X4ZEG9_MOUSE Loading...

PDZD7 splice variant 4

AlphaFold DB , UniProt , Accession X4ZEG9, Species MOUSE (Mus musculus, Mouse), Gene Pdzd7, Length 245 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
1M37.8Very low34.5Very low237 Ų237147.5 Ų147.5100%1.16782%0.821SS**  089.90-72.7164.3160.100106.2
2A31.3Very low34.2Very low92 Ų92150.2 Ų150.276%0.7683%0.831SS**  66.6123.875.300000110.1
3R31.8Very low33.8Very low243 Ų243144.5 Ų144.592%0.91783%0.828SS**  cis-159.8146.414.9-54.6177.9107.7125.7-4.1106.9
4G31.2Very low33.8Very low68 Ų68147.4 Ų147.470%0.70184%0.838SS**  78.2137.774.200000111.3
5F32.6Very low33.7Very low201 Ų201142.5 Ų142.588%0.88283%0.833SS**  cis-167.317110.4-116.8-92.3000109.6
6T38.4Very low33.5Very low108 Ų108143.4 Ų143.466%0.66383%0.827SS**  trans-53.2161.6-179.7600000119.8
7V34.6Very low33.3Very low144 Ų144143.4 Ų143.487%0.87382%0.822SS**  169.1148.5117.8-890000108.8
8G29.8Very low33Very low62 Ų62141.3 Ų141.364%0.63982%0.818SS**  cis162.5162.64.600000109.9
9F29.7Very low33.5Very low205 Ų205139.9 Ų139.990%0.89982%0.817SS**  trans88.6106.4155.9-71.5-88000122.4
10D37.4Very low33.3Very low152 Ų152136.8 Ų136.881%0.81382%0.816SS**  trans-65.6163.1153.9-54.7-84.4000112.3
11P45.1Very low33.1Very low110 Ų110136 Ų13671%0.71482%0.817SS**  -154.21548031.6-7.6000118.8
12L30.4Very low32.8Very low180 Ų180133.4 Ų133.494%0.94281%0.807SS**  trans57.7139131.6-56.3170.2000123.1
13G30Very low32.7Very low77 Ų77134.2 Ų134.279%0.79481%0.807SS**  trans141.490.9134.400000118.3
14L33.1Very low33Very low185 Ų185128.1 Ų128.197%0.96980%0.802SS**  trans-56148.1156.9-88.7156.1000112.1
15G32.2Very low33Very low74 Ų74131.7 Ų131.776%0.76381%0.809SS**  trans-178.466.4173.400000115.8
16E30.8Very low33Very low156 Ų156127.1 Ų127.173%0.72980%0.802SS**  trans1138.9136.8-87-90.190.400120.3
17L29.6Very low32.7Very low143 Ų143126.8 Ų126.875%0.74980%0.804SS**  trans72.9121.3147-50.5162.2000120
18S27.6Very low32.6Very low107 Ų107131.8 Ų131.875%0.74881%0.808SS**  161.8139.599.6-167.40000113.1
19S42.4Very low32.8Very low114 Ų114132.5 Ų132.580%0.79782%0.815SS**  trans-41.1137158.448.60000114.1
20G29.4Very low32.9Very low77 Ų77131 Ų13179%0.79481%0.81SS**  trans-151.7111.7172.600000111.4
21S31Very low32.9Very low120 Ų120131.4 Ų131.484%0.83981%0.812SS**  trans-55.5144.8-175.5-54.40000114.8S23S21-S23 PolarHBondContact O-N 3.46Å
22L30.3Very low32.2Very low184 Ų184129.6 Ų129.696%0.96381%0.813SS**  trans-60.6116.6165.3-68.6160.5000109.6
23S29.7Very low32.4Very low108 Ų108126.9 Ų126.976%0.75581%0.809SS**  trans-125.5129.6160.255.70000109.9S21S21-S23 PolarHBondContact O-N 3.46Å
24S37.9Very low32.6Very low116 Ų116131.2 Ų131.281%0.81181%0.814SS**  trans-61.1129178.1164.60000111.5
25V31.2Very low32.9Very low142 Ų142127.2 Ų127.286%0.86180%0.802SS**  trans-132.7117.1150.4-72.60000109.6
26S31.6Very low33.2Very low105 Ų105124.9 Ų124.973%0.73478%0.777SS**  trans-80.1139.2166-159.10000108.4
27S34Very low33.7Very low101 Ų101121.3 Ų121.371%0.70677%0.77SS**  159.8131.2124.3-71.30000113
28R32.1Very low34.3Very low249 Ų249118 Ų11894%0.9476%0.755SS**  trans61.4115.1149.8-68.6168.4125.8179.4-3115.7
29G34.3Very low35Very low77 Ų77114.1 Ų114.179%0.79473%0.73SS**  cis125.810835.400000106.1
30H30.5Very low34.9Very low173 Ų173111.6 Ų111.680%0.80171%0.71SS**  trans-152.2110.9167.2-151.3-84.4000110.4G32H30-G32 PolarHBondContact O-N 2.87Å
31L38.5Very low35.9Very low162 Ų162111.3 Ų111.385%0.84869%0.685SS**  trans1.5102.9153.9-61.7157.4000115.2
32G28.9Very low36.2Very low72 Ų72113.3 Ų113.374%0.74268%0.675SS**  trans-113.9114.4168.600000109.5H30 D34H30-G32 PolarHBondContact O-N 2.87Å; G32-D34 PolarHBondContact O-N 3.28Å
33S35.8Very low36.7Very low123 Ų123106.1 Ų106.186%0.8664%0.638SS**  trans-42.1123.1172-127.60000111.9S35S33-S35 PolarHBondContact O-N 3.06Å
34D34.9Very low36.9Very low167 Ų167106.9 Ų106.989%0.89363%0.633SS**  trans-74.869.4173.2-162.329000109.7G32 G36G32-D34 PolarHBondContact O-N 3.28Å; D34-G36 PolarHBondContact O-N 2.89Å
35S37.3Very low36.8Very low102 Ų102110.6 Ų110.671%0.71363%0.629SS**  trans-85.1101.2166.4177.30000107.3S33 S37S33-S35 PolarHBondContact O-N 3.06Å; S35-S37 PolarHBondContact O-N 3.47Å
36G39.2Very low36.9Very low24 Ų24112.5 Ų112.525%0.24763%0.626CS.*  trans-53.4108.8177.300000110.9D34 T38D34-G36 PolarHBondContact O-N 2.89Å; G36-T38 PolarHBondContact O-N 2.71Å; G36-T38 VanDerWaalsContact O-N 3.1Å
37S41.6Very low37Very low82 Ų82115.3 Ų115.357%0.57363%0.627SS**  trans-69.4107.8-179.3-172.80000109.9S35 R118S35-S37 PolarHBondContact O-N 3.47Å; S37-R118 PolarHBondContact O-N 3.4Å
38T41.8Very low36.9Very low72 Ų72118.6 Ų118.644%0.44263%0.631SS.*EExtended strand (participates in β ladder)trans-86.4130.7171-58.10000109G36 M115G36-T38 PolarHBondContact O-N 2.71Å; G36-T38 VanDerWaalsContact O-N 3.1Å; T38-M115 HydrophobicContact CG2-CG 3.33Å; T38-M115 HydrophobicContact CG2-SD 3.44Å; T38-M115 WeakPolarHBondContact CG2-SD 3.25Å
39A42.3Very low37.1Very low26 Ų26115.9 Ų115.922%0.21562%0.621CS.*EExtended strand (participates in β ladder)trans-137.2133.6-174.600000112V116A39-V116 PolarHBondContact N-O 3.21Å; A39-V116 PolarHBondContact O-N 2.84Å
40T40.6Very low37.2Very low62 Ų62119.4 Ų119.438%0.3862%0.621SS.*EExtended strand (participates in β ladder)trans-83.2138-178.6-55.30000111.2Y42 H113T40-Y42 HydrophobicContact CG2-CE2 4.04Å; T40-H113 WeakPolarHBondContact CG2-NE2 3.49Å
41R51.7Low37.6Very low71 Ų71116.9 Ų116.927%0.26861%0.613SS.*EExtended strand (participates in β ladder)trans-140.2146.9-174.8-63.2-63.4-166.8-85.8-5.9112.6A78 G79 L80 M114 V116R41-A78 WeakPolarHBondContact CD-O 3.38Å; R41-A78 PolarHBondContact NE-O 3.16Å; R41-G79 PolarHBondContact NE-O 3.43Å; R41-G79 VanDerWaalsContact NE-O 3.15Å; R41-G79 PolarHBondContact NH2-O 2.87Å; R41-L80 HydrophobicContact CB-CD2 3.9Å; R41-L80 HydrophobicContact CB-CG 4.33Å; R41-L80 HydrophobicContact CG-CD2 3.65Å; R41-L80 HydrophobicContact CG-CG 4.23Å; R41-M114 PolarHBondContact N-O 2.94Å; R41-M114 PolarHBondContact O-N 3.35Å; R41-V116 HydrophobicContact CG-CG2 4.41Å
42Y37Very low37.2Very low161 Ų161116.8 Ų116.863%0.63161%0.613SS**EExtended strand (participates in β ladder)trans-123.7126.8-177.8-61.9-93000110.4T40 L112 H113T40-Y42 HydrophobicContact CG2-CE2 4.04Å; Y42-L112 WeakPolarHBondContact CA-O 3.5Å; Y42-H113 HydrophobicContact CD1-CB 4.44Å; Y42-H113 AromaticContact CD1-CD2 3.77Å; Y42-H113 HydrophobicContact CE1-CB 4.32Å; Y42-H113 AromaticContact CE1-CD2 3.14Å; Y42-H113 WeakPolarHBondContact CE1-CD2 3.45Å; Y42-H113 AromaticContact CE1-CG 3.99Å; Y42-H113 AromaticContact CE1-NE2 3.9Å; Y42-H113 AromaticContact CZ-CD2 3.33Å; Y42-H113 AromaticContact CZ-NE2 3.64Å; Y42-H113 PolarHBondContact OH-NE2 2.77Å
43L40.8Very low37.3Very low33 Ų33116.3 Ų116.317%0.17361%0.608CS.*EExtended strand (participates in β ladder)trans-112.8130.6169.8-78.5177.8000110.6A78 L80 L112 M114L43-A78 HydrophobicContact CD2-CB 4.08Å; L43-L80 HydrophobicContact CD1-CD1 4.08Å; L43-L80 HydrophobicContact CD2-CD1 4.27Å; L43-L80 HydrophobicContact CG-CD1 4.11Å; L43-L112 PolarHBondContact N-O 3.38Å; L43-L112 PolarHBondContact O-N 3.04Å; L43-M114 HydrophobicContact CB-CE 4Å; L43-M114 HydrophobicContact CD1-CE 3.34Å; L43-M114 HydrophobicContact CG-CE 3.55Å
44L32.9Very low37.6Very low124 Ų124117.1 Ų117.165%0.64961%0.61SS**EExtended strand (participates in β ladder)trans-114.5125.3177.1-165.376.2000110.2K46 C111L44-K46 PolarHBondContact O-N 3.43Å; L44-C111 HydrophobicContact CD1-CB 4.36Å; L44-C111 WeakPolarHBondContact CD1-SG 3.34Å
45R36.5Very low37.5Very low194 Ų194114 Ų11473%0.73260%0.602SS**  trans-79.6115.8177.9-172.8178.3-179.7-127.10.5110.7S110R45-S110 PolarHBondContact N-O 3.35Å
46K33.5Very low38Very low183 Ų183121.5 Ų121.580%0.79662%0.615SS**  trans-84.9115.9177.3-148.4178.4-173.9-1780110.8L44 I74L44-K46 PolarHBondContact O-N 3.43Å; K46-I74 HydrophobicContact CB-CD1 4.21Å
47Q32.9Very low37.9Very low164 Ų164123.1 Ų123.177%0.76663%0.631SS**  trans-91.7105.2175.3-164.7174.521.400109.4R49Q47-R49 PolarHBondContact O-N 3.44Å; Q47-R49 VanDerWaalsContact O-N 3.17Å
48Q31.8Very low37.4Very low170 Ų170126.9 Ų126.979%0.79464%0.643SS**  trans-8194.6178.9-163.9160.611.600109.7L50Q48-L50 HydrophobicContact CG-CG 4.37Å; Q48-L50 PolarHBondContact O-N 2.88Å
49R36.6Very low36.8Very low191 Ų191134.5 Ų134.572%0.72166%0.664SS**  trans-76.297.6162.8-94.2175.272.5174.31.9107.9Q47Q47-R49 PolarHBondContact O-N 3.44Å; Q47-R49 VanDerWaalsContact O-N 3.17Å
50L36.1Very low36.3Very low151 Ų151137.4 Ų137.479%0.79169%0.688SS**  trans-86.6106.4155.5-77.8167.1000107.1Q48Q48-L50 HydrophobicContact CG-CG 4.37Å; Q48-L50 PolarHBondContact O-N 2.88Å
51L38.3Very low35.9Very low121 Ų121138.9 Ų138.963%0.63470%0.7SS**  trans-75.3118.7170.1-80.8116.9000108.7
52N31.5Very low35Very low159 Ų159140 Ų14085%0.8572%0.72SS**  trans148.8116.9134.3-73.2-13.4000111.6
53G30.3Very low34.6Very low62 Ų62138.2 Ų138.264%0.63973%0.728SS**SBendtrans119.6135.4171.900000113.7S55G53-S55 PolarHBondContact O-N 2.92Å; G53-S55 VanDerWaalsContact O-N 3.17Å
54P43Very low34Very low140 Ų140144.4 Ų144.491%0.90976%0.757SS**  trans-82.999.9-171.233.2-30.5000110.6
55S31.5Very low33.8Very low103 Ų103141.1 Ų141.172%0.7275%0.754SS**  trans-103.7102.1171.231.90000110.7G53 G57G53-S55 PolarHBondContact O-N 2.92Å; G53-S55 VanDerWaalsContact O-N 3.17Å; S55-G57 PolarHBondContact O-N 3.13Å
56R47.6Very low33.9Very low259 Ų259143 Ų14398%0.97776%0.761SS**  trans-61.3125.7151.8-85.2177.3152.7159.2-6.1107.6
57G36.9Very low33.8Very low57 Ų57139.7 Ų139.759%0.58876%0.756SS**  trans108.6129.9-176.300000110S55S55-G57 PolarHBondContact O-N 3.13Å
58I32.8Very low34Very low161 Ų161135.9 Ų135.983%0.82674%0.74SS**  cis-148.1115.832.8-70.4148.9000105.9A60I58-A60 HydrophobicContact CG2-CB 4.47Å; I58-A60 PolarHBondContact O-N 3.4Å; I58-A60 VanDerWaalsContact O-N 3.12Å
59R29.1Very low34Very low232 Ų232134.5 Ų134.588%0.87574%0.737SS**  trans-77.294.8165.8-172.6-177.2-86.9-143.7-0.8106.1S61R59-S61 PolarHBondContact O-N 2.88Å
60A31.7Very low34.1Very low88 Ų88129.7 Ų129.773%0.72772%0.724SS**  trans-73.376.2171.800000109.3I58 S62I58-A60 HydrophobicContact CG2-CB 4.47Å; I58-A60 PolarHBondContact O-N 3.4Å; I58-A60 VanDerWaalsContact O-N 3.12Å; A60-S62 PolarHBondContact O-N 3.46Å
61S31.9Very low33.9Very low92 Ų92129.8 Ų129.864%0.64373%0.726SS**  trans-89.988.6166.455.90000108.6R59R59-S61 PolarHBondContact O-N 2.88Å
62S31.6Very low33.9Very low96 Ų96127.3 Ų127.367%0.67172%0.718SS**  trans-90.5121166.1-70.50000108.9A60 M64A60-S62 PolarHBondContact O-N 3.46Å; S62-M64 PolarHBondContact O-N 2.89Å
63P29.4Very low34.3Very low123 Ų123125.8 Ų125.880%0.79972%0.718SS**  trans-85.9-1.5-169.5-7.425.8000115.4
64M28Very low34.7Very low162 Ų162127 Ų12780%0.79871%0.708SS**SBendtrans-121.1117.6-172.9-64.7-93.967.700109.4S62 R66S62-M64 PolarHBondContact O-N 2.89Å; M64-R66 PolarHBondContact O-N 3.44Å
65G28.4Very low35Very low55 Ų55121.7 Ų121.757%0.56767%0.671SS**  trans-38.2120.8-169.700000113.8V67G65-V67 PolarHBondContact O-N 2.95Å; G65-V67 VanDerWaalsContact O-N 3.1Å
66R37.9Very low35.5Very low235 Ų235125.5 Ų125.589%0.88768%0.678SS**  trans-56.5114.9169.5-100.3-179177.3153.3-1.2109.1M64 I68M64-R66 PolarHBondContact O-N 3.44Å; R66-I68 PolarHBondContact O-N 2.84Å
67V32.9Very low35.1Very low113 Ų113124.7 Ų124.769%0.68568%0.675SS**  trans-48.5121.4137.4175.10000106.3G65 L69G65-V67 PolarHBondContact O-N 2.95Å; G65-V67 VanDerWaalsContact O-N 3.1Å; V67-L69 VanDerWaalsContact C-N 3.27Å; V67-L69 PolarHBondContact O-N 3Å
68I36.8Very low35.6Very low84 Ų84122.9 Ų122.943%0.43165%0.654SS.*  trans-65.598.7168.5-59.6176.6000105.1R66 I70R66-I68 PolarHBondContact O-N 2.84Å; I68-I70 VanDerWaalsContact C-N 3.33Å; I68-I70 HydrophobicContact CG2-CG1 4.5Å; I68-I70 PolarHBondContact O-N 2.93Å
69L32.2Very low36.4Very low141 Ų141117 Ų11774%0.73863%0.633SS**  trans-67.4100.4168.2-76.1168.2000106.2V67 N71V67-L69 VanDerWaalsContact C-N 3.27Å; V67-L69 PolarHBondContact O-N 3Å; L69-N71 PolarHBondContact O-N 3.45Å
70I37.6Very low37.5Very low89 Ų89107.9 Ų107.946%0.45660%0.602SS.*SBendtrans-66.985.2168.3-56.7173.3000106.4I68 E75 V82I68-I70 VanDerWaalsContact C-N 3.33Å; I68-I70 HydrophobicContact CG2-CG1 4.5Å; I68-I70 PolarHBondContact O-N 2.93Å; I70-E75 VanDerWaalsContact CA-OE2 3.24Å; I70-E75 WeakPolarHBondContact CA-OE2 3.17Å; I70-E75 VanDerWaalsContact CG2-OE2 3.29Å; I70-E75 WeakPolarHBondContact CG2-OE2 3.24Å; I70-V82 HydrophobicContact CD1-CG2 4.41Å
71N33.1Very low38.2Very low154 Ų154106.4 Ų106.482%0.82459%0.585SS**  trans-160.633.4168.2-123.4-12.3000109.9L69 E75L69-N71 PolarHBondContact O-N 3.45Å; N71-E75 PolarHBondContact N-OE2 3.13Å
72S38.4Very low38.8Very low68 Ų68106.5 Ų106.548%0.47658%0.582SS.*SBendtrans-108.6131.4171.6-69.20000109I74 E75S72-I74 PolarHBondContact O-N 2.9Å; S72-E75 PolarHBondContact N-OE2 3.16Å; S72-E75 PolarHBondContact O-N 2.95Å
73P38.7Very low39.5Very low128 Ų128102.9 Ų102.983%0.83156%0.56SS**THydrogen-bonded Turntrans-65.513.2-176.125.7-34.1000115.3
74I39.9Very low40.4Very low87 Ų8798.9 Ų98.945%0.44653%0.531SS..THydrogen-bonded Turntrans-86.4-20.9173.4-74.7167.3000111.6K46 S72K46-I74 HydrophobicContact CB-CD1 4.21Å; S72-I74 PolarHBondContact O-N 2.9Å
75E48.4Very low41.4Very low29 Ų2996.3 Ų96.314%0.13652%0.516CS..G310 helixtrans-81.7-20.9-169.8-69.7161.2151.700113.7I70 N71 S72 R77 A78 G79I70-E75 VanDerWaalsContact CA-OE2 3.24Å; I70-E75 WeakPolarHBondContact CA-OE2 3.17Å; I70-E75 VanDerWaalsContact CG2-OE2 3.29Å; I70-E75 WeakPolarHBondContact CG2-OE2 3.24Å; N71-E75 PolarHBondContact N-OE2 3.13Å; S72-E75 PolarHBondContact N-OE2 3.16Å; S72-E75 PolarHBondContact O-N 2.95Å; E75-R77 PolarHBondContact O-N 3.43Å; E75-A78 PolarHBondContact O-N 3.14Å; E75-G79 PolarHBondContact O-N 2.9Å
76E41.3Very low42.8Very low182 Ų18296.7 Ų96.785%0.8550%0.504SS*.G310 helixtrans-67-24.5179.1-155176.315600112.6
77R40.3Very low43.8Very low243 Ų24386.3 Ų86.392%0.91747%0.467SS*.G310 helixtrans-83.7-12.3173.6-68.5-177.282.6-122.57.3113.8E75E75-R77 PolarHBondContact O-N 3.43Å
78A47.1Very low45Very low18 Ų1884.1 Ų84.115%0.14945%0.45CS..THydrogen-bonded Turntrans-99-10-178.900000112.9R41 L43 E75 L80R41-A78 WeakPolarHBondContact CD-O 3.38Å; R41-A78 PolarHBondContact NE-O 3.16Å; L43-A78 HydrophobicContact CD2-CB 4.08Å; E75-A78 PolarHBondContact O-N 3.14Å; A78-L80 HydrophobicContact CB-CD1 4.34Å; A78-L80 HydrophobicContact CB-CG 4.49Å; A78-L80 PolarHBondContact O-N 3.49Å
79G50.2Low46.2Very low38 Ų3880.1 Ų80.139%0.39243%0.429SS..THydrogen-bonded Turntrans59.733.6174.500000114.1R41 E75R41-G79 PolarHBondContact NE-O 3.43Å; R41-G79 VanDerWaalsContact NE-O 3.15Å; R41-G79 PolarHBondContact NH2-O 2.87Å; E75-G79 PolarHBondContact O-N 2.9Å
80L51.6Low47.4Very low41 Ų4176.4 Ų76.422%0.21541%0.41CS..  trans-90.2131.3171.9-72.9166.9000108.7R41 L43 A78 M114 V116R41-L80 HydrophobicContact CB-CD2 3.9Å; R41-L80 HydrophobicContact CB-CG 4.33Å; R41-L80 HydrophobicContact CG-CD2 3.65Å; R41-L80 HydrophobicContact CG-CG 4.23Å; L43-L80 HydrophobicContact CD1-CD1 4.08Å; L43-L80 HydrophobicContact CD2-CD1 4.27Å; L43-L80 HydrophobicContact CG-CD1 4.11Å; A78-L80 HydrophobicContact CB-CD1 4.34Å; A78-L80 HydrophobicContact CB-CG 4.49Å; A78-L80 PolarHBondContact O-N 3.49Å; L80-M114 HydrophobicContact CD1-CE 4.18Å; L80-V116 HydrophobicContact CD2-CB 4.49Å; L80-V116 HydrophobicContact CD2-CG1 4.38Å; L80-V116 HydrophobicContact CD2-CG2 3.84Å
81C46.7Very low48.3Very low57 Ų5774.9 Ų74.939%0.38542%0.416SS..  trans-112.6152.3-177.9-650000111.2G83 D84C81-G83 PolarHBondContact O-N 3.34Å; C81-D84 PolarHBondContact N-OD2 3.17Å; C81-D84 WeakPolarHBondContact O-CB 3.45Å; C81-D84 VanDerWaalsContact O-CG 3.25Å; C81-D84 PolarHBondContact O-N 2.85Å
82V45Very low49.5Very low94 Ų9471.9 Ų71.957%0.5740%0.399SS*.THydrogen-bonded Turntrans-65.8129.7167.8-178.80000108.7I70 F127I70-V82 HydrophobicContact CD1-CG2 4.41Å; V82-F127 HydrophobicContact CG1-CE1 3.98Å; V82-F127 HydrophobicContact CG1-CZ 3.86Å
83G45.7Very low50.3Low20 Ų2070.9 Ų70.921%0.20639%0.392CS..THydrogen-bonded Turntrans104-0.6-172.300000114.3C81C81-G83 PolarHBondContact O-N 3.34Å
84D48.4Very low51.2Low38 Ų3866.8 Ų66.820%0.20336%0.363CS..EExtended strand (participates in β ladder)trans-82.6125174.5-80.4-2.2000111.2C81 V116C81-D84 PolarHBondContact N-OD2 3.17Å; C81-D84 WeakPolarHBondContact O-CB 3.45Å; C81-D84 VanDerWaalsContact O-CG 3.25Å; C81-D84 PolarHBondContact O-N 2.85Å; D84-V116 HydrophobicContact CB-CG1 3.36Å
85K48.7Very low51.7Low108 Ų10869.6 Ų69.647%0.4738%0.375SS..EExtended strand (participates in β ladder)trans-90.3119.4174.4-171.8177.5-177.2-174.30109T87 V116 R117 M119K85-T87 PolarHBondContact O-N 2.88Å; K85-V116 WeakPolarHBondContact O-CA 3.49Å; K85-R117 PolarHBondContact N-O 3.07Å; K85-R117 PolarHBondContact O-N 3.4Å; K85-M119 HydrophobicContact CB-CE 4.36Å; K85-M119 HydrophobicContact CB-CG 3.81Å; K85-M119 HydrophobicContact CD-CE 4.16Å
86I58.6Low51.8Low63 Ų6373.6 Ų73.632%0.32341%0.406SS..EExtended strand (participates in β ladder)trans-74111.9171.1-53.2174.3000107.2V89 L94 M114 V116I86-V89 HydrophobicContact CG2-CG2 3.67Å; I86-L94 HydrophobicContact CG2-CD1 4.01Å; I86-M114 HydrophobicContact CD1-SD 4.3Å; I86-M114 HydrophobicContact CG2-CB 4.43Å; I86-V116 HydrophobicContact CG1-CG2 4.31Å
87T57.7Low52.1Low18 Ų1867.2 Ų67.211%0.1138%0.379CS..EExtended strand (participates in β ladder)trans-92-32.9179.653.20000110.8K85 L94 M115 R117K85-T87 PolarHBondContact O-N 2.88Å; T87-L94 PolarHBondContact O-N 2.97Å; T87-M115 PolarHBondContact N-O 2.96Å; T87-M115 PolarHBondContact OG1-O 3.42Å; T87-R117 HydrophobicContact CG2-CB 4.04Å
88E59.2Low52.7Low67 Ų6760.1 Ų60.131%0.31336%0.363SS..EExtended strand (participates in β ladder)trans-143.1148.7-177.5-49.6-179.3167.600112.6L92 M114 M115E88-L92 CarbonylContact C-O 3.59Å; E88-L92 VanDerWaalsContact CA-O 3.27Å; E88-L92 WeakPolarHBondContact CA-O 3.34Å; E88-M114 CarbonylContact O-C 3.43Å; E88-M114 VanDerWaalsContact O-CA 3.3Å; E88-M114 WeakPolarHBondContact O-CA 3.35Å; E88-M115 HydrophobicContact CB-CB 3.79Å; E88-M115 HydrophobicContact CG-CB 4.07Å; E88-M115 PolarHBondContact N-O 2.88Å; E88-M115 PolarHBondContact O-N 3.46Å
89V61Low52.7Low0 Ų066.6 Ų66.60%039%0.392CS..EExtended strand (participates in β ladder)trans-134.4123.3173.7-179.60000109.4I86 G91 L92 L94 L106 L112 H113 M114I86-V89 HydrophobicContact CG2-CG2 3.67Å; V89-G91 PolarHBondContact O-N 2.85Å; V89-L92 PolarHBondContact N-O 2.83Å; V89-L92 WeakPolarHBondContact O-CB 3.11Å; V89-L92 PolarHBondContact O-N 3.12Å; V89-L94 HydrophobicContact CB-CD1 4.48Å; V89-L94 HydrophobicContact CG2-CD1 3.55Å; V89-L94 HydrophobicContact CG2-CG 4.26Å; V89-L106 HydrophobicContact CG1-CD2 4.15Å; V89-L106 HydrophobicContact CG2-CD2 4.03Å; V89-L112 HydrophobicContact CG1-CD2 4.07Å; V89-H113 CarbonylContact C-O 3.6Å; V89-M114 HydrophobicContact CG1-CG 4.41Å; V89-M114 HydrophobicContact CG2-CG 4.14Å
90N58.8Low52.5Low63 Ų6367.1 Ų67.134%0.33740%0.397SS..THydrogen-bonded Turntrans5135.8-177.3-61.9-37.1000113.6L112 H113N90-L112 WeakPolarHBondContact ND2-CD2 3.35Å; N90-H113 PolarHBondContact N-O 2.87Å; N90-H113 PolarHBondContact OD1-N 2.82Å
91G56.4Low52.6Low57 Ų5767.8 Ų67.859%0.58841%0.405SS*.THydrogen-bonded Turntrans83.59.6-178.900000114.9V89V89-G91 PolarHBondContact O-N 2.85Å
92L57.2Low52.9Low90 Ų9065.9 Ų65.947%0.47139%0.394SS..EExtended strand (participates in β ladder)trans-111.1126.5176.3-65.6170.1000110.9E88 V89 L105E88-L92 CarbonylContact C-O 3.59Å; E88-L92 VanDerWaalsContact CA-O 3.27Å; E88-L92 WeakPolarHBondContact CA-O 3.34Å; V89-L92 PolarHBondContact N-O 2.83Å; V89-L92 WeakPolarHBondContact O-CB 3.11Å; V89-L92 PolarHBondContact O-N 3.12Å; L92-L105 HydrophobicContact CB-CD1 4Å; L92-L105 HydrophobicContact CD1-CD1 3.68Å; L92-L105 HydrophobicContact CD1-CD2 3.42Å; L92-L105 VanDerWaalsContact CD1-CD2 3.42Å; L92-L105 HydrophobicContact CD1-CG 4.19Å
93S55.4Low53.2Low47 Ų4764.1 Ų64.133%0.32938%0.383SS..EExtended strand (participates in β ladder)trans-70.3135.9178.1177.10000111.7E95 T97S93-E95 PolarHBondContact OG-N 3.2Å; S93-T97 PolarHBondContact O-OG1 2.86Å
94L57.1Low53.7Low42 Ų4272.8 Ų72.822%0.2241%0.41CS..  trans-97.41.1179.1-67.8-178.1000113.5I86 T87 V89 S96 T97 A102 L105I86-L94 HydrophobicContact CG2-CD1 4.01Å; T87-L94 PolarHBondContact O-N 2.97Å; V89-L94 HydrophobicContact CB-CD1 4.48Å; V89-L94 HydrophobicContact CG2-CD1 3.55Å; V89-L94 HydrophobicContact CG2-CG 4.26Å; L94-S96 VanDerWaalsContact C-N 3.31Å; L94-S96 PolarHBondContact O-N 2.84Å; L94-T97 HydrophobicContact CD2-CG2 4.15Å; L94-T97 PolarHBondContact O-N 2.92Å; L94-A102 HydrophobicContact CD2-CB 4.14Å; L94-L105 HydrophobicContact CD2-CD1 4.42Å
95E51.9Low54.2Low146 Ų14672.8 Ų72.868%0.68241%0.409SS*.SBendtrans-68.1-26.2-171.9-64.9-177.112100114.2S93S93-E95 PolarHBondContact OG-N 3.2Å
96S48.8Very low54.6Low114 Ų11470.4 Ų70.480%0.79740%0.402SS*.SBendtrans-12712.2177.459.70000113.2L94L94-S96 VanDerWaalsContact C-N 3.31Å; L94-S96 PolarHBondContact O-N 2.84Å
97T49Very low54.3Low47 Ų4772.6 Ų72.629%0.28842%0.418SS..  trans-81.3130.9-173.1-700000111.2S93 L94 S101 A102S93-T97 PolarHBondContact O-OG1 2.86Å; L94-T97 HydrophobicContact CD2-CG2 4.15Å; L94-T97 PolarHBondContact O-N 2.92Å; T97-S101 VanDerWaalsContact CG2-CB 3.44Å; T97-A102 HydrophobicContact CG2-CB 4.22Å
98T51.9Low53.8Low95 Ų9576.1 Ų76.158%0.58344%0.444SS*.  trans-64147.8175.1590000111.2G100 S101 A102T98-G100 PolarHBondContact O-N 2.82Å; T98-G100 VanDerWaalsContact O-N 3.12Å; T98-S101 WeakPolarHBondContact O-CB 3.49Å; T98-S101 PolarHBondContact O-N 2.9Å; T98-S101 PolarHBondContact OG1-OG 3.16Å; T98-A102 PolarHBondContact O-N 3.4Å
99M47.9Very low53.3Low154 Ų15475.2 Ų75.276%0.75944%0.444SS*.Hα-helixtrans-50.9-41.7-178.1-175.664.37000112.8S101 A102 V103M99-S101 VanDerWaalsContact C-N 3.35Å; M99-S101 PolarHBondContact O-N 3Å; M99-A102 PolarHBondContact O-N 2.97Å; M99-V103 VanDerWaalsContact O-CG2 3.27Å; M99-V103 WeakPolarHBondContact O-CG2 3.25Å; M99-V103 PolarHBondContact O-N 3.38Å
100G45.7Very low52.7Low48 Ų4879 Ų7950%0.49547%0.471SS..Hα-helixtrans-63.3-37.9178.600000113.5T98 R104T98-G100 PolarHBondContact O-N 2.82Å; T98-G100 VanDerWaalsContact O-N 3.12Å; G100-R104 PolarHBondContact O-N 3.32Å; G100-R104 VanDerWaalsContact O-N 3.15Å
101S54Low51.8Low55 Ų5578.8 Ų78.839%0.38547%0.474SS..Hα-helixtrans-71-41.8176.4-66.30000111.4T97 T98 M99 V103 R104 L105T97-S101 VanDerWaalsContact CG2-CB 3.44Å; T98-S101 WeakPolarHBondContact O-CB 3.49Å; T98-S101 PolarHBondContact O-N 2.9Å; T98-S101 PolarHBondContact OG1-OG 3.16Å; M99-S101 VanDerWaalsContact C-N 3.35Å; M99-S101 PolarHBondContact O-N 3Å; S101-V103 VanDerWaalsContact C-N 3.33Å; S101-V103 PolarHBondContact O-N 3.04Å; S101-R104 PolarHBondContact O-N 3.33Å; S101-L105 WeakPolarHBondContact O-CG 3.37Å; S101-L105 PolarHBondContact O-N 2.98Å
102A51.8Low51.6Low17 Ų1777 Ų7714%0.1445%0.451CS..Hα-helixtrans-60.4-42.2175.500000112L94 T97 T98 M99 L105 L106L94-A102 HydrophobicContact CD2-CB 4.14Å; T97-A102 HydrophobicContact CG2-CB 4.22Å; T98-A102 PolarHBondContact O-N 3.4Å; M99-A102 PolarHBondContact O-N 2.97Å; A102-L105 PolarHBondContact O-N 3.37Å; A102-L106 WeakPolarHBondContact O-CB 3.29Å; A102-L106 VanDerWaalsContact O-CG 3.32Å; A102-L106 WeakPolarHBondContact O-CG 3.37Å; A102-L106 PolarHBondContact O-N 3.49Å
103V53.1Low51.2Low58 Ų5876 Ų7635%0.35244%0.444SS..Hα-helixtrans-63.6-41.9176.4171.50000111.6M99 S101 T107M99-V103 VanDerWaalsContact O-CG2 3.27Å; M99-V103 WeakPolarHBondContact O-CG2 3.25Å; M99-V103 PolarHBondContact O-N 3.38Å; S101-V103 VanDerWaalsContact C-N 3.33Å; S101-V103 PolarHBondContact O-N 3.04Å; V103-T107 WeakPolarHBondContact O-CB 3.42Å; V103-T107 PolarHBondContact O-N 3.12Å; V103-T107 VanDerWaalsContact O-N 3.08Å; V103-T107 PolarHBondContact O-OG1 2.84Å
104R55.9Low51.1Low201 Ų20173.9 Ų73.976%0.75843%0.429SS*.Hα-helixtrans-62.7-41.9175.8-75.5-179.7103160.24.4111.5G100 S101 T107 S108G100-R104 PolarHBondContact O-N 3.32Å; G100-R104 VanDerWaalsContact O-N 3.15Å; S101-R104 PolarHBondContact O-N 3.33Å; R104-T107 PolarHBondContact O-N 3.01Å; R104-S108 WeakPolarHBondContact O-CB 3.23Å; R104-S108 PolarHBondContact O-N 3.49Å; R104-S108 PolarHBondContact O-OG 3.01Å; R104-S108 VanDerWaalsContact O-OG 3.07Å
105L57.6Low50.6Low38 Ų3874.5 Ų74.520%0.19943%0.431CS..Hα-helixtrans-68.3-38.5-179.4-68177.8000113.5L92 L94 S101 A102 T107 S108L92-L105 HydrophobicContact CB-CD1 4Å; L92-L105 HydrophobicContact CD1-CD1 3.68Å; L92-L105 HydrophobicContact CD1-CD2 3.42Å; L92-L105 VanDerWaalsContact CD1-CD2 3.42Å; L92-L105 HydrophobicContact CD1-CG 4.19Å; L94-L105 HydrophobicContact CD2-CD1 4.42Å; S101-L105 WeakPolarHBondContact O-CG 3.37Å; S101-L105 PolarHBondContact O-N 2.98Å; A102-L105 PolarHBondContact O-N 3.37Å; L105-T107 VanDerWaalsContact C-N 3.31Å; L105-S108 PolarHBondContact O-OG 3.5Å
106L57.7Low50.8Low58 Ų5867.7 Ų67.730%0.30440%0.399SS..Hα-helixtrans-74.2-23.9177.6-69.2169.3000112.7V89 A102 L112V89-L106 HydrophobicContact CG1-CD2 4.15Å; V89-L106 HydrophobicContact CG2-CD2 4.03Å; A102-L106 WeakPolarHBondContact O-CB 3.29Å; A102-L106 VanDerWaalsContact O-CG 3.32Å; A102-L106 WeakPolarHBondContact O-CG 3.37Å; A102-L106 PolarHBondContact O-N 3.49Å; L106-L112 HydrophobicContact CD2-CD1 4.04Å
107T52.1Low50.7Low110 Ų11067.4 Ų67.468%0.67538%0.381SS*.Hα-helixtrans-104.7-16.3-174.2-45.80000113.1V103 R104 L105V103-T107 WeakPolarHBondContact O-CB 3.42Å; V103-T107 PolarHBondContact O-N 3.12Å; V103-T107 VanDerWaalsContact O-N 3.08Å; V103-T107 PolarHBondContact O-OG1 2.84Å; R104-T107 PolarHBondContact O-N 3.01Å; L105-T107 VanDerWaalsContact C-N 3.31Å
108S47.6Very low50.6Low92 Ų9273.3 Ų73.364%0.64340%0.398SS*.SBendtrans-76.8-22.8-175.760.50000114.4R104 L105R104-S108 WeakPolarHBondContact O-CB 3.23Å; R104-S108 PolarHBondContact O-N 3.49Å; R104-S108 PolarHBondContact O-OG 3.01Å; R104-S108 VanDerWaalsContact O-OG 3.07Å; L105-S108 PolarHBondContact O-OG 3.5Å
109S48.4Very low50Low47 Ų4772.5 Ų72.533%0.32939%0.389SS..  trans-119.1140.6-172.8-174.30000112.5C111S109-C111 WeakPolarHBondContact CB-O 3.33Å; S109-C111 PolarHBondContact O-N 3.46Å; S109-C111 PolarHBondContact OG-N 2.87Å; S109-C111 PolarHBondContact OG-O 2.8Å
110S48.6Very low50Low80 Ų8067.6 Ų67.656%0.55938%0.377SS*.SBendtrans-74.2-14.4171.752.10000113.4R45R45-S110 PolarHBondContact N-O 3.35Å
111C40Very low49.7Very low59 Ų5977.3 Ų77.340%0.39940%0.399SS..EExtended strand (participates in β ladder)trans-133.2121.8-180-53.40000108.8L44 S109L44-C111 HydrophobicContact CD1-CB 4.36Å; L44-C111 WeakPolarHBondContact CD1-SG 3.34Å; S109-C111 WeakPolarHBondContact CB-O 3.33Å; S109-C111 PolarHBondContact O-N 3.46Å; S109-C111 PolarHBondContact OG-N 2.87Å; S109-C111 PolarHBondContact OG-O 2.8Å
112L52.1Low48.9Very low20 Ų2077.5 Ų77.511%0.10540%0.398CS..EExtended strand (participates in β ladder)trans-109.7118.8179.5-61.7176.1000109.6Y42 L43 V89 N90 L106 M114Y42-L112 WeakPolarHBondContact CA-O 3.5Å; L43-L112 PolarHBondContact N-O 3.38Å; L43-L112 PolarHBondContact O-N 3.04Å; V89-L112 HydrophobicContact CG1-CD2 4.07Å; N90-L112 WeakPolarHBondContact ND2-CD2 3.35Å; L106-L112 HydrophobicContact CD2-CD1 4.04Å; L112-M114 HydrophobicContact CB-CE 4.5Å; L112-M114 HydrophobicContact CB-CG 4.11Å; L112-M114 HydrophobicContact CB-SD 4.27Å
113H48.5Very low48.1Very low68 Ų6882.6 Ų82.632%0.31543%0.429SS..EExtended strand (participates in β ladder)trans-91.8113.5168.8-179.9-126000108.3T40 Y42 V89 N90T40-H113 WeakPolarHBondContact CG2-NE2 3.49Å; Y42-H113 HydrophobicContact CD1-CB 4.44Å; Y42-H113 AromaticContact CD1-CD2 3.77Å; Y42-H113 HydrophobicContact CE1-CB 4.32Å; Y42-H113 AromaticContact CE1-CD2 3.14Å; Y42-H113 WeakPolarHBondContact CE1-CD2 3.45Å; Y42-H113 AromaticContact CE1-CG 3.99Å; Y42-H113 AromaticContact CE1-NE2 3.9Å; Y42-H113 AromaticContact CZ-CD2 3.33Å; Y42-H113 AromaticContact CZ-NE2 3.64Å; Y42-H113 PolarHBondContact OH-NE2 2.77Å; V89-H113 CarbonylContact C-O 3.6Å; N90-H113 PolarHBondContact N-O 2.87Å; N90-H113 PolarHBondContact OD1-N 2.82Å
114M54.1Low47.4Very low3 Ų383.6 Ų83.62%0.01545%0.452CS..EExtended strand (participates in β ladder)trans-123138.1-171.7-58.5-179.4-72.700110.6R41 L43 L80 I86 E88 V89 L112 V116R41-M114 PolarHBondContact N-O 2.94Å; R41-M114 PolarHBondContact O-N 3.35Å; L43-M114 HydrophobicContact CB-CE 4Å; L43-M114 HydrophobicContact CD1-CE 3.34Å; L43-M114 HydrophobicContact CG-CE 3.55Å; L80-M114 HydrophobicContact CD1-CE 4.18Å; I86-M114 HydrophobicContact CD1-SD 4.3Å; I86-M114 HydrophobicContact CG2-CB 4.43Å; E88-M114 CarbonylContact O-C 3.43Å; E88-M114 VanDerWaalsContact O-CA 3.3Å; E88-M114 WeakPolarHBondContact O-CA 3.35Å; V89-M114 HydrophobicContact CG1-CG 4.41Å; V89-M114 HydrophobicContact CG2-CG 4.14Å; L112-M114 HydrophobicContact CB-CE 4.5Å; L112-M114 HydrophobicContact CB-CG 4.11Å; L112-M114 HydrophobicContact CB-SD 4.27Å; M114-V116 HydrophobicContact CB-CG2 4.28Å
115M45.7Very low46.4Very low54 Ų5479.1 Ų79.127%0.26644%0.442SS..EExtended strand (participates in β ladder)trans-100128.3168.4-163.7170.1-73.300108.6T38 T87 E88T38-M115 HydrophobicContact CG2-CG 3.33Å; T38-M115 HydrophobicContact CG2-SD 3.44Å; T38-M115 WeakPolarHBondContact CG2-SD 3.25Å; T87-M115 PolarHBondContact N-O 2.96Å; T87-M115 PolarHBondContact OG1-O 3.42Å; E88-M115 HydrophobicContact CB-CB 3.79Å; E88-M115 HydrophobicContact CG-CB 4.07Å; E88-M115 PolarHBondContact N-O 2.88Å; E88-M115 PolarHBondContact O-N 3.46Å
116V55.7Low45.4Very low4 Ų485.6 Ų85.62%0.02447%0.468CS..EExtended strand (participates in β ladder)trans-130.3130.8-170.9179.30000108.4A39 R41 L80 D84 K85 I86 M114A39-V116 PolarHBondContact N-O 3.21Å; A39-V116 PolarHBondContact O-N 2.84Å; R41-V116 HydrophobicContact CG-CG2 4.41Å; L80-V116 HydrophobicContact CD2-CB 4.49Å; L80-V116 HydrophobicContact CD2-CG1 4.38Å; L80-V116 HydrophobicContact CD2-CG2 3.84Å; D84-V116 HydrophobicContact CB-CG1 3.36Å; K85-V116 WeakPolarHBondContact O-CA 3.49Å; I86-V116 HydrophobicContact CG1-CG2 4.31Å; M114-V116 HydrophobicContact CB-CG2 4.28Å
117R48Very low44.3Very low107 Ų10790.8 Ų90.840%0.40449%0.489SS..EExtended strand (participates in β ladder)trans-110.7128.5177-175.9168.9164.8179.52.2109.5K85 T87 M119K85-R117 PolarHBondContact N-O 3.07Å; K85-R117 PolarHBondContact O-N 3.4Å; T87-R117 HydrophobicContact CG2-CB 4.04Å; R117-M119 HydrophobicContact CB-CE 3.86Å; R117-M119 VanDerWaalsContact CD-CE 3.42Å; R117-M119 HydrophobicContact CG-CE 3.55Å; R117-M119 HydrophobicContact CG-SD 4.11Å; R117-M119 PolarHBondContact O-N 3.4Å
118R46.1Very low43.4Very low171 Ų17190 Ų9065%0.64549%0.487SS*.EExtended strand (participates in β ladder)trans-76.7110.1-178.7-158.1175.7-156.5174.35.1108.9S37S37-R118 PolarHBondContact O-N 3.4Å
119M40.3Very low42.6Very low79 Ų7995.6 Ų95.639%0.38950%0.5SS..  trans-99.18.4-174.4-65.1-60.9-175.900113.8K85 R117 V122K85-M119 HydrophobicContact CB-CE 4.36Å; K85-M119 HydrophobicContact CB-CG 3.81Å; K85-M119 HydrophobicContact CD-CE 4.16Å; R117-M119 HydrophobicContact CB-CE 3.86Å; R117-M119 VanDerWaalsContact CD-CE 3.42Å; R117-M119 HydrophobicContact CG-CE 3.55Å; R117-M119 HydrophobicContact CG-SD 4.11Å; R117-M119 PolarHBondContact O-N 3.4Å; M119-V122 HydrophobicContact CB-CG2 4.37Å
120G47Very low41.8Very low51 Ų51101.5 Ų101.553%0.52652%0.523SS..  trans68.3-155.1-179.600000113.3V122G120-V122 PolarHBondContact O-N 3.29Å
121R39.8Very low40.9Very low251 Ų251107.5 Ų107.595%0.94754%0.539SS*.SBendtrans-64.7103.1171.9-89.7-173.4174.7-175.1-0.7108.2P123R121-P123 WeakPolarHBondContact O-CD 3.36Å
122V37.3Very low40.6Very low60 Ų60110.2 Ų110.236%0.36455%0.553SS.*  trans-71.7110.8172.2-171.40000108M119 G120 G124 I125M119-V122 HydrophobicContact CB-CG2 4.37Å; G120-V122 PolarHBondContact O-N 3.29Å; V122-G124 PolarHBondContact O-N 3.48Å; V122-I125 HydrophobicContact CB-CD1 3.76Å; V122-I125 HydrophobicContact CB-CG1 4.18Å; V122-I125 HydrophobicContact CG1-CD1 3.66Å; V122-I125 HydrophobicContact CG1-CG1 3.91Å; V122-I125 HydrophobicContact CG2-CD1 4.23Å
123P34.2Very low39.8Very low123 Ų123113.8 Ų113.880%0.79958%0.577SS**THydrogen-bonded Turntrans-64.3132.917427.5-30.9000108.6R121R121-P123 WeakPolarHBondContact O-CD 3.36Å
124G39Very low38.9Very low80 Ų80120 Ų12083%0.82560%0.597SS**THydrogen-bonded Turntrans102.9-2.1172.100000117.4V122V122-G124 PolarHBondContact O-N 3.48Å
125I34.3Very low37.8Very low106 Ų106123.4 Ų123.454%0.54462%0.618SS.*  trans-94.3103.5173.8-47.6178.3000109.9V122V122-I125 HydrophobicContact CB-CD1 3.76Å; V122-I125 HydrophobicContact CB-CG1 4.18Å; V122-I125 HydrophobicContact CG1-CD1 3.66Å; V122-I125 HydrophobicContact CG1-CG1 3.91Å; V122-I125 HydrophobicContact CG2-CD1 4.23Å
126K37.2Very low37.2Very low175 Ų175123.2 Ų123.276%0.76162%0.618SS**PPolyproline II helixtrans-98.2129.6168.7-67.9-178.9-178.3170.40109.9
127F34.1Very low36.1Very low167 Ų167129.2 Ų129.273%0.73265%0.654SS**PPolyproline II helixtrans-67.1127.3174.9-59.8-92.4000110.4V82V82-F127 HydrophobicContact CG1-CE1 3.98Å; V82-F127 HydrophobicContact CG1-CZ 3.86Å
128S34.3Very low35.3Very low92 Ų92130.3 Ų130.364%0.64367%0.673SS**PPolyproline II helixtrans-87.5127.3170-176.20000110.2E130S128-E130 PolarHBondContact OG-N 3.46Å
129K30.7Very low34.9Very low210 Ų210127.4 Ų127.491%0.91367%0.67SS**  trans-90.6-0.3170.9-76.1-176.4177.6179.50113
130E30.9Very low34.7Very low172 Ų172132.5 Ų132.580%0.80469%0.685SS**  trans-104.2140.1-165.1-70.7-178.4161.500114.4S128S128-E130 PolarHBondContact OG-N 3.46Å
131K30Very low34.3Very low205 Ų205137.5 Ų137.589%0.89169%0.688SS**PPolyproline II helixtrans-74.3132.6-171.6-77.4176.8175.6173.30112T133K131-T133 PolarHBondContact O-N 3.25Å
132T33.4Very low34.3Very low116 Ų116127.9 Ų127.971%0.71266%0.655SS**PPolyproline II helixtrans-52.2128.2170-46.50000112
133T34.6Very low34.6Very low96 Ų96129.2 Ų129.259%0.58966%0.663SS**PPolyproline II helixtrans-88.3139.8171.939.90000111.2K131K131-T133 PolarHBondContact O-N 3.25Å
134W30.7Very low35.2Very low199 Ų199127.6 Ų127.675%0.75465%0.651SS**PPolyproline II helixtrans-98.3147.4-178.2-61.988.7000110.9
135V31.3Very low34.9Very low73 Ų73133 Ų13344%0.44266%0.655SS.*EExtended strand (participates in β ladder)trans-106.6131.1179.2-174.60000109V137 L142V135-V137 PolarHBondContact O-N 3.06Å; V135-L142 HydrophobicContact CG2-CG 4.44Å
136D33.2Very low34.7Very low51 Ų51135.3 Ų135.327%0.27366%0.66SS.*EExtended strand (participates in β ladder)trans-82.9107.6170.8-178.9-24.6000108.8V138 N139 R140 R141 V143D136-V138 VanDerWaalsContact C-N 3.3Å; D136-V138 WeakPolarHBondContact OD1-CA 3.45Å; D136-V138 WeakPolarHBondContact OD1-CB 3.08Å; D136-V138 PolarHBondContact OD1-N 3.29Å; D136-N139 PolarHBondContact OD1-N 3.15Å; D136-N139 PolarHBondContact OD2-ND2 3.12Å; D136-R140 PolarHBondContact O-N 2.72Å; D136-R141 PolarHBondContact N-O 2.9Å; D136-R141 VanDerWaalsContact N-O 3.13Å; D136-R141 PolarHBondContact O-N 3.17Å; D136-V143 HydrophobicContact CB-CG2 3.73Å
137V30.9Very low34.4Very low130 Ų130133 Ų13379%0.78867%0.665SS**THydrogen-bonded Turntrans-75.7-19.1-175.6-175.30000112V135V135-V137 PolarHBondContact O-N 3.06Å
138V33Very low34.6Very low130 Ų130130.3 Ų130.379%0.78867%0.667SS**THydrogen-bonded Turntrans-84-36.6-178.6-178.20000110.7D136D136-V138 VanDerWaalsContact C-N 3.3Å; D136-V138 WeakPolarHBondContact OD1-CA 3.45Å; D136-V138 WeakPolarHBondContact OD1-CB 3.08Å; D136-V138 PolarHBondContact OD1-N 3.29Å
139N36.3Very low34.6Very low110 Ų110131.1 Ų131.159%0.58867%0.673SS**THydrogen-bonded Turntrans-99.94.2-176-68.8-64.8000114.8D136 R141D136-N139 PolarHBondContact OD1-N 3.15Å; D136-N139 PolarHBondContact OD2-ND2 3.12Å; N139-R141 PolarHBondContact O-N 3.21Å; N139-R141 VanDerWaalsContact O-N 3.16Å
140R36.8Very low34.8Very low185 Ų185127.7 Ų127.770%0.69867%0.669SS**THydrogen-bonded Turntrans49.137.7-174.1-60.3-172.2-177-159.94.8113D136 G186 L187D136-R140 PolarHBondContact O-N 2.72Å; R140-G186 PolarHBondContact NH1-O 3.28Å; R140-L187 HydrophobicContact CB-CD2 4.38Å
141R38.6Very low36.1Very low156 Ų156125.3 Ų125.359%0.58967%0.669SS**EExtended strand (participates in β ladder)trans-133.3141.1-174.7-170.3176.5170.2-177.6-3.9111.2D136 N139 V143D136-R141 PolarHBondContact N-O 2.9Å; D136-R141 VanDerWaalsContact N-O 3.13Å; D136-R141 PolarHBondContact O-N 3.17Å; N139-R141 PolarHBondContact O-N 3.21Å; N139-R141 VanDerWaalsContact O-N 3.16Å; R141-V143 PolarHBondContact O-N 3.43Å
142L40.2Very low36.2Very low50 Ų50120.9 Ų120.926%0.26266%0.664SS.*EExtended strand (participates in β ladder)trans-69.4127.2164.6-98.991.2000109.3V135 V144 R180V135-L142 HydrophobicContact CG2-CG 4.44Å; L142-V144 HydrophobicContact CB-CG2 4.35Å; L142-V144 HydrophobicContact CD2-CG2 4.38Å; L142-V144 PolarHBondContact O-N 3.22Å; L142-R180 VanDerWaalsContact CD1-NH1 3.26Å
143V42.1Very low36.2Very low88 Ų88123 Ų12353%0.53367%0.671SS.*  trans-76.481.3163.5-172.60000106.9D136 R141D136-V143 HydrophobicContact CB-CG2 3.73Å; R141-V143 PolarHBondContact O-N 3.43Å
144V48.1Very low36.8Very low88 Ų88129.6 Ų129.653%0.53369%0.685SS.*  trans-88.6120.4153.7170.40000104.8L142 K146L142-V144 HydrophobicContact CB-CG2 4.35Å; L142-V144 HydrophobicContact CD2-CG2 4.38Å; L142-V144 PolarHBondContact O-N 3.22Å; V144-K146 PolarHBondContact O-N 2.95Å
145E32.2Very low37.2Very low195 Ų195125.6 Ų125.691%0.91169%0.687SS**  trans-49.7111.8166.8-85.9-170.8117.300107.8
146K31.2Very low37.8Very low153 Ų153127.6 Ų127.667%0.66570%0.704SS**  trans-116.6119.4-178.3-158.8179.6-177.7-177.40107.2V144 S148V144-K146 PolarHBondContact O-N 2.95Å; K146-S148 PolarHBondContact O-N 3.37Å
147C29.9Very low38.4Very low127 Ų127131.9 Ų131.986%0.85872%0.723SS**  trans-58.8134.5160.5-870000109
148S38.3Very low39.3Very low111 Ų111131.2 Ų131.278%0.77672%0.715SS**  trans-47133.2-166.149.70000116.7K146K146-S148 PolarHBondContact O-N 3.37Å
149S33.7Very low40.5Very low109 Ų109125.7 Ų125.776%0.76268%0.684SS**  trans-170.4145.9130.823.20000111
150T34.9Very low42.1Very low137 Ų137125.2 Ų125.284%0.8469%0.685SS**  trans-77.3168.5-157.338.60000116
151P58.4Low44.4Very low123 Ų123123.2 Ų123.280%0.79968%0.677SS**  trans-99.8128.1-16935.8-25.7000112.8
152S33.1Very low46.7Very low111 Ų111120.1 Ų120.178%0.77667%0.666SS**  trans-174.110715945.30000108.1
153D33.3Very low49Very low161 Ų161122.9 Ų122.986%0.86168%0.68SS**  174144.797.7-134.4-33.1000111.2S155D153-S155 PolarHBondContact O-N 2.86Å
154R46.1Very low51.1Low235 Ų235119.2 Ų119.289%0.88766%0.657SS**  trans-89.496.6176.5-71.2178.5176.3-177.4-0.7108.7
155S40.1Very low52.9Low114 Ų114118.5 Ų118.580%0.79765%0.648SS**  trans165129.2144.6-86.10000111.1D153D153-S155 PolarHBondContact O-N 2.86Å
156S42.6Very low55.3Low115 Ų115109.2 Ų109.280%0.80461%0.605SS**  trans133.477.9159.4-60.20000109.8D158S156-D158 PolarHBondContact O-N 3.32Å
157E47.6Very low57.7Low142 Ų142108.9 Ų108.966%0.66460%0.6SS**  trans-7243.6178.2-79.3-94.676.200113K242E157-K242 IonicContact OE1-NZ 3.06Å; E157-K242 PolarHBondContact OE1-NZ 3.38Å
158D49.5Very low59.5Low115 Ų115103.7 Ų103.762%0.61557%0.565SS**  trans-122.863.2176.5-119.6-80.7000110.1S156 V160S156-D158 PolarHBondContact O-N 3.32Å; D158-V160 PolarHBondContact O-N 3.47Å
159G58.6Low60.8Low15 Ų15102.6 Ų102.616%0.15555%0.554CS.*  trans-62.3128.7152.600000107.3R161G159-R161 WeakPolarHBondContact O-CG 3.34Å; G159-R161 PolarHBondContact O-N 2.93Å
160V68.8Low61.8Low99 Ų99101.4 Ų101.460%0.655%0.545SS*.  trans-47.8108.2-175.8-179.70000109.6D158 G243D158-V160 PolarHBondContact O-N 3.47Å; V160-G243 PolarHBondContact O-N 3.37Å
161R84.8Confident62.7Low143 Ų143101.8 Ų101.854%0.5454%0.542SS..EExtended strand (participates in β ladder)trans-82.9132.4174.8-58.6-177.4-169.6-169.20.9107.7G159 L212 I241G159-R161 WeakPolarHBondContact O-CG 3.34Å; G159-R161 PolarHBondContact O-N 2.93Å; R161-L212 HydrophobicContact CG-CD1 4.23Å; R161-I241 CarbonylContact C-O 3.56Å; R161-I241 WeakPolarHBondContact CA-O 3.25Å
162R88.4Confident62.7Low92 Ų92100.7 Ų100.735%0.34753%0.53SS..EExtended strand (participates in β ladder)trans-131.1148.6175.668.1-179.396.3146.411.7110.3V164 G204 I241R162-V164 HydrophobicContact CG-CG2 4.12Å; R162-G204 PolarHBondContact NH1-O 2.82Å; R162-I241 HydrophobicContact CG-CB 4.24Å; R162-I241 PolarHBondContact N-O 2.73Å; R162-I241 PolarHBondContact O-N 2.82Å
163I87.3Confident64Low108 Ų108100.8 Ų100.855%0.55452%0.516SS*.EExtended strand (participates in β ladder)trans-97.1128.6173.1-58.6175.4000107.2M238 L239I163-M238 HydrophobicContact CG2-CG 3.53Å; I163-M238 HydrophobicContact CG2-SD 3.99Å; I163-L239 CarbonylContact C-O 3.51Å; I163-L239 WeakPolarHBondContact CA-O 3.46Å
164V87.7Confident65.9Low10 Ų1097.7 Ų97.76%0.06151%0.506CS..EExtended strand (participates in β ladder)trans-120127178.8-177.90000108.2R162 L166 N203 I205 M238 L239 I241R162-V164 HydrophobicContact CG-CG2 4.12Å; V164-L166 HydrophobicContact CG1-CD2 3.93Å; V164-L166 HydrophobicContact CG1-CG 4.28Å; V164-N203 HydrophobicContact CG1-CB 3.68Å; V164-I205 HydrophobicContact CG1-CD1 4.23Å; V164-I205 HydrophobicContact CG1-CG1 4.25Å; V164-M238 WeakPolarHBondContact O-CA 3.42Å; V164-L239 PolarHBondContact N-O 3.24Å; V164-L239 PolarHBondContact O-N 2.81Å; V164-I241 HydrophobicContact CG2-CG1 4.21Å
165H85.4Confident67.4Low73 Ų7387.4 Ų87.434%0.33847%0.468SS..EExtended strand (participates in β ladder)trans-103.8120.9174.7-67.1-91.7000109.1Y167 N203 H236 I237 M238H165-Y167 HydrophobicContact CB-CE2 3.76Å; H165-N203 PolarHBondContact O-OD1 3.12Å; H165-H236 AromaticContact CG-NE2 3.87Å; H165-H236 AromaticContact ND1-CE1 3.67Å; H165-H236 AromaticContact ND1-NE2 3.21Å; H165-H236 PolarHBondContact ND1-NE2 3.1Å; H165-I237 WeakPolarHBondContact CA-O 3.16Å; H165-M238 VanDerWaalsContact CE1-CG 3.48Å; H165-M238 WeakPolarHBondContact CE1-CG 3.05Å; H165-M238 PolarHBondContact CE1-SD 3.33Å
166L82.6Confident69.4Low0 Ų082.4 Ų82.40%044%0.435CS..EExtended strand (participates in β ladder)trans-109127.8175-54.6172.1000108.2V164 L175 F177 L199 N203 I205 H236 I237 L239V164-L166 HydrophobicContact CG1-CD2 3.93Å; V164-L166 HydrophobicContact CG1-CG 4.28Å; L166-L175 HydrophobicContact CB-CD2 4.27Å; L166-L175 HydrophobicContact CD1-CB 4.27Å; L166-L175 HydrophobicContact CD1-CD2 4.02Å; L166-F177 HydrophobicContact CD1-CE1 3.93Å; L166-L199 HydrophobicContact CB-CD2 3.84Å; L166-L199 HydrophobicContact CB-CG 4.38Å; L166-L199 HydrophobicContact CD2-CD2 4.4Å; L166-L199 HydrophobicContact CD2-CG 4.05Å; L166-N203 HydrophobicContact CD2-CB 3.56Å; L166-I205 HydrophobicContact CD1-CD1 3.97Å; L166-I205 HydrophobicContact CD2-CD1 4.2Å; L166-H236 WeakPolarHBondContact O-CA 3.39Å; L166-H236 PolarHBondContact O-CD2 3.33Å; L166-I237 HydrophobicContact CB-CG2 3.7Å; L166-I237 HydrophobicContact CD1-CG2 3.99Å; L166-I237 HydrophobicContact CG-CG2 4.25Å; L166-I237 PolarHBondContact N-O 3.28Å; L166-I237 PolarHBondContact O-N 2.99Å; L166-L239 HydrophobicContact CD1-CD1 3.69Å
167Y80.4Confident71.4Confident146 Ų14678 Ų7857%0.57340%0.401SS*.EExtended strand (participates in β ladder)trans-112.6119.7176.5-62.7-89.3000108.3H165 L199 T235 H236H165-Y167 HydrophobicContact CB-CE2 3.76Å; Y167-L199 WeakPolarHBondContact O-CD2 3.37Å; Y167-T235 CarbonylContact C-O 3.55Å; Y167-T235 WeakPolarHBondContact CA-O 3.3Å; Y167-H236 HydrophobicContact CD1-CB 4.19Å; Y167-H236 AromaticContact CD1-CD2 3.48Å; Y167-H236 VanDerWaalsContact CD1-CD2 3.48Å; Y167-H236 WeakPolarHBondContact CD1-CD2 3.14Å; Y167-H236 AromaticContact CD1-CG 3.95Å; Y167-H236 HydrophobicContact CE1-CB 4.31Å; Y167-H236 AromaticContact CE1-CD2 3.16Å; Y167-H236 WeakPolarHBondContact CE1-CD2 2.98Å; Y167-H236 AromaticContact CE1-CE1 3.85Å; Y167-H236 AromaticContact CE1-CG 3.65Å; Y167-H236 AromaticContact CE1-NE2 3.3Å; Y167-H236 VanDerWaalsContact CE1-NE2 3.3Å; Y167-H236 WeakPolarHBondContact CE1-NE2 3.34Å; Y167-H236 AromaticContact CE2-NE2 3.93Å; Y167-H236 AromaticContact CZ-CD2 3.5Å; Y167-H236 VanDerWaalsContact CZ-CD2 3.5Å; Y167-H236 AromaticContact CZ-CE1 3.95Å; Y167-H236 AromaticContact CZ-NE2 3.2Å; Y167-H236 PolarHBondContact OH-NE2 2.88Å; Y167-H236 VanDerWaalsContact OH-NE2 3.17Å
168T69.4Low73.3Confident18 Ų1874.9 Ų74.911%0.1139%0.389CS..  trans-103.714717685.70000110D172 L175 L199 Q234 T235T168-D172 WeakPolarHBondContact CB-O 3.48Å; T168-L175 HydrophobicContact CG2-CD2 3.71Å; T168-L199 HydrophobicContact CG2-CD2 3.97Å; T168-Q234 PolarHBondContact OG1-O 3.15Å; T168-T235 PolarHBondContact N-O 3.34Å; T168-T235 WeakPolarHBondContact OG1-CA 3.47Å
169T64.1Low75Confident89 Ų8970.6 Ų70.655%0.54637%0.366SS..  trans-74.1151.8166.240.70000109.5D171 D172T169-D171 PolarHBondContact O-N 2.98Å; T169-D171 VanDerWaalsContact O-N 3.07Å; T169-D172 CarbonylContact O-C 3.49Å; T169-D172 PolarHBondContact O-N 3.41Å; T169-D172 VanDerWaalsContact O-N 3.09Å
170S55.7Low76.2Confident83 Ų8372.9 Ų72.958%0.5837%0.37SS*.THydrogen-bonded Turntrans-59.1-21.1-177.5-48.50000113.8F173S170-F173 WeakPolarHBondContact O-CE2 3.36Å; S170-F173 WeakPolarHBondContact O-CZ 3.48Å
171D53.9Low77.1Confident145 Ų14568.6 Ų68.678%0.77535%0.346SS*.THydrogen-bonded Turntrans-91.9-15.3-178.6-57.3-83.7000113.2T169T169-D171 PolarHBondContact O-N 2.98Å; T169-D171 VanDerWaalsContact O-N 3.07Å
172D57Low76.8Confident101 Ų10161.8 Ų61.854%0.5432%0.321SS..  trans-135.684.2-174.7-68.9-72000111.8T168 T169 C174T168-D172 WeakPolarHBondContact CB-O 3.48Å; T169-D172 CarbonylContact O-C 3.49Å; T169-D172 PolarHBondContact O-N 3.41Å; T169-D172 VanDerWaalsContact O-N 3.09Å; D172-C174 PolarHBondContact O-N 3.35Å
173F61.5Low76.3Confident113 Ų11362.7 Ų62.750%0.49633%0.327SS..  trans-73.317.7177-55.9-73.5000114.5S170 L175 T235S170-F173 WeakPolarHBondContact O-CE2 3.36Å; S170-F173 WeakPolarHBondContact O-CZ 3.48Å; F173-L175 PolarHBondContact O-N 3.03Å; F173-T235 HydrophobicContact CE1-CG2 4.46Å
174C71.9Confident75.8Confident96 Ų9662.2 Ų62.265%0.64932%0.323SS*.  trans-87.1110.7-174.3-68.10000110.2D172 G176D172-C174 PolarHBondContact O-N 3.35Å; C174-G176 PolarHBondContact O-N 3.44Å
175L79Confident75.4Confident18 Ų1867.8 Ų67.89%0.09435%0.346CS..  trans-72.4-14.3175.3-58179.1000113.4L166 T168 F173 F177 A200 L231 I237L166-L175 HydrophobicContact CB-CD2 4.27Å; L166-L175 HydrophobicContact CD1-CB 4.27Å; L166-L175 HydrophobicContact CD1-CD2 4.02Å; T168-L175 HydrophobicContact CG2-CD2 3.71Å; F173-L175 PolarHBondContact O-N 3.03Å; L175-F177 HydrophobicContact CB-CD1 3.64Å; L175-F177 HydrophobicContact CB-CE1 3.47Å; L175-F177 VanDerWaalsContact CB-CE1 3.47Å; L175-F177 HydrophobicContact CD1-CE1 3.68Å; L175-F177 HydrophobicContact CD1-CZ 4.05Å; L175-F177 HydrophobicContact CG-CE1 4.21Å; L175-A200 VanDerWaalsContact O-CB 3.24Å; L175-A200 WeakPolarHBondContact O-CB 3.39Å; L175-A200 PolarHBondContact O-N 2.99Å; L175-A200 VanDerWaalsContact O-N 3.08Å; L175-L231 HydrophobicContact CD1-CB 4.28Å; L175-L231 WeakPolarHBondContact CD1-O 3.46Å; L175-I237 HydrophobicContact CD1-CD1 4.37Å; L175-I237 HydrophobicContact CD1-CG2 4.14Å; L175-I237 HydrophobicContact CD2-CG2 3.64Å
176G82.5Confident74.9Confident9 Ų966.1 Ų66.19%0.09335%0.348CS..SBendtrans76.922177.900000114.6C174 D195C174-G176 PolarHBondContact O-N 3.44Å; G176-D195 PolarHBondContact O-N 2.96Å
177F84.5Confident74.8Confident22 Ų2268.7 Ų68.710%0.09636%0.362CS..EExtended strand (participates in β ladder)trans-145.2156.8172.572.6-82.6000111.7L166 L175 I179 V191 K193 V194 A200 I205 L231 L239L166-F177 HydrophobicContact CD1-CE1 3.93Å; L175-F177 HydrophobicContact CB-CD1 3.64Å; L175-F177 HydrophobicContact CB-CE1 3.47Å; L175-F177 VanDerWaalsContact CB-CE1 3.47Å; L175-F177 HydrophobicContact CD1-CE1 3.68Å; L175-F177 HydrophobicContact CD1-CZ 4.05Å; L175-F177 HydrophobicContact CG-CE1 4.21Å; F177-I179 HydrophobicContact CD2-CG2 3.96Å; F177-I179 HydrophobicContact CE2-CG2 3.53Å; F177-V191 HydrophobicContact CB-CG1 4.19Å; F177-V191 HydrophobicContact CD2-CG1 4.31Å; F177-V191 HydrophobicContact CD2-CG2 4.04Å; F177-V191 HydrophobicContact CE2-CG2 4.42Å; F177-K193 CarbonylContact C-O 3.6Å; F177-K193 VanDerWaalsContact CA-O 3.24Å; F177-K193 WeakPolarHBondContact CA-O 3.21Å; F177-K193 WeakPolarHBondContact CB-O 3.3Å; F177-V194 HydrophobicContact CB-CG2 4.29Å; F177-A200 HydrophobicContact CB-CB 3.8Å; F177-A200 HydrophobicContact CD1-CB 3.75Å; F177-A200 HydrophobicContact CG-CB 4.18Å; F177-I205 HydrophobicContact CD1-CD1 4.41Å; F177-I205 HydrophobicContact CE1-CD1 4.32Å; F177-L231 HydrophobicContact CE2-CD1 4.45Å; F177-L231 HydrophobicContact CZ-CD1 4.42Å; F177-L231 HydrophobicContact CZ-CD2 4.44Å; F177-L239 HydrophobicContact CE1-CD1 3.96Å; F177-L239 HydrophobicContact CZ-CD1 3.74Å
178N85.7Confident74.9Confident78 Ų7862.6 Ų62.642%0.41734%0.343SS..EExtended strand (participates in β ladder)trans-110.4148.9173.7-69.4-65000110.5V191 S192 K193N178-V191 CarbonylContact O-C 3.58Å; N178-V191 WeakPolarHBondContact O-CA 3.23Å; N178-S192 VanDerWaalsContact CB-OG 3.24Å; N178-S192 WeakPolarHBondContact CB-OG 3.36Å; N178-S192 PolarHBondContact O-N 3.17Å; N178-S192 PolarHBondContact O-OG 3.2Å; N178-K193 HydrophobicContact CB-CB 4.14Å; N178-K193 PolarHBondContact N-O 3.27Å
179I86.1Confident75.9Confident25 Ų2561.8 Ų61.813%0.12834%0.338CS..EExtended strand (participates in β ladder)trans-108.6160.2174.666.1165.2000111.7F177 I189 Y190 A227 V228 L231F177-I179 HydrophobicContact CD2-CG2 3.96Å; F177-I179 HydrophobicContact CE2-CG2 3.53Å; I179-I189 HydrophobicContact CB-CG2 3.89Å; I179-I189 HydrophobicContact CD1-CG2 3.94Å; I179-I189 HydrophobicContact CG2-CG2 3.97Å; I179-Y190 CarbonylContact C-O 3.58Å; I179-Y190 VanDerWaalsContact CA-O 3.25Å; I179-Y190 WeakPolarHBondContact CA-O 3.24Å; I179-A227 HydrophobicContact CD1-CB 3.9Å; I179-V228 HydrophobicContact CD1-CG2 3.75Å; I179-V228 HydrophobicContact CG1-CG2 4.22Å; I179-L231 HydrophobicContact CD1-CD1 3.94Å; I179-L231 HydrophobicContact CG2-CD1 3.82Å
180R84.4Confident77Confident62 Ų6260.6 Ų60.623%0.23432%0.324CS..EExtended strand (participates in β ladder)trans-146.917016964.9178.4172.972.38.8109.8L142 Y190L142-R180 VanDerWaalsContact CD1-NH1 3.26Å; R180-Y190 PolarHBondContact N-O 2.66Å; R180-Y190 PolarHBondContact O-N 3.39Å
181G86.2Confident78.4Confident10 Ų1056.6 Ų56.610%0.10330%0.297CS..EExtended strand (participates in β ladder)trans86-163.8-174.700000111G188 H224G181-G188 WeakPolarHBondContact CA-O 3.46Å; G181-H224 VanDerWaalsContact O-CB 3.3Å; G181-H224 WeakPolarHBondContact O-CB 3.28Å; G181-H224 PolarHBondContact O-ND1 3.06Å
182G78.9Confident79.8Confident0 Ų052 Ų520%028%0.275CS..EExtended strand (participates in β ladder)trans131.6151.3-168.100000110.2E184 F185 G186 L187G182-E184 WeakPolarHBondContact CA-OE2 3.35Å; G182-E184 PolarHBondContact O-N 3.08Å; G182-E184 VanDerWaalsContact O-N 3.16Å; G182-F185 PolarHBondContact O-N 3.01Å; G182-G186 PolarHBondContact O-N 3.02Å; G182-L187 CarbonylContact C-O 3.02Å; G182-L187 WeakPolarHBondContact CA-O 3.19Å; G182-L187 PolarHBondContact N-O 3.48Å; G182-L187 PolarHBondContact O-N 2.87Å
183K78.7Confident80.9Confident111 Ų11152 Ų5248%0.48327%0.271SS..G310 helixtrans-54.6-34.5-177.7176.9176-178.6152.50112.8F185 G186 D221 I222K183-F185 PolarHBondContact O-N 3.3Å; K183-F185 VanDerWaalsContact O-N 3.13Å; K183-G186 PolarHBondContact O-N 3.07Å; K183-D221 HydrophobicContact CD-CB 3.98Å; K183-D221 VanDerWaalsContact CD-O 3.25Å; K183-D221 WeakPolarHBondContact CD-O 3.16Å; K183-D221 VanDerWaalsContact CD-OD1 3.24Å; K183-D221 WeakPolarHBondContact CD-OD1 3.41Å; K183-D221 WeakPolarHBondContact CE-OD1 3.43Å; K183-D221 IonicContact NZ-OD1 2.71Å; K183-D221 PolarHBondContact NZ-OD1 3.07Å; K183-D221 IonicContact NZ-OD2 3.67Å; K183-I222 WeakPolarHBondContact CB-O 3.45Å; K183-I222 PolarHBondContact N-O 2.91Å
184E76.3Confident81.8Confident98 Ų9847.8 Ų47.846%0.45825%0.254SS..G310 helixtrans-61.2-21.717868.8-90.4-135.100113.1G182 S223 H224G182-E184 WeakPolarHBondContact CA-OE2 3.35Å; G182-E184 PolarHBondContact O-N 3.08Å; G182-E184 VanDerWaalsContact O-N 3.16Å; E184-S223 VanDerWaalsContact OE2-CA 3.23Å; E184-S223 WeakPolarHBondContact OE2-CA 3.43Å; E184-H224 WeakPolarHBondContact OE1-CB 3.49Å; E184-H224 PolarHBondContact OE1-N 2.74Å; E184-H224 PolarHBondContact OE2-N 3.38Å
185F78.4Confident82.1Confident127 Ų12746 Ų4656%0.55724%0.238SC*.G310 helixtrans-100.91.2175.1-52.4-68.5000112.6G182 K183 L187 H224G182-F185 PolarHBondContact O-N 3.01Å; K183-F185 PolarHBondContact O-N 3.3Å; K183-F185 VanDerWaalsContact O-N 3.13Å; F185-L187 VanDerWaalsContact C-N 3.25Å; F185-L187 HydrophobicContact CB-CD1 4.33Å; F185-L187 HydrophobicContact CB-CG 4.42Å; F185-L187 PolarHBondContact O-N 3.22Å; F185-H224 HydrophobicContact CE2-CB 4.28Å
186G74.8Confident82.1Confident37 Ų3752.1 Ų52.138%0.38127%0.266SS..THydrogen-bonded Turntrans64.729.2-174.300000113.3R140 G182 K183R140-G186 PolarHBondContact NH1-O 3.28Å; G182-G186 PolarHBondContact O-N 3.02Å; K183-G186 PolarHBondContact O-N 3.07Å
187L80.5Confident81.8Confident54 Ų5454.3 Ų54.328%0.28329%0.288SS..EExtended strand (participates in β ladder)trans-130.2145.9-176.9-63.2174.7000110.3R140 G182 F185R140-L187 HydrophobicContact CB-CD2 4.38Å; G182-L187 CarbonylContact C-O 3.02Å; G182-L187 WeakPolarHBondContact CA-O 3.19Å; G182-L187 PolarHBondContact N-O 3.48Å; G182-L187 PolarHBondContact O-N 2.87Å; F185-L187 VanDerWaalsContact C-N 3.25Å; F185-L187 HydrophobicContact CB-CD1 4.33Å; F185-L187 HydrophobicContact CB-CG 4.42Å; F185-L187 PolarHBondContact O-N 3.22Å
188G84.2Confident81.5Confident18 Ų1854 Ų5419%0.18629%0.291CS..EExtended strand (participates in β ladder)trans-64.4176.3166.700000112.7G181 Y190G181-G188 WeakPolarHBondContact CA-O 3.46Å; G188-Y190 WeakPolarHBondContact O-CD2 3.47Å; G188-Y190 WeakPolarHBondContact O-CE2 3.5Å
189I89.9Confident81.3Confident1 Ų152.1 Ų52.11%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-86.5122.6176.1-58.1-62.3000109.8I179 Q210 V211 F219 I222 A227I179-I189 HydrophobicContact CB-CG2 3.89Å; I179-I189 HydrophobicContact CD1-CG2 3.94Å; I179-I189 HydrophobicContact CG2-CG2 3.97Å; I189-Q210 CarbonylContact O-C 3.55Å; I189-Q210 WeakPolarHBondContact O-CA 3.27Å; I189-Q210 WeakPolarHBondContact O-CG 3.47Å; I189-V211 HydrophobicContact CB-CB 4.33Å; I189-V211 HydrophobicContact CG2-CB 4.03Å; I189-V211 HydrophobicContact CG2-CG2 4.2Å; I189-V211 PolarHBondContact O-N 3.31Å; I189-F219 HydrophobicContact CB-CD2 3.84Å; I189-F219 HydrophobicContact CG1-CB 4.25Å; I189-F219 HydrophobicContact CG1-CD2 3.71Å; I189-F219 HydrophobicContact CG1-CE2 4.42Å; I189-F219 HydrophobicContact CG1-CG 4.31Å; I189-F219 HydrophobicContact CG2-CD2 4.06Å; I189-F219 HydrophobicContact CG2-CE2 4.3Å; I189-I222 HydrophobicContact CD1-CG2 4.12Å; I189-I222 HydrophobicContact CG1-CG2 3.68Å; I189-A227 HydrophobicContact CD1-CB 3.7Å; I189-A227 HydrophobicContact CG1-CB 3.91Å
190Y86.3Confident81.3Confident64 Ų6451 Ų5125%0.25128%0.275SS..EExtended strand (participates in β ladder)trans-124.8148-178.5-65.4-92.1000111.9I179 R180 G188 S192 D209 Q210I179-Y190 CarbonylContact C-O 3.58Å; I179-Y190 VanDerWaalsContact CA-O 3.25Å; I179-Y190 WeakPolarHBondContact CA-O 3.24Å; R180-Y190 PolarHBondContact N-O 2.66Å; R180-Y190 PolarHBondContact O-N 3.39Å; G188-Y190 WeakPolarHBondContact O-CD2 3.47Å; G188-Y190 WeakPolarHBondContact O-CE2 3.5Å; Y190-S192 PolarHBondContact O-N 3.21Å; Y190-D209 CarbonylContact C-O 3.58Å; Y190-D209 WeakPolarHBondContact CA-O 3.24Å; Y190-Q210 HydrophobicContact CD1-CB 3.77Å; Y190-Q210 HydrophobicContact CD1-CG 4Å; Y190-Q210 HydrophobicContact CE1-CB 3.61Å; Y190-Q210 HydrophobicContact CE1-CG 3.66Å; Y190-Q210 HydrophobicContact CE2-CG 4.4Å
191V86.8Confident81.3Confident0 Ų051.9 Ų51.90%028%0.282CS..EExtended strand (participates in β ladder)trans-71.4116.9171.4-177.80000109F177 N178 V194 I205 K206 G208 D209 V211F177-V191 HydrophobicContact CB-CG1 4.19Å; F177-V191 HydrophobicContact CD2-CG1 4.31Å; F177-V191 HydrophobicContact CD2-CG2 4.04Å; F177-V191 HydrophobicContact CE2-CG2 4.42Å; N178-V191 CarbonylContact O-C 3.58Å; N178-V191 WeakPolarHBondContact O-CA 3.23Å; V191-V194 HydrophobicContact CG1-CG2 3.56Å; V191-I205 HydrophobicContact CG1-CG2 4.28Å; V191-I205 HydrophobicContact CG2-CG2 3.83Å; V191-K206 WeakPolarHBondContact CB-O 3.4Å; V191-G208 PolarHBondContact O-N 3.37Å; V191-D209 HydrophobicContact CB-CB 4.46Å; V191-D209 HydrophobicContact CG2-CB 4.09Å; V191-D209 PolarHBondContact N-O 2.83Å; V191-V211 HydrophobicContact CG2-CG2 4.34Å
192S81.9Confident81.2Confident47 Ų4758.4 Ų58.433%0.32931%0.31SS..EExtended strand (participates in β ladder)trans-91.5-30.1179.259.70000112.6N178 Y190N178-S192 VanDerWaalsContact CB-OG 3.24Å; N178-S192 WeakPolarHBondContact CB-OG 3.36Å; N178-S192 PolarHBondContact O-N 3.17Å; N178-S192 PolarHBondContact O-OG 3.2Å; Y190-S192 PolarHBondContact O-N 3.21Å
193K79.4Confident81.4Confident102 Ų10261.5 Ų61.544%0.44333%0.326SS..EExtended strand (participates in β ladder)trans-153.2146.3-179.6-173.1-175.4175.7-1330109.4F177 N178 D195F177-K193 CarbonylContact C-O 3.6Å; F177-K193 VanDerWaalsContact CA-O 3.24Å; F177-K193 WeakPolarHBondContact CA-O 3.21Å; F177-K193 WeakPolarHBondContact CB-O 3.3Å; N178-K193 HydrophobicContact CB-CB 4.14Å; N178-K193 PolarHBondContact N-O 3.27Å; K193-D195 IonicContact NZ-OD1 2.76Å; K193-D195 PolarHBondContact NZ-OD1 3.09Å
194V81.5Confident81.7Confident24 Ų2457.4 Ų57.415%0.14532%0.316CS..EExtended strand (participates in β ladder)trans-121.5135.7167.7-178.90000107.4F177 V191 A200 E201 I205 V207F177-V194 HydrophobicContact CB-CG2 4.29Å; V191-V194 HydrophobicContact CG1-CG2 3.56Å; V194-A200 HydrophobicContact CG1-CB 3.99Å; V194-E201 HydrophobicContact CG1-CB 3.77Å; V194-E201 HydrophobicContact CG1-CG 4.45Å; V194-I205 HydrophobicContact CG2-CG2 4.29Å; V194-V207 HydrophobicContact CB-CG2 4.42Å; V194-V207 HydrophobicContact CG2-CG2 4.09Å
195D79.1Confident82.3Confident58 Ų5853 Ų5331%0.3130%0.295SS..  trans-82.9130.3178.3-63.4-47.8000110.1G176 K193 G197 G198G176-D195 PolarHBondContact O-N 2.96Å; K193-D195 IonicContact NZ-OD1 2.76Å; K193-D195 PolarHBondContact NZ-OD1 3.09Å; D195-G197 PolarHBondContact O-N 3.13Å; D195-G198 PolarHBondContact O-N 2.81Å
196H78.4Confident82.8Confident148 Ų14853.5 Ų53.569%0.68530%0.297SS*.THydrogen-bonded Turntrans-68.6129.1-177.6-173.562.7000111.9G198 E201H196-G198 PolarHBondContact O-N 3.03Å; H196-E201 WeakPolarHBondContact CA-OE2 3.48Å; H196-E201 IonicContact CE1-OE1 3.92Å; H196-E201 IonicContact CE1-OE2 3.65Å; H196-E201 IonicContact CG-OE1 3.93Å; H196-E201 IonicContact CG-OE2 3.76Å; H196-E201 IonicContact ND1-OE1 2.99Å; H196-E201 PolarHBondContact ND1-OE1 3.01Å; H196-E201 IonicContact ND1-OE2 3.03Å; H196-E201 PolarHBondContact ND1-OE2 3.48Å
197G76Confident83.3Confident54 Ų5455.9 Ų55.956%0.55730%0.304SS*.THydrogen-bonded Turntrans68.415.9-170.300000113.6D195 E201D195-G197 PolarHBondContact O-N 3.13Å; G197-E201 PolarHBondContact N-OE2 3.46Å
198G78.5Confident83.5Confident15 Ų1554 Ų5416%0.15530%0.298CS..SBendtrans-90.1163.3176.800000112.5D195 H196 A200 E201 E202D195-G198 PolarHBondContact O-N 2.81Å; H196-G198 PolarHBondContact O-N 3.03Å; G198-A200 PolarHBondContact O-N 2.72Å; G198-A200 VanDerWaalsContact O-N 3.12Å; G198-E201 PolarHBondContact O-N 3.12Å; G198-E202 PolarHBondContact O-N 3.08Å; G198-E202 VanDerWaalsContact O-N 3.09Å
199L81.5Confident83.7Confident40 Ų4053.3 Ų53.321%0.20929%0.29CS..Hα-helixtrans-52.2-39.8-176.8-170.668.1000113.1L166 Y167 T168 N203L166-L199 HydrophobicContact CB-CD2 3.84Å; L166-L199 HydrophobicContact CB-CG 4.38Å; L166-L199 HydrophobicContact CD2-CD2 4.4Å; L166-L199 HydrophobicContact CD2-CG 4.05Å; Y167-L199 WeakPolarHBondContact O-CD2 3.37Å; T168-L199 HydrophobicContact CG2-CD2 3.97Å; L199-N203 WeakPolarHBondContact O-CB 3.24Å; L199-N203 PolarHBondContact O-N 2.83Å; L199-N203 VanDerWaalsContact O-N 3.13Å; L199-N203 PolarHBondContact O-ND2 2.76Å
200A85.1Confident83.8Confident0 Ų055.1 Ų55.10%030%0.298CS..Hα-helixtrans-63.3-42.6175.400000113.8L175 F177 V194 G198 N203 G204 I205L175-A200 VanDerWaalsContact O-CB 3.24Å; L175-A200 WeakPolarHBondContact O-CB 3.39Å; L175-A200 PolarHBondContact O-N 2.99Å; L175-A200 VanDerWaalsContact O-N 3.08Å; F177-A200 HydrophobicContact CB-CB 3.8Å; F177-A200 HydrophobicContact CD1-CB 3.75Å; F177-A200 HydrophobicContact CG-CB 4.18Å; V194-A200 HydrophobicContact CG1-CB 3.99Å; G198-A200 PolarHBondContact O-N 2.72Å; G198-A200 VanDerWaalsContact O-N 3.12Å; A200-N203 CarbonylContact O-C 3.55Å; A200-N203 PolarHBondContact O-N 2.91Å; A200-G204 PolarHBondContact O-N 3.33Å; A200-I205 HydrophobicContact CB-CB 4.04Å; A200-I205 HydrophobicContact CB-CD1 4.03Å; A200-I205 HydrophobicContact CB-CG1 4.46Å; A200-I205 HydrophobicContact CB-CG2 4.47Å; A200-I205 VanDerWaalsContact O-CB 3.3Å; A200-I205 WeakPolarHBondContact O-CB 3.49Å; A200-I205 PolarHBondContact O-N 2.95Å
201E85.4Confident84.1Confident81 Ų8152.1 Ų52.138%0.37929%0.287SS..Hα-helixtrans-67.4-43.9179.7-166.9-179-121.400110.6V194 H196 G197 G198 N203 G204V194-E201 HydrophobicContact CG1-CB 3.77Å; V194-E201 HydrophobicContact CG1-CG 4.45Å; H196-E201 WeakPolarHBondContact CA-OE2 3.48Å; H196-E201 IonicContact CE1-OE1 3.92Å; H196-E201 IonicContact CE1-OE2 3.65Å; H196-E201 IonicContact CG-OE1 3.93Å; H196-E201 IonicContact CG-OE2 3.76Å; H196-E201 IonicContact ND1-OE1 2.99Å; H196-E201 PolarHBondContact ND1-OE1 3.01Å; H196-E201 IonicContact ND1-OE2 3.03Å; H196-E201 PolarHBondContact ND1-OE2 3.48Å; G197-E201 PolarHBondContact N-OE2 3.46Å; G198-E201 PolarHBondContact O-N 3.12Å; E201-N203 PolarHBondContact O-N 3.48Å; E201-G204 PolarHBondContact O-N 3.46Å
202E83Confident84.3Confident148 Ų14854 Ų5469%0.69230%0.297SS*.Hα-helixtrans-60.9-31.5177-67.4-174.1112.100112.4G198 G204G198-E202 PolarHBondContact O-N 3.08Å; G198-E202 VanDerWaalsContact O-N 3.09Å; E202-G204 VanDerWaalsContact C-N 3.31Å
203N83.9Confident84.7Confident64 Ų6452.4 Ų52.434%0.34229%0.286SS..THydrogen-bonded Turntrans-91.110.2176.1-75.6-84.8000113.5V164 H165 L166 L199 A200 E201 I205V164-N203 HydrophobicContact CG1-CB 3.68Å; H165-N203 PolarHBondContact O-OD1 3.12Å; L166-N203 HydrophobicContact CD2-CB 3.56Å; L199-N203 WeakPolarHBondContact O-CB 3.24Å; L199-N203 PolarHBondContact O-N 2.83Å; L199-N203 VanDerWaalsContact O-N 3.13Å; L199-N203 PolarHBondContact O-ND2 2.76Å; A200-N203 CarbonylContact O-C 3.55Å; A200-N203 PolarHBondContact O-N 2.91Å; E201-N203 PolarHBondContact O-N 3.48Å; N203-I205 PolarHBondContact O-N 3.3Å
204G85.4Confident85.2Confident26 Ų2647.5 Ų47.527%0.26827%0.265SS..THydrogen-bonded Turntrans74.620.3171.100000115.2R162 A200 E201 E202R162-G204 PolarHBondContact NH1-O 2.82Å; A200-G204 PolarHBondContact O-N 3.33Å; E201-G204 PolarHBondContact O-N 3.46Å; E202-G204 VanDerWaalsContact C-N 3.31Å
205I88.8Confident85.4Confident4 Ų449 Ų492%0.02127%0.272CS..  trans-75.6133.6169.6-58.6179.1000108.5V164 L166 F177 V191 V194 A200 N203 L239V164-I205 HydrophobicContact CG1-CD1 4.23Å; V164-I205 HydrophobicContact CG1-CG1 4.25Å; L166-I205 HydrophobicContact CD1-CD1 3.97Å; L166-I205 HydrophobicContact CD2-CD1 4.2Å; F177-I205 HydrophobicContact CD1-CD1 4.41Å; F177-I205 HydrophobicContact CE1-CD1 4.32Å; V191-I205 HydrophobicContact CG1-CG2 4.28Å; V191-I205 HydrophobicContact CG2-CG2 3.83Å; V194-I205 HydrophobicContact CG2-CG2 4.29Å; A200-I205 HydrophobicContact CB-CB 4.04Å; A200-I205 HydrophobicContact CB-CD1 4.03Å; A200-I205 HydrophobicContact CB-CG1 4.46Å; A200-I205 HydrophobicContact CB-CG2 4.47Å; A200-I205 VanDerWaalsContact O-CB 3.3Å; A200-I205 WeakPolarHBondContact O-CB 3.49Å; A200-I205 PolarHBondContact O-N 2.95Å; N203-I205 PolarHBondContact O-N 3.3Å; I205-L239 HydrophobicContact CD1-CD1 3.99Å
206K88.1Confident85.5Confident138 Ų13849.3 Ų49.360%0.629%0.289SS*.  trans-124.1157.5-177.6-63.3-176.8-179.2-176.30111.7V191 G208 D209V191-K206 WeakPolarHBondContact CB-O 3.4Å; K206-G208 PolarHBondContact O-N 2.85Å; K206-D209 PolarHBondContact N-OD2 3.49Å; K206-D209 VanDerWaalsContact O-CB 3.28Å; K206-D209 WeakPolarHBondContact O-CB 3.39Å; K206-D209 PolarHBondContact O-N 3Å
207V85Confident85.9Confident88 Ų8845.4 Ų45.453%0.53328%0.275SS..THydrogen-bonded Turntrans-60.8133.9171.2179.80000109.4V194V194-V207 HydrophobicContact CB-CG2 4.42Å; V194-V207 HydrophobicContact CG2-CG2 4.09Å
208G84.6Confident86.5Confident15 Ų1552.8 Ų52.816%0.15529%0.286CS..THydrogen-bonded Turntrans94-13.2-17700000114.5V191 K206V191-G208 PolarHBondContact O-N 3.37Å; K206-G208 PolarHBondContact O-N 2.85Å
209D89.4Confident87.1Confident2 Ų252.4 Ų52.41%0.01128%0.28CS..  trans-61.2143.8172.9-76.5-11.9000111Y190 V191 K206 I241 G243 H244Y190-D209 CarbonylContact C-O 3.58Å; Y190-D209 WeakPolarHBondContact CA-O 3.24Å; V191-D209 HydrophobicContact CB-CB 4.46Å; V191-D209 HydrophobicContact CG2-CB 4.09Å; V191-D209 PolarHBondContact N-O 2.83Å; K206-D209 PolarHBondContact N-OD2 3.49Å; K206-D209 VanDerWaalsContact O-CB 3.28Å; K206-D209 WeakPolarHBondContact O-CB 3.39Å; K206-D209 PolarHBondContact O-N 3Å; D209-I241 HydrophobicContact CB-CG2 3.64Å; D209-G243 WeakPolarHBondContact OD1-CA 3.17Å; D209-H244 PolarHBondContact OD1-N 3.28Å
210Q91.9Very high87.2Confident39 Ų3957.3 Ų57.318%0.18231%0.307CS..EExtended strand (participates in β ladder)trans-101128.5177.3-169.4-175.4-2.700110.4I189 Y190 L212 I241 K242I189-Q210 CarbonylContact O-C 3.55Å; I189-Q210 WeakPolarHBondContact O-CA 3.27Å; I189-Q210 WeakPolarHBondContact O-CG 3.47Å; Y190-Q210 HydrophobicContact CD1-CB 3.77Å; Y190-Q210 HydrophobicContact CD1-CG 4Å; Y190-Q210 HydrophobicContact CE1-CB 3.61Å; Y190-Q210 HydrophobicContact CE1-CG 3.66Å; Y190-Q210 HydrophobicContact CE2-CG 4.4Å; Q210-L212 HydrophobicContact CG-CD2 4.02Å; Q210-I241 CarbonylContact O-C 3.57Å; Q210-I241 WeakPolarHBondContact O-CA 2.97Å; Q210-K242 HydrophobicContact CB-CB 4.26Å; Q210-K242 PolarHBondContact N-O 2.84Å; Q210-K242 PolarHBondContact O-N 3.35Å
211V92.5Very high87.3Confident1 Ų162.1 Ų62.11%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-85.7114.2172.5-1700000108.4I189 V191 F219 L239 I241I189-V211 HydrophobicContact CB-CB 4.33Å; I189-V211 HydrophobicContact CG2-CB 4.03Å; I189-V211 HydrophobicContact CG2-CG2 4.2Å; I189-V211 PolarHBondContact O-N 3.31Å; V191-V211 HydrophobicContact CG2-CG2 4.34Å; V211-F219 HydrophobicContact CB-CD2 3.99Å; V211-F219 HydrophobicContact CB-CE2 4.29Å; V211-F219 HydrophobicContact CG1-CD2 3.61Å; V211-F219 HydrophobicContact CG1-CE2 3.64Å; V211-L239 HydrophobicContact CG1-CD2 4.33Å; V211-I241 HydrophobicContact CB-CD1 4.17Å; V211-I241 HydrophobicContact CG1-CD1 4.2Å; V211-I241 HydrophobicContact CG2-CD1 3.77Å
212L91.2Very high87.1Confident40 Ų4058.9 Ų58.921%0.20932%0.318CS..EExtended strand (participates in β ladder)trans-94.4-31.5-179.2-60-178.1000112.5R161 Q210 F219 T240 K242R161-L212 HydrophobicContact CG-CD1 4.23Å; Q210-L212 HydrophobicContact CG-CD2 4.02Å; L212-F219 PolarHBondContact O-N 3.35Å; L212-T240 HydrophobicContact CB-CG2 4.25Å; L212-T240 WeakPolarHBondContact CB-O 3.49Å; L212-T240 HydrophobicContact CD1-CG2 4.42Å; L212-T240 PolarHBondContact N-O 3.1Å; L212-K242 HydrophobicContact CD1-CB 3.92Å; L212-K242 HydrophobicContact CD2-CB 4.4Å; L212-K242 HydrophobicContact CG-CB 4.14Å
213A90.5Very high87Confident13 Ų1353 Ų5311%0.10729%0.293CS..EExtended strand (participates in β ladder)trans-158.6155.3177.100000111.4V217 L239 T240A213-V217 CarbonylContact C-O 3.54Å; A213-V217 WeakPolarHBondContact CA-O 3.35Å; A213-V217 VanDerWaalsContact CB-O 3.25Å; A213-V217 WeakPolarHBondContact CB-O 3.07Å; A213-L239 WeakPolarHBondContact O-CA 3.32Å; A213-T240 PolarHBondContact N-O 3.45Å; A213-T240 PolarHBondContact O-N 2.96Å
214A89.8Confident87Confident0 Ų052.8 Ų52.80%029%0.29CS..EExtended strand (participates in β ladder)trans-136.5126.2172.300000109.6G216 V217 F219 V230 L231 I237 M238 L239A214-G216 PolarHBondContact O-N 3.21Å; A214-G216 VanDerWaalsContact O-N 3.12Å; A214-V217 PolarHBondContact N-O 3.28Å; A214-V217 WeakPolarHBondContact O-CB 3.3Å; A214-V217 PolarHBondContact O-N 3Å; A214-F219 HydrophobicContact CB-CE1 3.86Å; A214-F219 HydrophobicContact CB-CE2 4.4Å; A214-F219 HydrophobicContact CB-CZ 3.61Å; A214-V230 HydrophobicContact CB-CG1 3.73Å; A214-L231 HydrophobicContact CB-CD2 3.87Å; A214-I237 HydrophobicContact CB-CD1 4.22Å; A214-I237 HydrophobicContact CB-CG1 4.43Å; A214-M238 CarbonylContact C-O 3.56Å; A214-M238 WeakPolarHBondContact CA-O 3.44Å; A214-L239 HydrophobicContact CB-CD2 3.63Å
215N84.9Confident86.9Confident55 Ų5554.7 Ų54.729%0.29430%0.299SS..THydrogen-bonded Turntrans49.539.3-179.7-70-13.1000114.1V217 Q234 H236 I237 M238N215-V217 PolarHBondContact O-N 3.45Å; N215-Q234 PolarHBondContact ND2-OE1 3.06Å; N215-H236 PolarHBondContact ND2-O 2.84Å; N215-I237 WeakPolarHBondContact OD1-CA 3.41Å; N215-M238 PolarHBondContact N-O 3.32Å; N215-M238 PolarHBondContact OD1-N 2.84Å
216G81.3Confident86.6Confident64 Ų6459.2 Ų59.266%0.6632%0.32SS*.THydrogen-bonded Turntrans82.4-10.7-178.300000115A214A214-G216 PolarHBondContact O-N 3.21Å; A214-G216 VanDerWaalsContact O-N 3.12Å
217V87.1Confident86.5Confident66 Ų6652.7 Ų52.740%0.429%0.292SS..EExtended strand (participates in β ladder)trans-79.6121.6173.6-175.70000109.6A213 A214 N215 F219 I222 V230A213-V217 CarbonylContact C-O 3.54Å; A213-V217 WeakPolarHBondContact CA-O 3.35Å; A213-V217 VanDerWaalsContact CB-O 3.25Å; A213-V217 WeakPolarHBondContact CB-O 3.07Å; A214-V217 PolarHBondContact N-O 3.28Å; A214-V217 WeakPolarHBondContact O-CB 3.3Å; A214-V217 PolarHBondContact O-N 3Å; N215-V217 PolarHBondContact O-N 3.45Å; V217-F219 HydrophobicContact CG1-CE1 4.4Å; V217-I222 HydrophobicContact CG1-CD1 4.47Å; V217-V230 HydrophobicContact CB-CG1 4.23Å; V217-V230 HydrophobicContact CG1-CG2 4.26Å; V217-V230 HydrophobicContact CG2-CG1 4.33Å
218R88.2Confident86.6Confident210 Ų21050.2 Ų50.279%0.79228%0.277SS*.EExtended strand (participates in β ladder)trans-79.9140.6179.2-67.6-176.5169.9161-1.6111.7
219F91.4Very high86.6Confident6 Ų656.1 Ų56.13%0.02630%0.301CS..  trans-104.217.5-176.5-75.316.6000113.2I189 V211 L212 A214 V217 D221 I222 A227 V230 L231I189-F219 HydrophobicContact CB-CD2 3.84Å; I189-F219 HydrophobicContact CG1-CB 4.25Å; I189-F219 HydrophobicContact CG1-CD2 3.71Å; I189-F219 HydrophobicContact CG1-CE2 4.42Å; I189-F219 HydrophobicContact CG1-CG 4.31Å; I189-F219 HydrophobicContact CG2-CD2 4.06Å; I189-F219 HydrophobicContact CG2-CE2 4.3Å; V211-F219 HydrophobicContact CB-CD2 3.99Å; V211-F219 HydrophobicContact CB-CE2 4.29Å; V211-F219 HydrophobicContact CG1-CD2 3.61Å; V211-F219 HydrophobicContact CG1-CE2 3.64Å; L212-F219 PolarHBondContact O-N 3.35Å; A214-F219 HydrophobicContact CB-CE1 3.86Å; A214-F219 HydrophobicContact CB-CE2 4.4Å; A214-F219 HydrophobicContact CB-CZ 3.61Å; V217-F219 HydrophobicContact CG1-CE1 4.4Å; F219-D221 VanDerWaalsContact C-N 3.34Å; F219-D221 PolarHBondContact O-N 3.09Å; F219-I222 HydrophobicContact CB-CG2 3.63Å; F219-I222 HydrophobicContact CD1-CD1 3.66Å; F219-I222 HydrophobicContact CD1-CG2 4.06Å; F219-I222 HydrophobicContact CD2-CG2 4.24Å; F219-I222 HydrophobicContact CE1-CD1 3.63Å; F219-I222 HydrophobicContact CG-CD1 4.39Å; F219-I222 HydrophobicContact CG-CG2 3.73Å; F219-I222 HydrophobicContact CZ-CD1 4.32Å; F219-A227 HydrophobicContact CD2-CB 4.31Å; F219-A227 HydrophobicContact CE2-CB 3.86Å; F219-A227 HydrophobicContact CZ-CB 4.13Å; F219-V230 HydrophobicContact CE1-CB 4.21Å; F219-V230 HydrophobicContact CE1-CG1 3.99Å; F219-V230 HydrophobicContact CZ-CB 4.17Å; F219-V230 HydrophobicContact CZ-CG1 4.11Å; F219-L231 HydrophobicContact CE2-CD1 4.31Å; F219-L231 HydrophobicContact CE2-CD2 4.41Å; F219-L231 HydrophobicContact CE2-CG 4.33Å; F219-L231 HydrophobicContact CZ-CD2 4.29Å; F219-L231 HydrophobicContact CZ-CG 4.2Å
220D84.6Confident86.5Confident144 Ų14457.7 Ų57.777%0.7731%0.31SS*.SBendtrans-62.8-40.1-179.1-159.6-101.7000112.3
221D85.8Confident86.1Confident100 Ų10056.6 Ų56.654%0.53531%0.305SS..SBendtrans-129.927-174.7-94.4-47.8000112.7K183 F219K183-D221 HydrophobicContact CD-CB 3.98Å; K183-D221 VanDerWaalsContact CD-O 3.25Å; K183-D221 WeakPolarHBondContact CD-O 3.16Å; K183-D221 VanDerWaalsContact CD-OD1 3.24Å; K183-D221 WeakPolarHBondContact CD-OD1 3.41Å; K183-D221 WeakPolarHBondContact CE-OD1 3.43Å; K183-D221 IonicContact NZ-OD1 2.71Å; K183-D221 PolarHBondContact NZ-OD1 3.07Å; K183-D221 IonicContact NZ-OD2 3.67Å; F219-D221 VanDerWaalsContact C-N 3.34Å; F219-D221 PolarHBondContact O-N 3.09Å
222I81.5Confident85.5Confident13 Ų1363.2 Ų63.27%0.06733%0.334CS..  trans-86.6141.8-177.2-160.4164.7000111.3K183 I189 V217 F219 Q226 A227 V230K183-I222 WeakPolarHBondContact CB-O 3.45Å; K183-I222 PolarHBondContact N-O 2.91Å; I189-I222 HydrophobicContact CD1-CG2 4.12Å; I189-I222 HydrophobicContact CG1-CG2 3.68Å; V217-I222 HydrophobicContact CG1-CD1 4.47Å; F219-I222 HydrophobicContact CB-CG2 3.63Å; F219-I222 HydrophobicContact CD1-CD1 3.66Å; F219-I222 HydrophobicContact CD1-CG2 4.06Å; F219-I222 HydrophobicContact CD2-CG2 4.24Å; F219-I222 HydrophobicContact CE1-CD1 3.63Å; F219-I222 HydrophobicContact CG-CD1 4.39Å; F219-I222 HydrophobicContact CG-CG2 3.73Å; F219-I222 HydrophobicContact CZ-CD1 4.32Å; I222-Q226 HydrophobicContact CD1-CB 3.98Å; I222-Q226 HydrophobicContact CG1-CB 3.53Å; I222-A227 HydrophobicContact CD1-CB 4.13Å; I222-A227 HydrophobicContact CG1-CB 4.32Å; I222-A227 HydrophobicContact CG2-CB 4.01Å; I222-V230 HydrophobicContact CD1-CG2 4.27Å
223S81.3Confident84.3Confident25 Ų2564.2 Ų64.218%0.17535%0.354CS..  trans-72.6160.3169.475.50000111.3E184 S225 Q226 A227E184-S223 VanDerWaalsContact OE2-CA 3.23Å; E184-S223 WeakPolarHBondContact OE2-CA 3.43Å; S223-S225 VanDerWaalsContact C-N 3.29Å; S223-S225 PolarHBondContact O-N 2.83Å; S223-S225 PolarHBondContact OG-OG 3.39Å; S223-Q226 PolarHBondContact O-N 3.27Å; S223-Q226 WeakPolarHBondContact OG-CB 3.46Å; S223-Q226 VanDerWaalsContact OG-CG 3.29Å; S223-Q226 WeakPolarHBondContact OG-CG 3.34Å; S223-Q226 PolarHBondContact OG-N 3.2Å; S223-Q226 VanDerWaalsContact OG-N 3.14Å; S223-Q226 PolarHBondContact OG-OE1 3.39Å; S223-A227 WeakPolarHBondContact O-CB 3.49Å; S223-A227 PolarHBondContact O-N 2.92Å
224H83.1Confident83.3Confident59 Ų5967.7 Ų67.727%0.27337%0.368SS..Hα-helixtrans-56.1-46.6174.1-173.878.4000111.6G181 E184 F185 Q226 A227 V228G181-H224 VanDerWaalsContact O-CB 3.3Å; G181-H224 WeakPolarHBondContact O-CB 3.28Å; G181-H224 PolarHBondContact O-ND1 3.06Å; E184-H224 WeakPolarHBondContact OE1-CB 3.49Å; E184-H224 PolarHBondContact OE1-N 2.74Å; E184-H224 PolarHBondContact OE2-N 3.38Å; F185-H224 HydrophobicContact CE2-CB 4.28Å; H224-Q226 PolarHBondContact O-N 2.93Å; H224-A227 PolarHBondContact O-N 2.91Å; H224-V228 WeakPolarHBondContact O-CG2 3.49Å; H224-V228 PolarHBondContact O-N 3.28Å
225S83.9Confident82.6Confident67 Ų6771.3 Ų71.347%0.46939%0.39SS..Hα-helixtrans-61-45.6-179.153.60000112.4S223 V228 E229S223-S225 VanDerWaalsContact C-N 3.29Å; S223-S225 PolarHBondContact O-N 2.83Å; S223-S225 PolarHBondContact OG-OG 3.39Å; S225-V228 WeakPolarHBondContact O-CB 3.31Å; S225-V228 PolarHBondContact O-N 3.04Å; S225-E229 WeakPolarHBondContact O-CG 3.29Å; S225-E229 PolarHBondContact O-N 2.92Å
226Q83.3Confident82.5Confident99 Ų9971.9 Ų71.946%0.46339%0.391SS..Hα-helixtrans-65.9-39.9178.3-73.6175.4-33.200111.7I222 S223 H224 V228 E229 V230I222-Q226 HydrophobicContact CD1-CB 3.98Å; I222-Q226 HydrophobicContact CG1-CB 3.53Å; S223-Q226 PolarHBondContact O-N 3.27Å; S223-Q226 WeakPolarHBondContact OG-CB 3.46Å; S223-Q226 VanDerWaalsContact OG-CG 3.29Å; S223-Q226 WeakPolarHBondContact OG-CG 3.34Å; S223-Q226 PolarHBondContact OG-N 3.2Å; S223-Q226 VanDerWaalsContact OG-N 3.14Å; S223-Q226 PolarHBondContact OG-OE1 3.39Å; H224-Q226 PolarHBondContact O-N 2.93Å; Q226-V228 VanDerWaalsContact C-N 3.28Å; Q226-V228 PolarHBondContact O-N 2.7Å; Q226-E229 PolarHBondContact O-N 3.4Å; Q226-E229 VanDerWaalsContact O-N 3.16Å; Q226-V230 WeakPolarHBondContact O-CG2 3.24Å; Q226-V230 PolarHBondContact O-N 3.27Å
227A85.4Confident82.7Confident0 Ų068.8 Ų68.80%036%0.359CS..Hα-helixtrans-59.9-41.6174.700000111.3I179 I189 F219 I222 S223 H224 E229 V230 L231I179-A227 HydrophobicContact CD1-CB 3.9Å; I189-A227 HydrophobicContact CD1-CB 3.7Å; I189-A227 HydrophobicContact CG1-CB 3.91Å; F219-A227 HydrophobicContact CD2-CB 4.31Å; F219-A227 HydrophobicContact CE2-CB 3.86Å; F219-A227 HydrophobicContact CZ-CB 4.13Å; I222-A227 HydrophobicContact CD1-CB 4.13Å; I222-A227 HydrophobicContact CG1-CB 4.32Å; I222-A227 HydrophobicContact CG2-CB 4.01Å; S223-A227 WeakPolarHBondContact O-CB 3.49Å; S223-A227 PolarHBondContact O-N 2.92Å; H224-A227 PolarHBondContact O-N 2.91Å; A227-E229 VanDerWaalsContact C-N 3.34Å; A227-E229 PolarHBondContact O-N 2.86Å; A227-V230 PolarHBondContact O-N 3.4Å; A227-L231 WeakPolarHBondContact O-CB 3.3Å; A227-L231 WeakPolarHBondContact O-CG 3.27Å; A227-L231 PolarHBondContact O-N 3.03Å; A227-L231 VanDerWaalsContact O-N 3.07Å
228V86.2Confident82.7Confident36 Ų3668.9 Ų68.922%0.21836%0.356CS..Hα-helixtrans-62.7-39.8175.1172.60000111.8I179 H224 S225 Q226 L231 K232I179-V228 HydrophobicContact CD1-CG2 3.75Å; I179-V228 HydrophobicContact CG1-CG2 4.22Å; H224-V228 WeakPolarHBondContact O-CG2 3.49Å; H224-V228 PolarHBondContact O-N 3.28Å; S225-V228 WeakPolarHBondContact O-CB 3.31Å; S225-V228 PolarHBondContact O-N 3.04Å; Q226-V228 VanDerWaalsContact C-N 3.28Å; Q226-V228 PolarHBondContact O-N 2.7Å; V228-L231 PolarHBondContact O-N 3.27Å; V228-K232 HydrophobicContact CG1-CD 3.66Å; V228-K232 HydrophobicContact CG1-CG 4.23Å; V228-K232 WeakPolarHBondContact O-CB 3.11Å; V228-K232 VanDerWaalsContact O-CG 3.23Å; V228-K232 WeakPolarHBondContact O-CG 3.36Å; V228-K232 PolarHBondContact O-N 3.18Å; V228-K232 VanDerWaalsContact O-N 3.12Å
229E85.8Confident82.8Confident140 Ų14058.9 Ų58.965%0.65432%0.318SS*.Hα-helixtrans-64-43.9177.2-72.2175.6175.400112S225 Q226 A227 L231 K232S225-E229 WeakPolarHBondContact O-CG 3.29Å; S225-E229 PolarHBondContact O-N 2.92Å; Q226-E229 PolarHBondContact O-N 3.4Å; Q226-E229 VanDerWaalsContact O-N 3.16Å; A227-E229 VanDerWaalsContact C-N 3.34Å; A227-E229 PolarHBondContact O-N 2.86Å; E229-L231 VanDerWaalsContact C-N 3.28Å; E229-L231 PolarHBondContact O-N 3.15Å; E229-K232 PolarHBondContact O-N 3.23Å
230V86.1Confident82.7Confident35 Ų3560.4 Ų60.421%0.21233%0.328CS..Hα-helixtrans-64.7-34.7177.8176.50000111.8A214 V217 F219 I222 Q226 A227A214-V230 HydrophobicContact CB-CG1 3.73Å; V217-V230 HydrophobicContact CB-CG1 4.23Å; V217-V230 HydrophobicContact CG1-CG2 4.26Å; V217-V230 HydrophobicContact CG2-CG1 4.33Å; F219-V230 HydrophobicContact CE1-CB 4.21Å; F219-V230 HydrophobicContact CE1-CG1 3.99Å; F219-V230 HydrophobicContact CZ-CB 4.17Å; F219-V230 HydrophobicContact CZ-CG1 4.11Å; I222-V230 HydrophobicContact CD1-CG2 4.27Å; Q226-V230 WeakPolarHBondContact O-CG2 3.24Å; Q226-V230 PolarHBondContact O-N 3.27Å; A227-V230 PolarHBondContact O-N 3.4Å
231L83.9Confident83.1Confident15 Ų1553.6 Ų53.68%0.07929%0.292CS..Hα-helixtrans-81.6-13.3-179.3-65.6173.2000113.6L175 F177 I179 A214 F219 A227 V228 E229 I237 L239L175-L231 HydrophobicContact CD1-CB 4.28Å; L175-L231 WeakPolarHBondContact CD1-O 3.46Å; F177-L231 HydrophobicContact CE2-CD1 4.45Å; F177-L231 HydrophobicContact CZ-CD1 4.42Å; F177-L231 HydrophobicContact CZ-CD2 4.44Å; I179-L231 HydrophobicContact CD1-CD1 3.94Å; I179-L231 HydrophobicContact CG2-CD1 3.82Å; A214-L231 HydrophobicContact CB-CD2 3.87Å; F219-L231 HydrophobicContact CE2-CD1 4.31Å; F219-L231 HydrophobicContact CE2-CD2 4.41Å; F219-L231 HydrophobicContact CE2-CG 4.33Å; F219-L231 HydrophobicContact CZ-CD2 4.29Å; F219-L231 HydrophobicContact CZ-CG 4.2Å; A227-L231 WeakPolarHBondContact O-CB 3.3Å; A227-L231 WeakPolarHBondContact O-CG 3.27Å; A227-L231 PolarHBondContact O-N 3.03Å; A227-L231 VanDerWaalsContact O-N 3.07Å; V228-L231 PolarHBondContact O-N 3.27Å; E229-L231 VanDerWaalsContact C-N 3.28Å; E229-L231 PolarHBondContact O-N 3.15Å; L231-I237 HydrophobicContact CB-CD1 4.34Å; L231-I237 HydrophobicContact CD2-CD1 3.53Å; L231-I237 HydrophobicContact CG-CD1 4.45Å; L231-L239 HydrophobicContact CD2-CD2 3.49Å; L231-L239 VanDerWaalsContact CD2-CD2 3.49Å
232K79.9Confident83.2Confident141 Ų14151 Ų5161%0.61328%0.275SS*.SBendtrans-94.7152.3-176.1-84.11781761750112.6V228 E229 Q234V228-K232 HydrophobicContact CG1-CD 3.66Å; V228-K232 HydrophobicContact CG1-CG 4.23Å; V228-K232 WeakPolarHBondContact O-CB 3.11Å; V228-K232 VanDerWaalsContact O-CG 3.23Å; V228-K232 WeakPolarHBondContact O-CG 3.36Å; V228-K232 PolarHBondContact O-N 3.18Å; V228-K232 VanDerWaalsContact O-N 3.12Å; E229-K232 PolarHBondContact O-N 3.23Å; K232-Q234 VanDerWaalsContact C-N 3.25Å; K232-Q234 PolarHBondContact O-N 3.06Å
233G67.6Low83.1Confident60 Ų6051 Ų5162%0.61928%0.28SS*.SBendtrans69.418164.600000115.3
234Q69.3Low82.5Confident86 Ų8656.3 Ų56.340%0.40230%0.301SS..  trans-107.9128178.5-60.4-101-31.900108.6T168 N215 K232 H236T168-Q234 PolarHBondContact OG1-O 3.15Å; N215-Q234 PolarHBondContact ND2-OE1 3.06Å; K232-Q234 VanDerWaalsContact C-N 3.25Å; K232-Q234 PolarHBondContact O-N 3.06Å; Q234-H236 VanDerWaalsContact C-N 3.25Å
235T74.1Confident81.1Confident77 Ų7766.1 Ų66.147%0.47234%0.336SS..SBendtrans-74.9-19.5172.651.80000112.3Y167 T168 F173Y167-T235 CarbonylContact C-O 3.55Å; Y167-T235 WeakPolarHBondContact CA-O 3.3Å; T168-T235 PolarHBondContact N-O 3.34Å; T168-T235 WeakPolarHBondContact OG1-CA 3.47Å; F173-T235 HydrophobicContact CE1-CG2 4.46Å
236H82.8Confident81Confident66 Ų6666.1 Ų66.131%0.30633%0.329SS..EExtended strand (participates in β ladder)trans-136.8125172.9178.9-145.3000109.9H165 L166 Y167 N215 Q234H165-H236 AromaticContact CG-NE2 3.87Å; H165-H236 AromaticContact ND1-CE1 3.67Å; H165-H236 AromaticContact ND1-NE2 3.21Å; H165-H236 PolarHBondContact ND1-NE2 3.1Å; L166-H236 WeakPolarHBondContact O-CA 3.39Å; L166-H236 PolarHBondContact O-CD2 3.33Å; Y167-H236 HydrophobicContact CD1-CB 4.19Å; Y167-H236 AromaticContact CD1-CD2 3.48Å; Y167-H236 VanDerWaalsContact CD1-CD2 3.48Å; Y167-H236 WeakPolarHBondContact CD1-CD2 3.14Å; Y167-H236 AromaticContact CD1-CG 3.95Å; Y167-H236 HydrophobicContact CE1-CB 4.31Å; Y167-H236 AromaticContact CE1-CD2 3.16Å; Y167-H236 WeakPolarHBondContact CE1-CD2 2.98Å; Y167-H236 AromaticContact CE1-CE1 3.85Å; Y167-H236 AromaticContact CE1-CG 3.65Å; Y167-H236 AromaticContact CE1-NE2 3.3Å; Y167-H236 VanDerWaalsContact CE1-NE2 3.3Å; Y167-H236 WeakPolarHBondContact CE1-NE2 3.34Å; Y167-H236 AromaticContact CE2-NE2 3.93Å; Y167-H236 AromaticContact CZ-CD2 3.5Å; Y167-H236 VanDerWaalsContact CZ-CD2 3.5Å; Y167-H236 AromaticContact CZ-CE1 3.95Å; Y167-H236 AromaticContact CZ-NE2 3.2Å; Y167-H236 PolarHBondContact OH-NE2 2.88Å; Y167-H236 VanDerWaalsContact OH-NE2 3.17Å; N215-H236 PolarHBondContact ND2-O 2.84Å; Q234-H236 VanDerWaalsContact C-N 3.25Å
237I86.1Confident80.9Confident0 Ų064.3 Ų64.30%032%0.322CS..EExtended strand (participates in β ladder)trans-130129.1175.3-166.5163000111.5H165 L166 L175 A214 N215 L231 L239H165-I237 WeakPolarHBondContact CA-O 3.16Å; L166-I237 HydrophobicContact CB-CG2 3.7Å; L166-I237 HydrophobicContact CD1-CG2 3.99Å; L166-I237 HydrophobicContact CG-CG2 4.25Å; L166-I237 PolarHBondContact N-O 3.28Å; L166-I237 PolarHBondContact O-N 2.99Å; L175-I237 HydrophobicContact CD1-CD1 4.37Å; L175-I237 HydrophobicContact CD1-CG2 4.14Å; L175-I237 HydrophobicContact CD2-CG2 3.64Å; A214-I237 HydrophobicContact CB-CD1 4.22Å; A214-I237 HydrophobicContact CB-CG1 4.43Å; N215-I237 WeakPolarHBondContact OD1-CA 3.41Å; L231-I237 HydrophobicContact CB-CD1 4.34Å; L231-I237 HydrophobicContact CD2-CD1 3.53Å; L231-I237 HydrophobicContact CG-CD1 4.45Å; I237-L239 HydrophobicContact CD1-CD2 3.94Å; I237-L239 HydrophobicContact CG1-CD2 3.83Å; I237-L239 HydrophobicContact CG1-CG 4.37Å
238M86.3Confident80.6Confident67 Ų6767.9 Ų67.933%0.3334%0.34SS..EExtended strand (participates in β ladder)trans-102.7109.2176-178.3178.165.700108.9I163 V164 H165 A214 N215I163-M238 HydrophobicContact CG2-CG 3.53Å; I163-M238 HydrophobicContact CG2-SD 3.99Å; V164-M238 WeakPolarHBondContact O-CA 3.42Å; H165-M238 VanDerWaalsContact CE1-CG 3.48Å; H165-M238 WeakPolarHBondContact CE1-CG 3.05Å; H165-M238 PolarHBondContact CE1-SD 3.33Å; A214-M238 CarbonylContact C-O 3.56Å; A214-M238 WeakPolarHBondContact CA-O 3.44Å; N215-M238 PolarHBondContact N-O 3.32Å; N215-M238 PolarHBondContact OD1-N 2.84Å
239L91.3Very high80.3Confident0 Ų069.8 Ų69.80%035%0.347CS..EExtended strand (participates in β ladder)trans-100.9133.6-179.8-58.9179.4000110.7I163 V164 L166 F177 I205 V211 A213 A214 L231 I237 I241I163-L239 CarbonylContact C-O 3.51Å; I163-L239 WeakPolarHBondContact CA-O 3.46Å; V164-L239 PolarHBondContact N-O 3.24Å; V164-L239 PolarHBondContact O-N 2.81Å; L166-L239 HydrophobicContact CD1-CD1 3.69Å; F177-L239 HydrophobicContact CE1-CD1 3.96Å; F177-L239 HydrophobicContact CZ-CD1 3.74Å; I205-L239 HydrophobicContact CD1-CD1 3.99Å; V211-L239 HydrophobicContact CG1-CD2 4.33Å; A213-L239 WeakPolarHBondContact O-CA 3.32Å; A214-L239 HydrophobicContact CB-CD2 3.63Å; L231-L239 HydrophobicContact CD2-CD2 3.49Å; L231-L239 VanDerWaalsContact CD2-CD2 3.49Å; I237-L239 HydrophobicContact CD1-CD2 3.94Å; I237-L239 HydrophobicContact CG1-CD2 3.83Å; I237-L239 HydrophobicContact CG1-CG 4.37Å; L239-I241 HydrophobicContact CB-CD1 3.92Å; L239-I241 HydrophobicContact CB-CG1 4.04Å; L239-I241 HydrophobicContact CD1-CD1 4.38Å
240T89.1Confident80Confident38 Ų3865.4 Ų65.423%0.23333%0.328CS..EExtended strand (participates in β ladder)trans-96.6112.9165.5-54.90000108.3L212 A213L212-T240 HydrophobicContact CB-CG2 4.25Å; L212-T240 WeakPolarHBondContact CB-O 3.49Å; L212-T240 HydrophobicContact CD1-CG2 4.42Å; L212-T240 PolarHBondContact N-O 3.1Å; A213-T240 PolarHBondContact N-O 3.45Å; A213-T240 PolarHBondContact O-N 2.96Å
241I92.8Very high79.6Confident1 Ų167.4 Ų67.41%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-113.8134-173.5-57.9-61.2000110.5R161 R162 V164 D209 Q210 V211 L239R161-I241 CarbonylContact C-O 3.56Å; R161-I241 WeakPolarHBondContact CA-O 3.25Å; R162-I241 HydrophobicContact CG-CB 4.24Å; R162-I241 PolarHBondContact N-O 2.73Å; R162-I241 PolarHBondContact O-N 2.82Å; V164-I241 HydrophobicContact CG2-CG1 4.21Å; D209-I241 HydrophobicContact CB-CG2 3.64Å; Q210-I241 CarbonylContact O-C 3.57Å; Q210-I241 WeakPolarHBondContact O-CA 2.97Å; V211-I241 HydrophobicContact CB-CD1 4.17Å; V211-I241 HydrophobicContact CG1-CD1 4.2Å; V211-I241 HydrophobicContact CG2-CD1 3.77Å; L239-I241 HydrophobicContact CB-CD1 3.92Å; L239-I241 HydrophobicContact CB-CG1 4.04Å; L239-I241 HydrophobicContact CD1-CD1 4.38Å
242K87.9Confident79.3Confident45 Ų4571.1 Ų71.120%0.19635%0.354CS..EExtended strand (participates in β ladder)trans-97115.6164.7-176.7179.5-177.5176.10107.9E157 Q210 L212E157-K242 IonicContact OE1-NZ 3.06Å; E157-K242 PolarHBondContact OE1-NZ 3.38Å; Q210-K242 HydrophobicContact CB-CB 4.26Å; Q210-K242 PolarHBondContact N-O 2.84Å; Q210-K242 PolarHBondContact O-N 3.35Å; L212-K242 HydrophobicContact CD1-CB 3.92Å; L212-K242 HydrophobicContact CD2-CB 4.4Å; L212-K242 HydrophobicContact CG-CB 4.14Å
243G80.1Confident79.2Confident15 Ų1565.8 Ų65.816%0.15533%0.334CS..  trans-68.2141.7-176.600000113V160 D209V160-G243 PolarHBondContact O-N 3.37Å; D209-G243 WeakPolarHBondContact OD1-CA 3.17Å
244H67.1Low80.2Confident136 Ų13666.3 Ų66.363%0.6331%0.31SS*.  trans-72.5124.9165.9-167.9-77.5000109.5D209D209-H244 PolarHBondContact OD1-N 3.28Å
245R55.2Low81.2Confident264 Ų26464.5 Ų64.5100%0.99630%0.302SS*.  trans-76.90171.5-79.8-168-174-164.14.5111.4

Retrieved 245 of 245 residues in 110.6 ms (Link to these results)