-CB 3.54Å; Y127-N153 HydrophobicContact CG-CB 4.15Å; Y127-N153 PolarHBondContact N-O 3.36Å; Y127-N153 PolarHBondContact O-N 3.4Å; H137-N153 VanDerWaalsContact CA-OD1 3.29Å; H137-N153 WeakPolarHBondContact CA-OD1 3.42Å; H137-N153 VanDerWaalsContact CB-OD1 3.3Å; H137-N153 WeakPolarHBondContact CB-OD1 3.43Å; D138-N153 PolarHBondContact N-OD1 3.47Å; D138-N153 PolarHBondContact O-ND2 2.91Å; P142-N153 CarbonylContact O-C 3.54Å; P142-N153 VanDerWaalsContact O-CA 3.3Å; P142-N153 WeakPolarHBondContact O-CA 3.3Å; P142-N153 PolarHBondContact O-ND2 2.96Å
154L97.1Very high92Very high24 Ų2472 Ų7213%0.12638%0.381CS..EExtended strand (participates in β ladder)trans-125.1128.7179.9-179.963.8000109.2E124 Q126 P142 V144 H156E124-L154 HydrophobicContact CB-CD1 4.05Å; E124-L154 HydrophobicContact CG-CD1 4.46Å; Q126-L154 HydrophobicContact CG-CD1 4.15Å; P142-L154 PolarHBondContact O-N 3.16Å; V144-L154 HydrophobicContact CB-CB 4.48Å; V144-L154 HydrophobicContact CB-CD2 4.4Å; V144-L154 HydrophobicContact CG1-CB 4.2Å; L154-H156 VanDerWaalsContact CD2-CE1 3.48Å; L154-H156 WeakPolarHBondContact CD2-CE1 3.2Å
155I96.4Very high91.8Very high35 Ų3578.1 Ų78.118%0.17940%0.404CS..EExtended strand (participates in β ladder)trans-121.8134.7172.2-172.8163.9000110.1T81 L120 H125 Y127T81-I155 HydrophobicContact CG2-CD1 3.51Å; L120-I155 HydrophobicContact CD1-CG2 4.47Å; H125-I155 HydrophobicContact CB-CG2 3.83Å; H125-I155 PolarHBondContact N-O 3.4Å; H125-I155 PolarHBondContact O-N 3.08Å; Y127-I155 HydrophobicContact CD1-CG2 4.05Å; Y127-I155 HydrophobicContact CE1-CB 3.98Å; Y127-I155 HydrophobicContact CE1-CG2 3.99Å
156H95.4Very high91.6Very high85 Ų8577.4 Ų77.439%0.39440%0.397SS..EExtended strand (participates in β ladder)trans-103.3109.3174.8-69.380.2000109.1E124 L154E124-H156 VanDerWaalsContact CD-NE2 3.27Å; E124-H156 WeakPolarHBondContact CG-CD2 3.38Å; E124-H156 VanDerWaalsContact CG-NE2 3.32Å; E124-H156 WeakPolarHBondContact CG-NE2 3.25Å; E124-H156 IonicContact OE1-CD2 3.9Å; E124-H156 PolarHBondContact OE1-CD2 3.45Å; E124-H156 IonicContact OE1-CE1 2.88Å; E124-H156 IonicContact OE1-NE2 3.75Å; E124-H156 PolarHBondContact OE1-NE2 3.48Å; L154-H156 VanDerWaalsContact CD2-CE1 3.48Å; L154-H156 WeakPolarHBondContact CD2-CE1 3.2Å
157V94.9Very high91.8Very high6 Ų676.6 Ų76.64%0.03639%0.393CS..EExtended strand (participates in β ladder)trans-91111.1173.4-179.10000107.3T81 L120 E122 G123 F162T81-V157 HydrophobicContact CG2-CG2 4.18Å; L120-V157 HydrophobicContact CB-CG2 4.11Å; L120-V157 HydrophobicContact CD1-CG2 4.3Å; E122-V157 WeakPolarHBondContact CA-O 3.26Å; E122-V157 VanDerWaalsContact CG-O 3.3Å; E122-V157 WeakPolarHBondContact CG-O 3.45Å; G123-V157 PolarHBondContact N-O 2.97Å; G123-V157 PolarHBondContact O-N 3.39Å; V157-F162 HydrophobicContact CG1-CE2 3.72Å; V157-F162 HydrophobicContact CG1-CZ 3.8Å
158K92Very high92.1Very high104 Ų10471.7 Ų71.745%0.45237%0.372SS..  trans-105158.9179.7-61.2173.8-176.3166.30111S160 D161 F162K158-S160 WeakPolarHBondContact CB-OG 3.33Å; K158-S160 PolarHBondContact O-N 3.33Å; K158-D161 WeakPolarHBondContact CB-OD2 3.34Å; K158-D161 PolarHBondContact N-OD2 2.83Å; K158-D161 PolarHBondContact O-N 3.14Å; K158-F162 WeakPolarHBondContact O-CD2 3.5Å; K158-F162 VanDerWaalsContact O-CE2 3.28Å; K158-F162 WeakPolarHBondContact O-CE2 3.19Å
159K89.5Confident92.4Very high138 Ų13870 Ų7060%0.636%0.36SS*.G310 helixtrans-57.4-35.8172.3-169.5178.3178.5-174.10113.3R79 E122 D161R79-K159 PolarHBondContact NH1-O 2.8Å; E122-K159 PolarHBondContact OE1-N 2.96Å; K159-D161 VanDerWaalsContact C-N 3.26Å; K159-D161 PolarHBondContact O-N 3.06Å
160S88.6Confident92.3Very high24 Ų2469.9 Ų69.917%0.16835%0.349CS..G310 helixtrans-64-25.5-177.748.30000114.3K158 F162 A167K158-S160 WeakPolarHBondContact CB-OG 3.33Å; K158-S160 PolarHBondContact O-N 3.33Å; S160-F162 PolarHBondContact O-N 3Å; S160-A167 PolarHBondContact O-N 3.22Å; S160-A167 VanDerWaalsContact O-N 3.14Å
161D89Confident92.2Very high71 Ų7171.3 Ų71.338%0.3835%0.354SS..G310 helixtrans-74.8-4.3-167.8-52.6-20.4000112.9K158 K159K158-D161 WeakPolarHBondContact CB-OD2 3.34Å; K158-D161 PolarHBondContact N-OD2 2.83Å; K158-D161 PolarHBondContact O-N 3.14Å; K159-D161 VanDerWaalsContact C-N 3.26Å; K159-D161 PolarHBondContact O-N 3.06Å
162F85.4Confident91.8Very high65 Ų6570.9 Ų70.929%0.28536%0.357SS..THydrogen-bonded Turntrans-110.6-32.2-173.7-63-86.8000112.8R79 V157 K158 S160 V164R79-F162 HydrophobicContact CB-CD1 3.87Å; R79-F162 HydrophobicContact CB-CE1 3.15Å; R79-F162 HydrophobicContact CB-CE2 3.88Å; R79-F162 HydrophobicContact CB-CZ 3.13Å; R79-F162 HydrophobicContact CG-CD1 4.41Å; R79-F162 HydrophobicContact CG-CE1 4.06Å; R79-F162 HydrophobicContact CG-CE2 4.14Å; R79-F162 HydrophobicContact CG-CZ 3.89Å; R79-F162 VanDerWaalsContact NH1-CG 3.33Å; V157-F162 HydrophobicContact CG1-CE2 3.72Å; V157-F162 HydrophobicContact CG1-CZ 3.8Å; K158-F162 WeakPolarHBondContact O-CD2 3.5Å; K158-F162 VanDerWaalsContact O-CE2 3.28Å; K158-F162 WeakPolarHBondContact O-CE2 3.19Å; S160-F162 PolarHBondContact O-N 3Å; F162-V164 PolarHBondContact O-N 3.32Å
163E90.9Very high91.2Very high120 Ų12075.2 Ų75.256%0.56138%0.38SS*.SBendtrans-84.2110.7172-70.8-59.5157.900108F165 D166 A167E163-F165 PolarHBondContact O-N 3.35Å; E163-F165 VanDerWaalsContact O-N 3.07Å; E163-D166 HydrophobicContact CB-CB 4Å; E163-D166 WeakPolarHBondContact O-CA 3.41Å; E163-D166 PolarHBondContact O-N 3.27Å; E163-A167 PolarHBondContact O-N 3.18Å
164V91.4Very high90.4Very high96 Ų9681.9 Ų81.958%0.58241%0.411SS*.Hα-helixtrans-53.2-38.9-171.3177.50000112.1F162 L168F162-V164 PolarHBondContact O-N 3.32Å; V164-L168 HydrophobicContact CG1-CD1 3.93Å; V164-L168 HydrophobicContact CG1-CG 4.4Å; V164-L168 WeakPolarHBondContact O-CB 3.28Å; V164-L168 WeakPolarHBondContact O-CG 3.33Å; V164-L168 PolarHBondContact O-N 3.41Å
165F91.8Very high89.4Confident173 Ų17384.4 Ų84.476%0.75943%0.43SS*.Hα-helixtrans-70.5-34.7178.5-64.3-64.9000113.2E163 K169E163-F165 PolarHBondContact O-N 3.35Å; E163-F165 VanDerWaalsContact O-N 3.07Å; F165-K169 VanDerWaalsContact O-CB 3.29Å; F165-K169 WeakPolarHBondContact O-CB 3.49Å; F165-K169 PolarHBondContact O-N 3.43Å
166D92.1Very high88Confident80 Ų8084.3 Ų84.343%0.42843%0.433SS..Hα-helixtrans-73.8-42.4177.9-70.8-20.9000110.6E163 K169 V170E163-D166 HydrophobicContact CB-CB 4Å; E163-D166 WeakPolarHBondContact O-CA 3.41Å; E163-D166 PolarHBondContact O-N 3.27Å; D166-K169 WeakPolarHBondContact O-CB 3.3Å; D166-K169 PolarHBondContact O-N 2.96Å; D166-V170 WeakPolarHBondContact O-CG2 3.4Å; D166-V170 PolarHBondContact O-N 2.63Å
167A92.1Very high86.2Confident20 Ų2088.5 Ų88.517%0.16545%0.453CS..Hα-helixtrans-57.7-52.7173.600000111S160 E163 K169 V170 D171S160-A167 PolarHBondContact O-N 3.22Å; S160-A167 VanDerWaalsContact O-N 3.14Å; E163-A167 PolarHBondContact O-N 3.18Å; A167-K169 PolarHBondContact O-N 2.9Å; A167-V170 PolarHBondContact O-N 3.32Å; A167-V170 VanDerWaalsContact O-N 3.09Å; A167-D171 PolarHBondContact O-N 2.53Å
168L91.7Very high84.3Confident103 Ų10394.3 Ų94.354%0.53949%0.488SS..Hα-helixtrans-59.7-34.7177.9-73.8173.3000112.7V164 S172V164-L168 HydrophobicContact CG1-CD1 3.93Å; V164-L168 HydrophobicContact CG1-CG 4.4Å; V164-L168 WeakPolarHBondContact O-CB 3.28Å; V164-L168 WeakPolarHBondContact O-CG 3.33Å; V164-L168 PolarHBondContact O-N 3.41Å; L168-S172 VanDerWaalsContact O-CB 3.28Å; L168-S172 WeakPolarHBondContact O-CB 3.23Å; L168-S172 PolarHBondContact O-N 2.79Å; L168-S172 PolarHBondContact O-OG 2.98Å
169K89.3Confident82.3Confident135 Ų13592.7 Ų92.759%0.58749%0.49SS*.Hα-helixtrans-66.2-45.7176.3-178.3179.7176.9-175.50111F165 D166 A167 S172 L173F165-K169 VanDerWaalsContact O-CB 3.29Å; F165-K169 WeakPolarHBondContact O-CB 3.49Å; F165-K169 PolarHBondContact O-N 3.43Å; D166-K169 WeakPolarHBondContact O-CB 3.3Å; D166-K169 PolarHBondContact O-N 2.96Å; A167-K169 PolarHBondContact O-N 2.9Å; K169-S172 PolarHBondContact O-N 3.13Å; K169-S172 PolarHBondContact O-OG 3.18Å; K169-L173 WeakPolarHBondContact O-CG 3.45Å; K169-L173 PolarHBondContact O-N 3.21Å
170V88.6Confident80.5Confident53 Ų5389.2 Ų89.232%0.32149%0.494SS..Hα-helixtrans-61.1-48.2177.1173.50000110.5D166 A167 S172 L173 E174D166-V170 WeakPolarHBondContact O-CG2 3.4Å; D166-V170 PolarHBondContact O-N 2.63Å; A167-V170 PolarHBondContact O-N 3.32Å; A167-V170 VanDerWaalsContact O-N 3.09Å; V170-S172 VanDerWaalsContact C-N 3.29Å; V170-S172 PolarHBondContact O-N 2.71Å; V170-L173 PolarHBondContact O-N 3.09Å; V170-L173 VanDerWaalsContact O-N 3.09Å; V170-E174 PolarHBondContact O-N 3.11Å; V170-E174 VanDerWaalsContact O-N 3.11Å
171D88.6Confident78.8Confident88 Ų8896.3 Ų96.347%0.47152%0.517SS..Hα-helixtrans-61.7-37.6179.8-65.1-8.7000112.3A167 L173 E174 S175A167-D171 PolarHBondContact O-N 2.53Å; D171-L173 VanDerWaalsContact C-N 3.3Å; D171-L173 PolarHBondContact O-N 2.94Å; D171-E174 PolarHBondContact O-N 3.39Å; D171-S175 WeakPolarHBondContact O-CB 3.45Å; D171-S175 PolarHBondContact O-N 3.08Å; D171-S175 VanDerWaalsContact O-N 3.08Å; D171-S175 PolarHBondContact O-OG 3.06Å
172S88.3Confident77.1Confident60 Ų6098.3 Ų98.342%0.4253%0.528SS..Hα-helixtrans-65.6-34.2177.475.10000112.6L168 K169 V170 S176L168-S172 VanDerWaalsContact O-CB 3.28Å; L168-S172 WeakPolarHBondContact O-CB 3.23Å; L168-S172 PolarHBondContact O-N 2.79Å; L168-S172 PolarHBondContact O-OG 2.98Å; K169-S172 PolarHBondContact O-N 3.13Å; K169-S172 PolarHBondContact O-OG 3.18Å; V170-S172 VanDerWaalsContact C-N 3.29Å; V170-S172 PolarHBondContact O-N 2.71Å; S172-S176 WeakPolarHBondContact O-CB 3.46Å; S172-S176 PolarHBondContact O-N 3.29Å
173L84.3Confident75.5Confident99 Ų99101.7 Ų101.752%0.51855%0.548SS..Hα-helixtrans-73.2-43.3178.5-68.2171.8000110.9K169 V170 D171 S175 S176 E177K169-L173 WeakPolarHBondContact O-CG 3.45Å; K169-L173 PolarHBondContact O-N 3.21Å; V170-L173 PolarHBondContact O-N 3.09Å; V170-L173 VanDerWaalsContact O-N 3.09Å; D171-L173 VanDerWaalsContact C-N 3.3Å; D171-L173 PolarHBondContact O-N 2.94Å; L173-S175 VanDerWaalsContact C-N 3.3Å; L173-S175 PolarHBondContact O-N 3.3Å; L173-S176 WeakPolarHBondContact CA-OG 3.42Å; L173-S176 WeakPolarHBondContact O-CA 3.5Å; L173-S176 PolarHBondContact O-N 3.09Å; L173-S176 PolarHBondContact O-OG 3.07Å; L173-E177 PolarHBondContact O-N 2.73Å; L173-E177 VanDerWaalsContact O-N 3.13Å
174E82Confident73.8Confident140 Ų140102 Ų10265%0.65456%0.563SS**Hα-helixtrans-60.7-40.4176.6-171.4173.5-178.300111.7V170 D171 S176V170-E174 PolarHBondContact O-N 3.11Å; V170-E174 VanDerWaalsContact O-N 3.11Å; D171-E174 PolarHBondContact O-N 3.39Å; E174-S176 VanDerWaalsContact C-N 3.26Å; E174-S176 PolarHBondContact O-N 3.21Å
175S75.4Confident72.1Confident77 Ų7799.4 Ų99.454%0.53855%0.549SS..Hα-helixtrans-65.2-29.8173.7-59.20000112.8D171 L173 T178 S179D171-S175 WeakPolarHBondContact O-CB 3.45Å; D171-S175 PolarHBondContact O-N 3.08Å; D171-S175 VanDerWaalsContact O-N 3.08Å; D171-S175 PolarHBondContact O-OG 3.06Å; L173-S175 VanDerWaalsContact C-N 3.3Å; L173-S175 PolarHBondContact O-N 3.3Å; S175-T178 PolarHBondContact O-OG1 3Å; S175-T178 VanDerWaalsContact O-OG1 3.06Å; S175-S179 PolarHBondContact O-OG 3.11Å
176S65.7Low71.2Confident34 Ų3496.7 Ų96.724%0.23855%0.552CS.*Hα-helixtrans-82.6-23.7-17776.10000114.2S172 L173 E174 T178 S179 G180S172-S176 WeakPolarHBondContact O-CB 3.46Å; S172-S176 PolarHBondContact O-N 3.29Å; L173-S176 WeakPolarHBondContact CA-OG 3.42Å; L173-S176 WeakPolarHBondContact O-CA 3.5Å; L173-S176 PolarHBondContact O-N 3.09Å; L173-S176 PolarHBondContact O-OG 3.07Å; E174-S176 VanDerWaalsContact C-N 3.26Å; E174-S176 PolarHBondContact O-N 3.21Å; S176-T178 VanDerWaalsContact C-N 3.28Å; S176-T178 PolarHBondContact O-N 3.39Å; S176-S179 CarbonylContact O-C 3.59Å; S176-S179 WeakPolarHBondContact O-CA 3.36Å; S176-S179 PolarHBondContact O-N 3.09Å; S176-S179 VanDerWaalsContact O-O 3.07Å; S176-G180 PolarHBondContact O-N 3.06Å
177E58.3Low70.3Confident173 Ų17396.5 Ų96.581%0.80856%0.555SS**Hα-helixtrans-67.1-31177.7-68.5-158.6154.400112.3L173 S179L173-E177 PolarHBondContact O-N 2.73Å; L173-E177 VanDerWaalsContact O-N 3.13Å; E177-S179 VanDerWaalsContact C-N 3.29Å
178T54.9Low69.2Low127 Ų12799.4 Ų99.478%0.77957%0.572SS**SBendtrans-78.7-17.7171.664.50000112.8S175 S176S175-T178 PolarHBondContact O-OG1 3Å; S175-T178 VanDerWaalsContact O-OG1 3.06Å; S176-T178 VanDerWaalsContact C-N 3.28Å; S176-T178 PolarHBondContact O-N 3.39Å
179S51.2Low68.3Low70 Ų7095 Ų9549%0.4955%0.552SS.*SBendtrans-120.559.1-173.5-47.80000109.6S175 S176 E177 R181S175-S179 PolarHBondContact O-OG 3.11Å; S176-S179 CarbonylContact O-C 3.59Å; S176-S179 WeakPolarHBondContact O-CA 3.36Å; S176-S179 PolarHBondContact O-N 3.09Å; S176-S179 VanDerWaalsContact O-O 3.07Å; E177-S179 VanDerWaalsContact C-N 3.29Å; S179-R181 PolarHBondContact O-N 3.12Å
180G50.7Low67.9Low66 Ų6694.3 Ų94.368%0.6856%0.561SS**  trans-50.8102.1-176.500000112.8S176S176-G180 PolarHBondContact O-N 3.06Å
181R53Low67.7Low173 Ų173101.2 Ų101.265%0.65358%0.582SS**SBendtrans162.9122.1149.3-95.7165.6-177.5-156.2-1.1112S179 L183S179-R181 PolarHBondContact O-N 3.12Å; R181-L183 PolarHBondContact O-N 3.24Å
182D52.7Low67.5Low113 Ų113100 Ų10060%0.60459%0.591SS**  trans23.671.5138.4-55.6-35.7000116.5S184D182-S184 PolarHBondContact O-N 2.91Å
183L52.1Low67.5Low136 Ų136106.7 Ų106.771%0.71262%0.616SS**THydrogen-bonded Turntrans-72.913.9178-64.7177.3000114.4R181R181-L183 PolarHBondContact O-N 3.24Å
184S56.1Low67.6Low125 Ų125110.7 Ų110.787%0.87463%0.632SS**THydrogen-bonded Turntrans-97.5-13.2-177.3-163.20000113.7D182D182-S184 PolarHBondContact O-N 2.91Å
185S56.1Low67.6Low42 Ų42112.4 Ų112.429%0.29464%0.642SS.*SBendtrans-117.5133.5178.366.10000111.8P187 P188 G189S185-P187 VanDerWaalsContact C-C 3.49Å; S185-P187 CarbonylContact C-O 3.55Å; S185-P187 VanDerWaalsContact C-O 3.29Å; S185-P187 WeakPolarHBondContact CB-O 3.35Å; S185-P187 CarbonylContact O-C 3.55Å; S185-P187 VanDerWaalsContact O-O 3.1Å; S185-P187 PolarHBondContact OG-O 2.88Å; S185-P188 VanDerWaalsContact O-CA 3.25Å; S185-P188 WeakPolarHBondContact O-CA 3.28Å; S185-G189 PolarHBondContact OG-N 2.6Å; S185-G189 PolarHBondContact OG-O 3.37Å
186S71.2Confident67.9Low116 Ų116116.6 Ų116.681%0.81165%0.647SS**SBendtrans-105.6111.1159.9-170.50000107.1
187P72.9Confident68.6Low76 Ų76120.7 Ų120.749%0.49467%0.67SS.*SBendcis-77.1154.72.731.2-33.4000113.8S185 G189S185-P187 VanDerWaalsContact C-C 3.49Å; S185-P187 CarbonylContact C-O 3.55Å; S185-P187 VanDerWaalsContact C-O 3.29Å; S185-P187 WeakPolarHBondContact CB-O 3.35Å; S185-P187 CarbonylContact O-C 3.55Å; S185-P187 VanDerWaalsContact O-O 3.1Å; S185-P187 PolarHBondContact OG-O 2.88Å; P187-G189 PolarHBondContact O-N 3.07Å
188P69.6Low69.4Low82 Ų82118.8 Ų118.853%0.53266%0.657SS.*SBendtrans-62.6132.2177.8-23.533.7000112.2S185S185-P188 VanDerWaalsContact O-CA 3.25Å; S185-P188 WeakPolarHBondContact O-CA 3.28Å
189G73.6Confident70.5Confident10 Ų10120.2 Ų120.210%0.10365%0.648CS.*SBendtrans96.9175.1178.600000114.5S185 P187S185-G189 PolarHBondContact OG-N 2.6Å; S185-G189 PolarHBondContact OG-O 3.37Å; P187-G189 PolarHBondContact O-N 3.07Å
190P81.6Confident71.5Confident120 Ų120120.5 Ų120.578%0.77965%0.648SS**  trans-69.3146.6-177.828.7-34.5000111.7G192P190-G192 PolarHBondContact O-N 3.12Å
191Y83.5Confident72.6Confident198 Ų198124.4 Ų124.478%0.77665%0.648SS**  trans-64.3127.8167.8-71.8-87.3000109.6
192G84.3Confident73.5Confident64 Ų64119 Ų11966%0.6663%0.63SS**  trans-131.4164.5178.200000111.8P190P190-G192 PolarHBondContact O-N 3.12Å
193Q88.8Confident74Confident200 Ų200121.5 Ų121.594%0.93563%0.632SS**  trans-101.51.8174.3-66.2-179.9-25.400112.7M195Q193-M195 PolarHBondContact O-N 3.02Å
194E86.3Confident74.5Confident183 Ų183123.8 Ų123.886%0.85564%0.636SS**PPolyproline II helixtrans-57.1129176.3-65.7-86.3153.300109.8Y196E194-Y196 PolarHBondContact O-N 3.04Å
195M81.9Confident75.6Confident175 Ų175126.4 Ų126.486%0.86263%0.632SS**PPolyproline II helixtrans-64.5136.8174.4-72.7-175.5177.200109.7Q193 V197Q193-M195 PolarHBondContact O-N 3.02Å; M195-V197 PolarHBondContact O-N 3.17Å; M195-V197 VanDerWaalsContact O-N 3.12Å
196Y81.6Confident77Confident166 Ų166129.5 Ų129.565%0.65165%0.653SS**PPolyproline II helixtrans-61.7116.9174.8-172.4-100.1000110.6E194 Y198 E202E194-Y196 PolarHBondContact O-N 3.04Å; Y196-Y198 PolarHBondContact O-N 3.32Å; Y196-E202 WeakPolarHBondContact CE1-OE2 3.29Å; Y196-E202 PolarHBondContact OH-OE1 3.41Å; Y196-E202 PolarHBondContact OH-OE2 3.23Å
197V81.2Confident77.9Confident120 Ų120129.3 Ų129.373%0.72765%0.649SS**  trans-83109.5174.9-177.30000108.5M195 R199M195-V197 PolarHBondContact O-N 3.17Å; M195-V197 VanDerWaalsContact O-N 3.12Å; V197-R199 PolarHBondContact O-N 3.13Å
198Y74.4Confident78.9Confident132 Ų132131.7 Ų131.752%0.51867%0.665SS.*  trans-61123.8179.2-173.3-101.6000111.9Y196 R203Y196-Y198 PolarHBondContact O-N 3.32Å; Y198-R203 HydrophobicContact CE1-CG 3.53Å; Y198-R203 VanDerWaalsContact OH-CA 3.26Å; Y198-R203 WeakPolarHBondContact OH-CA 3.46Å; Y198-R203 WeakPolarHBondContact OH-CG 3.25Å
199R77.3Confident80.2Confident158 Ų158135.3 Ų135.360%0.59668%0.678SS**  trans-92.5131.6176.6-72.1-173.9169.1157.8-2.7111V197 E201 E202V197-R199 PolarHBondContact O-N 3.13Å; R199-E201 PolarHBondContact O-N 3.14Å; R199-E201 VanDerWaalsContact O-N 3.09Å; R199-E202 HydrophobicContact CB-CG 4.2Å; R199-E202 WeakPolarHBondContact O-CB 3.41Å; R199-E202 PolarHBondContact O-N 3.42Å
200P72.1Confident81.3Confident76 Ų76139.8 Ų139.849%0.49470%0.699SS.*G310 helixtrans-54.8-27.8178.4-26.435000114.4E202 R203P200-E202 PolarHBondContact O-N 3.31Å; P200-R203 VanDerWaalsContact O-CB 3.25Å; P200-R203 WeakPolarHBondContact O-CB 3.49Å; P200-R203 PolarHBondContact O-N 3.37Å
201E74.3Confident82Confident147 Ų147137 Ų13769%0.68768%0.681SS**G310 helixtrans-69.7-20.4178.4-60.569.5-147.300112.6R199 R203R199-E201 PolarHBondContact O-N 3.14Å; R199-E201 VanDerWaalsContact O-N 3.09Å; E201-R203 VanDerWaalsContact C-N 3.33Å
202E71.3Confident82.7Confident59 Ų59131.8 Ų131.828%0.27667%0.671SS.*G310 helixtrans-89.7-0.5178.3-64.6168.4-175.100112.5Y196 R199 P200 F204 K205Y196-E202 WeakPolarHBondContact CE1-OE2 3.29Å; Y196-E202 PolarHBondContact OH-OE1 3.41Å; Y196-E202 PolarHBondContact OH-OE2 3.23Å; R199-E202 HydrophobicContact CB-CG 4.2Å; R199-E202 WeakPolarHBondContact O-CB 3.41Å; R199-E202 PolarHBondContact O-N 3.42Å; P200-E202 PolarHBondContact O-N 3.31Å; E202-F204 PolarHBondContact O-N 3.16Å; E202-K205 PolarHBondContact O-N 3.4Å
203R63Low83.3Confident166 Ų166132.8 Ų132.863%0.62666%0.658SS**THydrogen-bonded Turntrans-54.8-22.2-175.7-95.7-174.1170.6153.60.8116.3Y198 P200 E201Y198-R203 HydrophobicContact CE1-CG 3.53Å; Y198-R203 VanDerWaalsContact OH-CA 3.26Å; Y198-R203 WeakPolarHBondContact OH-CA 3.46Å; Y198-R203 WeakPolarHBondContact OH-CG 3.25Å; P200-R203 VanDerWaalsContact O-CB 3.25Å; P200-R203 WeakPolarHBondContact O-CB 3.49Å; P200-R203 PolarHBondContact O-N 3.37Å; E201-R203 VanDerWaalsContact C-N 3.33Å
204F63.8Low83.7Confident184 Ų184124.7 Ų124.781%0.80762%0.622SS**THydrogen-bonded Turntrans-109.88.2-166.7-57.1-73.9000113.9E202E202-F204 PolarHBondContact O-N 3.16Å
205K79.8Confident84.2Confident181 Ų181121.8 Ų121.879%0.78761%0.611SS**  trans-94.9101.9175.4-62.3-170.7-178.4-176.50109.7E202E202-K205 PolarHBondContact O-N 3.4Å
206S84.9Confident84.7Confident106 Ų106118 Ų11874%0.74159%0.592SS**PPolyproline II helixtrans-62146.4167.554.40000110.1
207P89.8Confident85.3Confident112 Ų112111.7 Ų111.773%0.72757%0.57SS**PPolyproline II helixtrans-53.3149.4171-24.733.9000111.4
208P93.6Very high86Confident126 Ų126106.1 Ų106.182%0.81854%0.536SS*.PPolyproline II helixtrans-61.6145.8176.726.8-34.2000110.8
209I96.7Very high87Confident159 Ų159102.8 Ų102.882%0.81553%0.527SS*.PPolyproline II helixtrans-65.5137.3175.6-59.2170.2000108.9P211I209-P211 WeakPolarHBondContact O-CD 3.4Å
210L96.6Very high87.9Confident104 Ų104101 Ų10155%0.54553%0.529SS..PPolyproline II helixtrans-58.6121.9177.1179.266.8000110.6L214 L215L210-L214 HydrophobicContact CD1-CB 4.38Å; L210-L214 HydrophobicContact CD1-CD1 3.95Å; L210-L215 HydrophobicContact CD2-CD2 3.76Å; L210-L215 HydrophobicContact CD2-CG 4.31Å
211P97.4Very high88.8Confident62 Ų62101.9 Ų101.940%0.40353%0.525SS..PPolyproline II helixtrans-62127.5175.3-24.134.9000111I209 H213 L214I209-P211 WeakPolarHBondContact O-CD 3.4Å; P211-H213 PolarHBondContact O-N 3.14Å; P211-L214 PolarHBondContact O-N 3.45Å; P211-L214 VanDerWaalsContact O-N 3.09Å
212P97.3Very high89.6Confident87 Ų87102.8 Ų102.857%0.56554%0.535SS*.G310 helixtrans-64.3-19.8-174.124.9-35000113.5L214 L215P212-L214 PolarHBondContact O-N 3.1Å; P212-L215 WeakPolarHBondContact O-CB 3.49Å; P212-L215 PolarHBondContact O-N 3.38Å
213H96.8Very high90.5Very high85 Ų85103 Ų10339%0.39454%0.54SS..G310 helixtrans-58.5-32.6174.6-61.794.1000112.9P211 L215 Q216P211-H213 PolarHBondContact O-N 3.14Å; H213-L215 PolarHBondContact O-N 3.11Å; H213-Q216 PolarHBondContact O-N 3.45Å
214L97.2Very high91.8Very high31 Ų31100 Ų10016%0.16254%0.537CS..G310 helixtrans-73.1-11.4178.7-60.2-176.3000112.9L210 P211 P212 Q216 M239 H242 Y244L210-L214 HydrophobicContact CD1-CB 4.38Å; L210-L214 HydrophobicContact CD1-CD1 3.95Å; P211-L214 PolarHBondContact O-N 3.45Å; P211-L214 VanDerWaalsContact O-N 3.09Å; P212-L214 PolarHBondContact O-N 3.1Å; L214-Q216 VanDerWaalsContact C-N 3.33Å; L214-M239 HydrophobicContact CD2-CB 4.46Å; L214-H242 HydrophobicContact CD2-CB 4.46Å; L214-Y244 WeakPolarHBondContact O-CE1 3.47Å; L214-Y244 PolarHBondContact O-OH 2.91Å
215L96.5Very high93Very high121 Ų12199.5 Ų99.563%0.63454%0.54SS*.G310 helixtrans-83.9-12.3174.4-58174.7000112.2L210 P212 H213 V217L210-L215 HydrophobicContact CD2-CD2 3.76Å; L210-L215 HydrophobicContact CD2-CG 4.31Å; P212-L215 WeakPolarHBondContact O-CB 3.49Å; P212-L215 PolarHBondContact O-N 3.38Å; H213-L215 PolarHBondContact O-N 3.11Å; L215-V217 VanDerWaalsContact C-N 3.33Å; L215-V217 PolarHBondContact O-N 3.26Å; L215-V217 VanDerWaalsContact O-N 3.08Å
216Q93.8Very high93.7Very high97 Ų9795.7 Ų95.745%0.45354%0.537SS..  trans-86.966.1-177.3-60.8-176.56.200111.8H213 L214 I218 M239H213-Q216 PolarHBondContact O-N 3.45Å; L214-Q216 VanDerWaalsContact C-N 3.33Å; Q216-I218 PolarHBondContact O-N 2.75Å; Q216-M239 WeakPolarHBondContact O-CE 2.95Å
217V94.7Very high94Very high32 Ų3293 Ų9319%0.19452%0.517CS..  trans-59.8120.3-176-171.90000111.6L215 L219 N220 Y244L215-V217 VanDerWaalsContact C-N 3.33Å; L215-V217 PolarHBondContact O-N 3.26Å; L215-V217 VanDerWaalsContact O-N 3.08Å; V217-L219 VanDerWaalsContact C-N 3.31Å; V217-L219 HydrophobicContact CG1-CB 4.38Å; V217-L219 PolarHBondContact O-N 2.98Å; V217-N220 HydrophobicContact CB-CB 4.12Å; V217-N220 HydrophobicContact CG1-CB 4.45Å; V217-N220 PolarHBondContact O-N 2.63Å; V217-N220 VanDerWaalsContact O-N 3.16Å; V217-Y244 HydrophobicContact CB-CD1 4.43Å; V217-Y244 HydrophobicContact CB-CE1 4.43Å; V217-Y244 HydrophobicContact CG1-CD1 4.05Å; V217-Y244 HydrophobicContact CG1-CE1 4.44Å; V217-Y244 HydrophobicContact CG1-CG 4.41Å; V217-Y244 HydrophobicContact CG2-CD1 3.78Å; V217-Y244 HydrophobicContact CG2-CE1 3.76Å
218I95.3Very high94.2Very high4 Ų492.1 Ų92.12%0.02151%0.506CS..G310 helixtrans-63.5-34.8-177.1-171.6166.1000113.3Q216 N220 K221 L232 P233 P235 M239Q216-I218 PolarHBondContact O-N 2.75Å; I218-N220 PolarHBondContact O-N 2.7Å; I218-K221 PolarHBondContact O-N 3.06Å; I218-L232 HydrophobicContact CD1-CB 4.03Å; I218-L232 HydrophobicContact CD1-CD1 4.49Å; I218-L232 HydrophobicContact CG1-CB 4.34Å; I218-P233 HydrophobicContact CD1-CG 4.3Å; I218-P233 WeakPolarHBondContact CD1-O 3.43Å; I218-P233 HydrophobicContact CG1-CG 4.03Å; I218-P235 HydrophobicContact CD1-CB 3.94Å; I218-M239 HydrophobicContact CB-CE 4.5Å; I218-M239 HydrophobicContact CB-SD 4.27Å; I218-M239 HydrophobicContact CG2-SD 4.49Å
219L95.5Very high94.2Very high62 Ų6291.8 Ų91.833%0.32550%0.504SS..G310 helixtrans-74.2-14.1179.1-65.2176.2000113.3V217 L232 T267 L269V217-L219 VanDerWaalsContact C-N 3.31Å; V217-L219 HydrophobicContact CG1-CB 4.38Å; V217-L219 PolarHBondContact O-N 2.98Å; L219-L232 HydrophobicContact CD2-CD1 3.91Å; L219-L232 HydrophobicContact CD2-CD2 4.22Å; L219-T267 HydrophobicContact CD1-CG2 3.98Å; L219-T267 HydrophobicContact CD2-CG2 3.91Å; L219-T267 HydrophobicContact CG-CG2 4.04Å; L219-L269 HydrophobicContact CD1-CD1 4.03Å; L219-L269 HydrophobicContact CD1-CD2 4.34Å; L219-L269 HydrophobicContact CD1-CG 4.25Å; L219-L269 HydrophobicContact CD2-CD1 4.38Å
220N94.7Very high94.1Very high121 Ų12188.1 Ų88.165%0.64750%0.498SS*.G310 helixtrans-92.92.3175.6-65.9-3.6000112.2V217 I218V217-N220 HydrophobicContact CB-CB 4.12Å; V217-N220 HydrophobicContact CG1-CB 4.45Å; V217-N220 PolarHBondContact O-N 2.63Å; V217-N220 VanDerWaalsContact O-N 3.16Å; I218-N220 PolarHBondContact O-N 2.7Å
221K92.3Very high94.1Very high94 Ų9487.9 Ų87.941%0.40950%0.497SS..SBendtrans-90.9130.8177.6-65.5-175.6178.3-1770109.5I218 P233I218-K221 PolarHBondContact O-N 3.06Å; K221-P233 HydrophobicContact CD-CG 4.26Å
222D91.1Very high94Very high166 Ų16688.3 Ų88.389%0.88850%0.495SS*.PPolyproline II helixtrans-66.9136172-62.1-48000110.6
223T90.6Very high93.9Very high62 Ų6286.7 Ų86.738%0.3849%0.485SS..PPolyproline II helixtrans-99.8156.8171.355.30000109.9I225T223-I225 PolarHBondContact O-N 3.39Å
224N89.1Confident93.9Very high104 Ų10490 Ų9056%0.55650%0.5SS*.PPolyproline II helixtrans-66.4130.8178.5-171.5-21.9000109.6S226 C227N224-S226 PolarHBondContact ND2-OG 3.48Å; N224-S226 PolarHBondContact O-N 2.77Å; N224-S226 PolarHBondContact OD1-N 3.39Å; N224-S226 VanDerWaalsContact OD1-N 3.11Å; N224-S226 PolarHBondContact OD1-OG 3.47Å; N224-C227 PolarHBondContact O-N 3.46Å; N224-C227 PolarHBondContact O-SG 3.27Å
225I90.3Very high93.9Very high173 Ų17389 Ų8989%0.88750%0.496SS*.THydrogen-bonded Turntrans-54.4-19.2176.551.5159.4000114.3T223T223-I225 PolarHBondContact O-N 3.39Å
226S93.2Very high93.9Very high101 Ų10186 Ų8671%0.70648%0.48SS*.THydrogen-bonded Turntrans-82.4-12.6178.771.20000114.6N224N224-S226 PolarHBondContact ND2-OG 3.48Å; N224-S226 PolarHBondContact O-N 2.77Å; N224-S226 PolarHBondContact OD1-N 3.39Å; N224-S226 VanDerWaalsContact OD1-N 3.11Å; N224-S226 PolarHBondContact OD1-OG 3.47Å
227C91.6Very high94.1Very high49 Ų4987.6 Ų87.633%0.33149%0.488SS..SBendtrans-98.2163.6-178.866.40000112.7N224N224-C227 PolarHBondContact O-N 3.46Å; N224-C227 PolarHBondContact O-SG 3.27Å
228D94.7Very high94.3Very high94 Ų9488.8 Ų88.850%0.50350%0.495SS..  trans-57.6128.6174.3177.2-16.7000110.5A230 L231D228-A230 PolarHBondContact O-N 2.83Å; D228-A230 VanDerWaalsContact O-N 3.13Å; D228-A230 WeakPolarHBondContact OD1-CB 3.44Å; D228-A230 PolarHBondContact OD1-N 3.4Å; D228-L231 HydrophobicContact CB-CD1 3.83Å; D228-L231 HydrophobicContact CB-CG 3.9Å; D228-L231 WeakPolarHBondContact O-CB 2.97Å; D228-L231 PolarHBondContact O-N 2.97Å
229P93.6Very high94.3Very high119 Ų11988.8 Ų88.877%0.77350%0.495SS*.THydrogen-bonded Turntrans-58.2-22179.8-25.534.5000115.4L231P229-L231 VanDerWaalsContact C-N 3.29Å
230A94.7Very high94.4Very high82 Ų8286.6 Ų86.668%0.67848%0.483SS*.THydrogen-bonded Turntrans-80-10.8176.600000113.1D228D228-A230 PolarHBondContact O-N 2.83Å; D228-A230 VanDerWaalsContact O-N 3.13Å; D228-A230 WeakPolarHBondContact OD1-CB 3.44Å; D228-A230 PolarHBondContact OD1-N 3.4Å
231L95.7Very high94.6Very high100 Ų10086.6 Ų86.652%0.52448%0.483SS..  trans-83.7131.5178.8-64.1176.2000111D228 P229D228-L231 HydrophobicContact CB-CD1 3.83Å; D228-L231 HydrophobicContact CB-CG 3.9Å; D228-L231 WeakPolarHBondContact O-CB 2.97Å; D228-L231 PolarHBondContact O-N 2.97Å; P229-L231 VanDerWaalsContact C-N 3.29Å
232L96.1Very high94.9Very high70 Ų7086 Ų8637%0.36648%0.481SS..  trans-113.8154.6173.6-65.6175.3000109.7I218 L219 T267I218-L232 HydrophobicContact CD1-CB 4.03Å; I218-L232 HydrophobicContact CD1-CD1 4.49Å; I218-L232 HydrophobicContact CG1-CB 4.34Å; L219-L232 HydrophobicContact CD2-CD1 3.91Å; L219-L232 HydrophobicContact CD2-CD2 4.22Å; L232-T267 HydrophobicContact CD1-CG2 4.34Å; L232-T267 WeakPolarHBondContact CD1-OG1 3.48Å
233P95.2Very high95.2Very high54 Ų5483.7 Ų83.735%0.35147%0.469SS..PPolyproline II helixtrans-63164.2172.828.1-35.4000111.5I218 K221 P235I218-P233 HydrophobicContact CD1-CG 4.3Å; I218-P233 WeakPolarHBondContact CD1-O 3.43Å; I218-P233 HydrophobicContact CG1-CG 4.03Å; K221-P233 HydrophobicContact CD-CG 4.26Å; P233-P235 WeakPolarHBondContact O-CD 3.21Å
234E96.2Very high95.5Very high154 Ų15482.3 Ų82.372%0.7246%0.457SS*.PPolyproline II helixtrans-64.3124.6176.5-172.5172.2-176.300111.1Y265E234-Y265 HydrophobicContact CG-CD2 4.47Å; E234-Y265 HydrophobicContact CG-CE2 3.93Å
235P97.1Very high95.9Very high11 Ų1180.6 Ų80.67%0.07146%0.457CS..PPolyproline II helixtrans-75.8152.5178.330.8-35000111.7I218 P233 M239 L240 T258 Y265I218-P235 HydrophobicContact CD1-CB 3.94Å; P233-P235 WeakPolarHBondContact O-CD 3.21Å; P235-M239 HydrophobicContact CB-CG 4.19Å; P235-M239 HydrophobicContact CB-SD 3.69Å; P235-L240 HydrophobicContact CB-CD2 4.16Å; P235-L240 HydrophobicContact CG-CD2 3.93Å; P235-T258 HydrophobicContact CB-CG2 4.34Å; P235-T258 HydrophobicContact CG-CG2 4.08Å; P235-Y265 HydrophobicContact CG-CD1 3.71Å; P235-Y265 HydrophobicContact CG-CD2 3.97Å; P235-Y265 HydrophobicContact CG-CE1 4.21Å; P235-Y265 HydrophobicContact CG-CE2 4.44Å; P235-Y265 HydrophobicContact CG-CG 3.56Å
236N97.1Very high96.2Very high57 Ų5777.7 Ų77.731%0.30544%0.443SS..PPolyproline II helixtrans-69.2137.8166.8-171-35.8000109.6V238 M239N236-V238 PolarHBondContact O-N 2.85Å; N236-V238 VanDerWaalsContact O-N 3.11Å; N236-V238 PolarHBondContact OD1-N 2.87Å; N236-V238 VanDerWaalsContact OD1-N 3.12Å; N236-M239 HydrophobicContact CB-CG 4.42Å; N236-M239 WeakPolarHBondContact O-CG 3.48Å; N236-M239 PolarHBondContact O-N 3.31Å; N236-M239 VanDerWaalsContact O-N 3.14Å
237H97.6Very high96.4Very high131 Ų13177.9 Ų77.961%0.60644%0.444SS*.G310 helixtrans-58-28.3-179.670.1-85.5000113.5M239 L240H237-M239 VanDerWaalsContact C-N 3.33Å; H237-M239 PolarHBondContact O-N 2.84Å; H237-L240 HydrophobicContact CB-CD1 4.47Å; H237-L240 WeakPolarHBondContact O-CB 3.34Å; H237-L240 WeakPolarHBondContact O-CG 3.48Å; H237-L240 PolarHBondContact O-N 3.1Å
238V97.8Very high96.6Very high57 Ų5780 Ų8035%0.34545%0.451SS..G310 helixtrans-69.6-26-179.3-179.50000112.9N236 H242N236-V238 PolarHBondContact O-N 2.85Å; N236-V238 VanDerWaalsContact O-N 3.11Å; N236-V238 PolarHBondContact OD1-N 2.87Å; N236-V238 VanDerWaalsContact OD1-N 3.12Å; V238-H242 PolarHBondContact O-CD2 3.21Å; V238-H242 PolarHBondContact O-NE2 2.98Å
239M96.9Very high96.6Very high4 Ų482.8 Ų82.82%0.0246%0.459CS..G310 helixtrans-86.2-7.7179.662.5152.163.200113.7L214 Q216 I218 P235 N236 H237 H242L214-M239 HydrophobicContact CD2-CB 4.46Å; Q216-M239 WeakPolarHBondContact O-CE 2.95Å; I218-M239 HydrophobicContact CB-CE 4.5Å; I218-M239 HydrophobicContact CB-SD 4.27Å; I218-M239 HydrophobicContact CG2-SD 4.49Å; P235-M239 HydrophobicContact CB-CG 4.19Å; P235-M239 HydrophobicContact CB-SD 3.69Å; N236-M239 HydrophobicContact CB-CG 4.42Å; N236-M239 WeakPolarHBondContact O-CG 3.48Å; N236-M239 PolarHBondContact O-N 3.31Å; N236-M239 VanDerWaalsContact O-N 3.14Å; H237-M239 VanDerWaalsContact C-N 3.33Å; H237-M239 PolarHBondContact O-N 2.84Å; M239-H242 WeakPolarHBondContact O-CB 3.41Å; M239-H242 PolarHBondContact O-N 2.92Å
240L97.6Very high96.7Very high16 Ų1685.1 Ų85.18%0.08447%0.465CS..THydrogen-bonded Turntrans-67.2147.3-179.5-58.1177.3000110.1P235 H237 H242 T258 R260 Y265P235-L240 HydrophobicContact CB-CD2 4.16Å; P235-L240 HydrophobicContact CG-CD2 3.93Å; H237-L240 HydrophobicContact CB-CD1 4.47Å; H237-L240 WeakPolarHBondContact O-CB 3.34Å; H237-L240 WeakPolarHBondContact O-CG 3.48Å; H237-L240 PolarHBondContact O-N 3.1Å; L240-H242 PolarHBondContact O-CD2 2.81Å; L240-H242 PolarHBondContact O-N 2.94Å; L240-H242 VanDerWaalsContact O-N 3.14Å; L240-T258 WeakPolarHBondContact CA-O 3.36Å; L240-T258 HydrophobicContact CD2-CG2 3.53Å; L240-R260 HydrophobicContact CD1-CB 4.17Å; L240-Y265 HydrophobicContact CD1-CD1 4.11Å; L240-Y265 HydrophobicContact CD1-CE1 3.83Å; L240-Y265 HydrophobicContact CD2-CD1 4.02Å; L240-Y265 HydrophobicContact CD2-CE1 4.46Å
241N97.8Very high96.7Very high120 Ų12083.2 Ų83.264%0.64245%0.453SS*.THydrogen-bonded Turntrans64.16.3-177.2-44.8-37.9000115T258 H259N241-T258 PolarHBondContact N-O 2.99Å; N241-H259 PolarHBondContact OD1-CD2 3.01Å; N241-H259 VanDerWaalsContact OD1-CD2 3.31Å
242H98.2Very high96.8Very high81 Ų8181 Ų8138%0.37544%0.443SS..  trans-86.7137.9169.7-70.6-89.9000111L214 V238 M239 L240 Y244L214-H242 HydrophobicContact CD2-CB 4.46Å; V238-H242 PolarHBondContact O-CD2 3.21Å; V238-H242 PolarHBondContact O-NE2 2.98Å; M239-H242 WeakPolarHBondContact O-CB 3.41Å; M239-H242 PolarHBondContact O-N 2.92Å; L240-H242 PolarHBondContact O-CD2 2.81Å; L240-H242 PolarHBondContact O-N 2.94Å; L240-H242 VanDerWaalsContact O-N 3.14Å; H242-Y244 HydrophobicContact CB-CE2 4.19Å
243L98.1Very high96.8Very high119 Ų11980.7 Ų80.762%0.62344%0.441SS*.EExtended strand (participates in β ladder)trans-83.5126177.5-171.272000110.3L255L243-L255 HydrophobicContact CD1-CB 4.14Å; L243-L255 HydrophobicContact CD1-CD2 4.44Å; L243-L255 HydrophobicContact CD2-CD2 4.26Å; L243-L255 HydrophobicContact CG-CD2 4.5Å
244Y97.9Very high96.9Very high33 Ų3379.6 Ų79.613%0.12943%0.433CS..EExtended strand (participates in β ladder)trans-112134.5168.7-63.2-87.9000109L214 V217 H242 L255 S256L214-Y244 WeakPolarHBondContact O-CE1 3.47Å; L214-Y244 PolarHBondContact O-OH 2.91Å; V217-Y244 HydrophobicContact CB-CD1 4.43Å; V217-Y244 HydrophobicContact CB-CE1 4.43Å; V217-Y244 HydrophobicContact CG1-CD1 4.05Å; V217-Y244 HydrophobicContact CG1-CE1 4.44Å; V217-Y244 HydrophobicContact CG1-CG 4.41Å; V217-Y244 HydrophobicContact CG2-CD1 3.78Å; V217-Y244 HydrophobicContact CG2-CE1 3.76Å; H242-Y244 HydrophobicContact CB-CE2 4.19Å; Y244-L255 CarbonylContact O-C 3.59Å; Y244-S256 WeakPolarHBondContact CB-OG 3.39Å; Y244-S256 PolarHBondContact N-O 3.34Å; Y244-S256 PolarHBondContact O-N 2.71Å; Y244-S256 PolarHBondContact O-OG 2.85Å
245A97.3Very high97Very high68 Ų6874.3 Ų74.356%0.56241%0.409SS*.EExtended strand (participates in β ladder)trans-127.5143.4-179.100000110.3V254 L255A245-V254 WeakPolarHBondContact CA-O 3.36Å; A245-L255 HydrophobicContact CB-CD2 3.64Å
246L96.6Very high97.1Very high112 Ų11274.5 Ų74.559%0.58641%0.411SS*.PPolyproline II helixtrans-84.9153.8163.7-67.7175.2000109.6I248 V254L246-I248 PolarHBondContact O-N 3.09Å; L246-V254 HydrophobicContact CB-CB 4.32Å; L246-V254 HydrophobicContact CD1-CB 4.28Å; L246-V254 HydrophobicContact CD1-CG1 4.2Å; L246-V254 PolarHBondContact N-O 2.88Å; L246-V254 VanDerWaalsContact N-O 3.09Å
247S96.6Very high97.1Very high104 Ų10472.4 Ų72.473%0.72740%0.402SS*.PPolyproline II helixtrans-57.2131.5167.4-550000109.5K249S247-K249 PolarHBondContact O-N 3.19Å
248I96.2Very high97.2Very high93 Ų9366.2 Ų66.248%0.47737%0.373SS..PPolyproline II helixtrans-58.3131.4179-63.6158.3000109.2L246 M253 I274L246-I248 PolarHBondContact O-N 3.09Å; I248-M253 HydrophobicContact CD1-CE 4.24Å; I248-M253 HydrophobicContact CG1-CB 4.37Å; I248-M253 HydrophobicContact CG1-CG 4.39Å; I248-I274 HydrophobicContact CB-CD1 4.3Å; I248-I274 HydrophobicContact CD1-CD1 3.46Å; I248-I274 VanDerWaalsContact CD1-CD1 3.46Å; I248-I274 HydrophobicContact CG1-CD1 3.8Å; I248-I274 HydrophobicContact CG2-CD1 3.52Å
249K94.6Very high97.2Very high154 Ų15467.8 Ų67.867%0.6738%0.376SS*.BIsolated β-bridgetrans-138.1143.3175.7-69.1-176.9-179.7-178.50109.1S247 G251 V252S247-K249 PolarHBondContact O-N 3.19Å; K249-G251 PolarHBondContact O-N 2.79Å; K249-G251 VanDerWaalsContact O-N 3.14Å; K249-V252 PolarHBondContact N-O 3.2Å; K249-V252 PolarHBondContact O-N 2.92Å
250D94.8Very high97.3Very high168 Ų16873.3 Ų73.390%0.89840%0.397SS*.THydrogen-bonded Turntrans52.935.7176-52-42.4000114.6V252D250-V252 PolarHBondContact O-N 2.75Å
251G95.1Very high97.3Very high41 Ų4179.9 Ų79.942%0.42342%0.422SS..THydrogen-bonded Turntrans72.411.1-179.500000114.7K249 P273 I274K249-G251 PolarHBondContact O-N 2.79Å; K249-G251 VanDerWaalsContact O-N 3.14Å; G251-P273 WeakPolarHBondContact O-CA 3.43Å; G251-I274 PolarHBondContact O-N 3.02Å
252V97.1Very high97.2Very high53 Ų5382.1 Ų82.132%0.32143%0.426SS..EExtended strand (participates in β ladder)trans-113.8128.1-179.9-1770000110.8K249 D250 V254 C271K249-V252 PolarHBondContact N-O 3.2Å; K249-V252 PolarHBondContact O-N 2.92Å; D250-V252 PolarHBondContact O-N 2.75Å; V252-V254 HydrophobicContact CG1-CG2 4.31Å; V252-C271 HydrophobicContact CG1-CB 4.23Å
253M97.2Very high97.2Very high64 Ų6487.6 Ų87.632%0.31545%0.449SS..EExtended strand (participates in β ladder)trans-90.2132.1168-172.1-176.2-66.900109.7I248 L255 C271 K272 I274I248-M253 HydrophobicContact CD1-CE 4.24Å; I248-M253 HydrophobicContact CG1-CB 4.37Å; I248-M253 HydrophobicContact CG1-CG 4.39Å; M253-L255 HydrophobicContact CG-CD2 4.05Å; M253-L255 HydrophobicContact CG-CG 4.03Å; M253-L255 HydrophobicContact SD-CD1 3.89Å; M253-L255 HydrophobicContact SD-CD2 3.96Å; M253-L255 HydrophobicContact SD-CG 3.93Å; M253-C271 WeakPolarHBondContact O-CA 3.42Å; M253-K272 PolarHBondContact N-O 2.98Å; M253-K272 PolarHBondContact O-N 3.13Å; M253-I274 HydrophobicContact CB-CD1 4.04Å; M253-I274 HydrophobicContact CB-CG1 4.05Å; M253-I274 HydrophobicContact CE-CD1 4.05Å; M253-I274 HydrophobicContact CE-CG1 4.42Å
254V97.9Very high97.2Very high31 Ų3189.4 Ų89.419%0.18845%0.451CS..EExtended strand (participates in β ladder)trans-117.8116.7173.6-175.80000109.2A245 L246 V252 L270A245-V254 WeakPolarHBondContact CA-O 3.36Å; L246-V254 HydrophobicContact CB-CB 4.32Å; L246-V254 HydrophobicContact CD1-CB 4.28Å; L246-V254 HydrophobicContact CD1-CG1 4.2Å; L246-V254 PolarHBondContact N-O 2.88Å; L246-V254 VanDerWaalsContact N-O 3.09Å; V252-V254 HydrophobicContact CG1-CG2 4.31Å; V254-L270 WeakPolarHBondContact CA-O 3.49Å
255L97.9Very high97.2Very high44 Ų4491.1 Ų91.123%0.2346%0.458CS..EExtended strand (participates in β ladder)trans-114.4148.7178-61.8-178.9000109.9L243 Y244 A245 M253 L269 L270L243-L255 HydrophobicContact CD1-CB 4.14Å; L243-L255 HydrophobicContact CD1-CD2 4.44Å; L243-L255 HydrophobicContact CD2-CD2 4.26Å; L243-L255 HydrophobicContact CG-CD2 4.5Å; Y244-L255 CarbonylContact O-C 3.59Å; A245-L255 HydrophobicContact CB-CD2 3.64Å; M253-L255 HydrophobicContact CG-CD2 4.05Å; M253-L255 HydrophobicContact CG-CG 4.03Å; M253-L255 HydrophobicContact SD-CD1 3.89Å; M253-L255 HydrophobicContact SD-CD2 3.96Å; M253-L255 HydrophobicContact SD-CG 3.93Å; L255-L269 CarbonylContact O-C 3.55Å; L255-L269 WeakPolarHBondContact O-CA 3.37Å; L255-L270 PolarHBondContact N-O 3.21Å; L255-L270 PolarHBondContact O-N 3.49Å
256S98.1Very high97.3Very high14 Ų1491.6 Ų91.610%0.09845%0.454CS..EExtended strand (participates in β ladder)trans-146.1149.9174.766.80000111.9Y244 T268Y244-S256 WeakPolarHBondContact CB-OG 3.39Å; Y244-S256 PolarHBondContact N-O 3.34Å; Y244-S256 PolarHBondContact O-N 2.71Å; Y244-S256 PolarHBondContact O-OG 2.85Å; S256-T268 WeakPolarHBondContact CA-O 3.46Å; S256-T268 WeakPolarHBondContact CB-O 3.5Å
257A98.3Very high97.3Very high14 Ų1487.6 Ų87.612%0.11643%0.434CS..EExtended strand (participates in β ladder)trans-151.7146.2172.600000109.7T267 T268A257-T267 WeakPolarHBondContact O-CA 3.45Å; A257-T268 PolarHBondContact N-O 3.41Å; A257-T268 PolarHBondContact O-N 3.47Å
258T98.5Very high97.4Very high1 Ų186.5 Ų86.51%0.00642%0.423CS..EExtended strand (participates in β ladder)trans-100.6122.9175.2-52.10000109.8P235 L240 N241 V266 T267P235-T258 HydrophobicContact CB-CG2 4.34Å; P235-T258 HydrophobicContact CG-CG2 4.08Å; L240-T258 WeakPolarHBondContact CA-O 3.36Å; L240-T258 HydrophobicContact CD2-CG2 3.53Å; N241-T258 PolarHBondContact N-O 2.99Å; T258-V266 WeakPolarHBondContact CA-O 3.19Å; T258-T267 WeakPolarHBondContact CG2-OG1 3.5Å; T258-T267 PolarHBondContact OG1-OG1 3.4Å
259H98.4Very high97.5Very high89 Ų8986.7 Ų86.741%0.41243%0.425SS..EExtended strand (participates in β ladder)trans-116150.3179.1-6395.7000110.8N241 Y265 V266N241-H259 PolarHBondContact OD1-CD2 3.01Å; N241-H259 VanDerWaalsContact OD1-CD2 3.31Å; H259-Y265 WeakPolarHBondContact O-CA 3.41Å; H259-V266 PolarHBondContact N-O 2.87Å; H259-V266 PolarHBondContact O-N 3.14Å
260R98.4Very high97.7Very high120 Ų12084 Ų8445%0.45342%0.417SS..EExtended strand (participates in β ladder)trans-95.7127.5173.7-173.4-176.1-62.9-130.4-4.8109.7L240 K262 K264 Y265L240-R260 HydrophobicContact CD1-CB 4.17Å; R260-K262 WeakPolarHBondContact CD-O 3.3Å; R260-K262 WeakPolarHBondContact CG-O 3.46Å; R260-K264 CarbonylContact C-O 3.39Å; R260-K264 WeakPolarHBondContact CA-O 3.44Å; R260-Y265 HydrophobicContact CB-CD1 4.19Å; R260-Y265 HydrophobicContact CB-CE1 4.28Å; R260-Y265 HydrophobicContact CG-CD1 4.2Å; R260-Y265 HydrophobicContact CG-CE1 3.99Å; R260-Y265 PolarHBondContact NH2-OH 2.92Å; R260-Y265 VanDerWaalsContact NH2-OH 3.1Å
261Y97.9Very high97.8Very high155 Ų15580.1 Ų80.161%0.60840%0.402SS*.EExtended strand (participates in β ladder)trans-117.8109.3167.8-179.3-107.8000109.4K263 K264Y261-K263 PolarHBondContact O-N 2.85Å; Y261-K263 VanDerWaalsContact O-N 3.1Å; Y261-K264 PolarHBondContact N-O 2.96Å; Y261-K264 PolarHBondContact O-N 3.32Å
262K96.9Very high97.9Very high167 Ų16784.6 Ų84.673%0.72641%0.41SS*.THydrogen-bonded Turntrans54.1-112.1-170.1-56.5-178.8178.5-176.70110.9R260R260-K262 WeakPolarHBondContact CD-O 3.3Å; R260-K262 WeakPolarHBondContact CG-O 3.46Å
263K97.7Very high97.8Very high196 Ų19686.7 Ų86.785%0.85242%0.424SS*.THydrogen-bonded Turntrans-104.311.3178.3-61.7-173177.6-176.90113.2Y261Y261-K263 PolarHBondContact O-N 2.85Å; Y261-K263 VanDerWaalsContact O-N 3.1Å
264K97.9Very high97.5Very high157 Ų15790.9 Ų90.968%0.68345%0.447SS*.EExtended strand (participates in β ladder)trans-115158.2-179.8-63.8-171.7176.7-171.70110.8R260 Y261R260-K264 CarbonylContact C-O 3.39Å; R260-K264 WeakPolarHBondContact CA-O 3.44Å; Y261-K264 PolarHBondContact N-O 2.96Å; Y261-K264 PolarHBondContact O-N 3.32Å
265Y98.4Very high97.4Very high68 Ų6893.9 Ų93.927%0.26746%0.459SS..EExtended strand (participates in β ladder)trans-120139.2179-52.1-78000109.9E234 P235 L240 H259 R260E234-Y265 HydrophobicContact CG-CD2 4.47Å; E234-Y265 HydrophobicContact CG-CE2 3.93Å; P235-Y265 HydrophobicContact CG-CD1 3.71Å; P235-Y265 HydrophobicContact CG-CD2 3.97Å; P235-Y265 HydrophobicContact CG-CE1 4.21Å; P235-Y265 HydrophobicContact CG-CE2 4.44Å; P235-Y265 HydrophobicContact CG-CG 3.56Å; L240-Y265 HydrophobicContact CD1-CD1 4.11Å; L240-Y265 HydrophobicContact CD1-CE1 3.83Å; L240-Y265 HydrophobicContact CD2-CD1 4.02Å; L240-Y265 HydrophobicContact CD2-CE1 4.46Å; H259-Y265 WeakPolarHBondContact O-CA 3.41Å; R260-Y265 HydrophobicContact CB-CD1 4.19Å; R260-Y265 HydrophobicContact CB-CE1 4.28Å; R260-Y265 HydrophobicContact CG-CD1 4.2Å; R260-Y265 HydrophobicContact CG-CE1 3.99Å; R260-Y265 PolarHBondContact NH2-OH 2.92Å; R260-Y265 VanDerWaalsContact NH2-OH 3.1Å
266V98.2Very high97.4Very high78 Ų7896.5 Ų96.547%0.47347%0.472SS..EExtended strand (participates in β ladder)trans-131.9123.8177.8-177.30000108.2T258 H259T258-V266 WeakPolarHBondContact CA-O 3.19Å; H259-V266 PolarHBondContact N-O 2.87Å; H259-V266 PolarHBondContact O-N 3.14Å
267T98.4Very high97.4Very high29 Ų29101.1 Ų101.118%0.17849%0.492CS..EExtended strand (participates in β ladder)trans-97.3112.2170.3-57.10000108.3L219 L232 A257 T258 L269L219-T267 HydrophobicContact CD1-CG2 3.98Å; L219-T267 HydrophobicContact CD2-CG2 3.91Å; L219-T267 HydrophobicContact CG-CG2 4.04Å; L232-T267 HydrophobicContact CD1-CG2 4.34Å; L232-T267 WeakPolarHBondContact CD1-OG1 3.48Å; A257-T267 WeakPolarHBondContact O-CA 3.45Å; T258-T267 WeakPolarHBondContact CG2-OG1 3.5Å; T258-T267 PolarHBondContact OG1-OG1 3.4Å; T267-L269 HydrophobicContact CG2-CD1 4.26Å
268T98.1Very high97.3Very high81 Ų81106.2 Ų106.250%0.49751%0.514SS..EExtended strand (participates in β ladder)trans-98.4134.5179.4-53.30000109.2S256 A257S256-T268 WeakPolarHBondContact CA-O 3.46Å; S256-T268 WeakPolarHBondContact CB-O 3.5Å; A257-T268 PolarHBondContact N-O 3.41Å; A257-T268 PolarHBondContact O-N 3.47Å
269L98.1Very high97.3Very high96 Ų96112.8 Ų112.850%0.50355%0.546SS..EExtended strand (participates in β ladder)trans-107.8133.2171.3-72.177.1000108.7L219 L255 T267L219-L269 HydrophobicContact CD1-CD1 4.03Å; L219-L269 HydrophobicContact CD1-CD2 4.34Å; L219-L269 HydrophobicContact CD1-CG 4.25Å; L219-L269 HydrophobicContact CD2-CD1 4.38Å; L255-L269 CarbonylContact O-C 3.55Å; L255-L269 WeakPolarHBondContact O-CA 3.37Å; T267-L269 HydrophobicContact CG2-CD1 4.26Å
270L97.7Very high97.2Very high99 Ų99114.3 Ų114.352%0.51856%0.555SS.*EExtended strand (participates in β ladder)trans-117.3117.4173.7175.866.3000108.8V254 L255V254-L270 WeakPolarHBondContact CA-O 3.49Å; L255-L270 PolarHBondContact N-O 3.21Å; L255-L270 PolarHBondContact O-N 3.49Å
271C97.2Very high97.1Very high85 Ų85113.9 Ų113.957%0.57456%0.562SS**EExtended strand (participates in β ladder)trans-100.9118.3170.8-58.40000108.5V252 M253V252-C271 HydrophobicContact CG1-CB 4.23Å; M253-C271 WeakPolarHBondContact O-CA 3.42Å
272K97Very high97Very high135 Ų135110.8 Ų110.859%0.58756%0.559SS**EExtended strand (participates in β ladder)trans-131.8127-177.4-175.9176.7173.51760110.8M253M253-K272 PolarHBondContact N-O 2.98Å; M253-K272 PolarHBondContact O-N 3.13Å
273P95.8Very high97.1Very high97 Ų97106.1 Ų106.163%0.6355%0.545SS*.EExtended strand (participates in β ladder)trans-61.9149.1170.7-20.732.7000112.1G251G251-P273 WeakPolarHBondContact O-CA 3.43Å
274I90.2Very high97Very high152 Ų15297.9 Ų97.978%0.77952%0.517SS*.  trans-101.10177.3-53.5-178000110.4I248 G251 M253I248-I274 HydrophobicContact CB-CD1 4.3Å; I248-I274 HydrophobicContact CD1-CD1 3.46Å; I248-I274 VanDerWaalsContact CD1-CD1 3.46Å; I248-I274 HydrophobicContact CG1-CD1 3.8Å; I248-I274 HydrophobicContact CG2-CD1 3.52Å; G251-I274 PolarHBondContact O-N 3.02Å; M253-I274 HydrophobicContact CB-CD1 4.04Å; M253-I274 HydrophobicContact CB-CG1 4.05Å; M253-I274 HydrophobicContact CE-CD1 4.05Å; M253-I274 HydrophobicContact CE-CG1 4.42Å

Retrieved 274 of 274 residues in 159.2 ms (Link to these results)