A0A3Q0KRW3_SCHMA Loading...

Lysosome-associated membrane glycoprotein 1

AlphaFold DB , UniProt , Accession A0A3Q0KRW3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 365 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
1M43.2Very low61Low243 Ų243122.1 Ų122.1100%1.19767%0.672SS**  0107.20-80.6170155.700107.9
2L44.9Very low62.3Low164 Ų164121.7 Ų121.786%0.85967%0.667SS**  trans-133.4110173.5-90.2159.3000106.6G4L2-G4 VanDerWaalsContact C-N 3.31Å; L2-G4 PolarHBondContact O-N 3.23Å; L2-G4 VanDerWaalsContact O-N 3.15Å
3P53.5Low63.1Low134 Ų134119.5 Ų119.587%0.8765%0.647SS**  trans-85.177.6174.734.2-27.8000107.9
4G57.2Low64.1Low41 Ų41118.4 Ų118.442%0.42364%0.64SS.*  trans-119.3-20-17700000115.1L2L2-G4 VanDerWaalsContact C-N 3.31Å; L2-G4 PolarHBondContact O-N 3.23Å; L2-G4 VanDerWaalsContact O-N 3.15Å
5S59.5Low64.9Low87 Ų87115.5 Ų115.561%0.60863%0.627SS**SBendtrans-95-5.9-169.532.40000115.2
6S62.5Low65.3Low85 Ų85114.3 Ų114.359%0.59462%0.62SS**SBendtrans-81.3-28.6178.8-153.20000113.1
7V70.1Confident65.7Low95 Ų95114 Ų11458%0.57662%0.617SS**Hα-helixtrans-76-30.4-173.9-175.20000112I9 L11V7-I9 PolarHBondContact O-N 2.98Å; V7-L11 HydrophobicContact CG1-CD1 4.41Å; V7-L11 PolarHBondContact O-N 3.47Å; V7-L11 VanDerWaalsContact O-N 3.15Å
8Y67.2Low65.9Low183 Ų183111.2 Ų111.272%0.71861%0.608SS**Hα-helixtrans-71.3-28179.6-79.2-80.6000113.7L12Y8-L12 WeakPolarHBondContact O-CB 3.16Å; Y8-L12 PolarHBondContact O-N 3.44Å; Y8-L12 VanDerWaalsContact O-N 3.14Å
9I67.7Low65.8Low77 Ų77113 Ų11340%0.39561%0.611SS.*Hα-helixtrans-76.2-40.4179.1-66175.2000110.6V7 L12 F13 V353V7-I9 PolarHBondContact O-N 2.98Å; I9-L12 PolarHBondContact O-N 3.34Å; I9-F13 HydrophobicContact CG2-CD2 4.15Å; I9-F13 HydrophobicContact CG2-CE2 4.41Å; I9-F13 PolarHBondContact O-N 3.07Å; I9-V353 HydrophobicContact CD1-CG1 4.34Å
10E71.1Confident65.4Low130 Ų130112.2 Ų112.261%0.60761%0.614SS**Hα-helixtrans-61.3-44.2172.9-80.9-77.2150.200111.7L12 F13 L14E10-L12 VanDerWaalsContact C-N 3.34Å; E10-L12 PolarHBondContact O-N 3.5Å; E10-F13 PolarHBondContact O-N 3.12Å; E10-L14 PolarHBondContact O-N 2.79Å
11L74.6Confident65Low104 Ų104111.3 Ų111.355%0.54562%0.616SS.*Hα-helixtrans-64.6-37.4177.2-117.691.4000112.5V7 L14 V15V7-L11 HydrophobicContact CG1-CD1 4.41Å; V7-L11 PolarHBondContact O-N 3.47Å; V7-L11 VanDerWaalsContact O-N 3.15Å; L11-L14 PolarHBondContact O-N 3.1Å; L11-V15 VanDerWaalsContact O-CG2 3.27Å; L11-V15 WeakPolarHBondContact O-CG2 3.38Å; L11-V15 PolarHBondContact O-N 2.88Å
12L76.4Confident65.6Low117 Ų117104 Ų10461%0.61359%0.589SS**Hα-helixtrans-68.7-37.8178.3-151.887.2000111.6Y8 I9 E10 V15 L16Y8-L12 WeakPolarHBondContact O-CB 3.16Å; Y8-L12 PolarHBondContact O-N 3.44Å; Y8-L12 VanDerWaalsContact O-N 3.14Å; I9-L12 PolarHBondContact O-N 3.34Å; E10-L12 VanDerWaalsContact C-N 3.34Å; E10-L12 PolarHBondContact O-N 3.5Å; L12-V15 PolarHBondContact O-N 3.47Å; L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 2.87Å
13F73.1Confident65.8Low93 Ų93103.6 Ų103.641%0.40859%0.588SS.*Hα-helixtrans-64.9-41.9173.9-101.9-84.1000112.1I9 E10 L16 L17 V346 V350I9-F13 HydrophobicContact CG2-CD2 4.15Å; I9-F13 HydrophobicContact CG2-CE2 4.41Å; I9-F13 PolarHBondContact O-N 3.07Å; E10-F13 PolarHBondContact O-N 3.12Å; F13-L16 PolarHBondContact O-N 2.83Å; F13-L17 WeakPolarHBondContact O-CB 3.44Å; F13-L17 VanDerWaalsContact O-CG 3.3Å; F13-L17 WeakPolarHBondContact O-CG 3.24Å; F13-L17 PolarHBondContact O-N 3.45Å; F13-V346 HydrophobicContact CE1-CG1 4.07Å; F13-V346 HydrophobicContact CE2-CG1 3.85Å; F13-V346 HydrophobicContact CZ-CG1 3.29Å; F13-V350 HydrophobicContact CE2-CG2 4.47Å
14L76.1Confident65.6Low104 Ų104103.3 Ų103.355%0.54558%0.583SS.*Hα-helixtrans-66-37.5176.7-76.3168.5000112.5E10 L11 L17 S18E10-L14 PolarHBondContact O-N 2.79Å; L11-L14 PolarHBondContact O-N 3.1Å; L14-L17 PolarHBondContact O-N 3.18Å; L14-S18 WeakPolarHBondContact O-CB 3.25Å; L14-S18 PolarHBondContact O-N 2.73Å; L14-S18 PolarHBondContact O-OG 3.05Å
15V76.6Confident65.1Low75 Ų75112.8 Ų112.846%0.45561%0.608SS.*Hα-helixtrans-70.7-33177.2172.50000112.2L11 L12 S18 H19L11-V15 VanDerWaalsContact O-CG2 3.27Å; L11-V15 WeakPolarHBondContact O-CG2 3.38Å; L11-V15 PolarHBondContact O-N 2.88Å; L12-V15 PolarHBondContact O-N 3.47Å; V15-S18 PolarHBondContact O-OG 3.28Å; V15-H19 PolarHBondContact O-N 2.83Å; V15-H19 PolarHBondContact O-ND1 3.15Å
16L72Confident64.3Low97 Ų97112.2 Ų112.251%0.50862%0.616SS.*Hα-helixtrans-74.1-37.6174.7-72.2170.7000111.9L12 F13 S18 H19 S20L12-L16 WeakPolarHBondContact O-CB 3.48Å; L12-L16 WeakPolarHBondContact O-CG 3.45Å; L12-L16 PolarHBondContact O-N 2.87Å; F13-L16 PolarHBondContact O-N 2.83Å; L16-S18 VanDerWaalsContact C-N 3.34Å; L16-H19 PolarHBondContact O-N 3.3Å; L16-S20 PolarHBondContact O-N 3.03Å; L16-S20 VanDerWaalsContact O-N 3.16Å
17L71.8Confident63.4Low109 Ų109117.6 Ų117.657%0.57163%0.629SS**Hα-helixtrans-68.3-33.4173.6-72.7168.7000112.1F13 L14 S21F13-L17 WeakPolarHBondContact O-CB 3.44Å; F13-L17 VanDerWaalsContact O-CG 3.3Å; F13-L17 WeakPolarHBondContact O-CG 3.24Å; F13-L17 PolarHBondContact O-N 3.45Å; L14-L17 PolarHBondContact O-N 3.18Å; L17-S21 PolarHBondContact O-OG 2.74Å
18S69.3Low62.1Low64 Ų64119.6 Ų119.645%0.44864%0.641SS.*Hα-helixtrans-71.8-32177.173.40000113L14 V15 L16L14-S18 WeakPolarHBondContact O-CB 3.25Å; L14-S18 PolarHBondContact O-N 2.73Å; L14-S18 PolarHBondContact O-OG 3.05Å; V15-S18 PolarHBondContact O-OG 3.28Å; L16-S18 VanDerWaalsContact C-N 3.34Å
19H63Low61.1Low145 Ų145118.4 Ų118.467%0.67165%0.648SS**Hα-helixtrans-84-21.7178-7786.7000113.8V15 L16 S21V15-H19 PolarHBondContact O-N 2.83Å; V15-H19 PolarHBondContact O-ND1 3.15Å; L16-H19 PolarHBondContact O-N 3.3Å; H19-S21 PolarHBondContact O-N 3.4Å
20S58.4Low60.2Low97 Ų97119.4 Ų119.468%0.67867%0.667SS**THydrogen-bonded Turntrans-77.1-7.7176-172.10000113.8L16L16-S20 PolarHBondContact O-N 3.03Å; L16-S20 VanDerWaalsContact O-N 3.16Å
21S57.4Low59.1Low93 Ų93119.9 Ų119.965%0.6567%0.674SS**THydrogen-bonded Turntrans-103.13.7-170.7-54.70000114.2L17 H19L17-S21 PolarHBondContact O-OG 2.74Å; H19-S21 PolarHBondContact O-N 3.4Å
22S55.2Low57.5Low91 Ų91119.6 Ų119.664%0.63669%0.687SS**SBendtrans-102.4-9.2-170.4-60.60000116.2
23D49.5Very low56.3Low154 Ų154119.6 Ų119.682%0.82469%0.692SS**SBendtrans-127.548.3-176.1-64-38.7000113
24V49.5Very low54.9Low128 Ų128121.4 Ų121.478%0.77671%0.71SS**  trans-141.471.1163.8-171.40000108.8
25Y46.7Very low53.8Low240 Ų240122.1 Ų122.194%0.94172%0.719SS**  trans-137.899162.5-98.3-82.6000108.4
26G43.2Very low52.5Low75 Ų75125.9 Ų125.977%0.77374%0.737SS**  trans-14271.6176.300000109.7
27F43.4Very low51.1Low199 Ų199129.6 Ų129.687%0.87375%0.752SS**  trans63.488147.7-125.8-94.9000118.6
28T42.5Very low49.9Very low136 Ų136129.8 Ų129.883%0.83476%0.759SS**  trans-141.9102.9149.153.80000109
29D45.8Very low48.7Very low159 Ų159133.3 Ų133.385%0.8577%0.773SS**  trans-145.9135.8155.9-79.8-40.9000102.6
30A48.7Very low47.8Very low97 Ų97130.7 Ų130.780%0.80277%0.771SS**  cis-178.5161.545.200000104.2
31D48.4Very low47Very low140 Ų140131.6 Ų131.675%0.74977%0.773SS**  cis-171132.3-3.6-176.53.4000102.3
32A40.8Very low46.3Very low99 Ų99134.3 Ų134.382%0.81878%0.778SS**  trans-119.894.5-179.400000107.7
33T50.7Low45.7Very low117 Ų117141.9 Ų141.972%0.71879%0.793SS**  trans-106.9112.4168.3-42.60000109.6
34T44.6Very low45.4Very low130 Ų130142.6 Ų142.680%0.79879%0.792SS**  trans-76.5126.9169.740.50000111.5
35T52.5Low45.3Very low119 Ų119141.6 Ų141.673%0.7379%0.79SS**  trans-155.8112.4151-32.50000112.4
36D48.4Very low45.1Very low155 Ų155136.1 Ų136.183%0.82978%0.782SS**  trans52.7117.9142.9-54.9-30.4000124.1
37E43.1Very low44.8Very low175 Ų175138.5 Ų138.582%0.81878%0.782SS**  trans-50.6166.3152-113.8-161.8110.600113.2
38P47.4Very low44.7Very low113 Ų113135.6 Ų135.673%0.73478%0.78SS**  cis-150.5161.842.338.8-15.9000119.3
39N43.5Very low44.7Very low137 Ų137135 Ų13573%0.73378%0.776SS**  trans63.6111.2135.9-15931000122
40S43.5Very low44.6Very low91 Ų91134.5 Ų134.564%0.63677%0.773SS**  137.3140109.976.70000116
41T43.2Very low45.1Very low116 Ų116135.5 Ų135.571%0.71277%0.771SS**  trans96.883.8146.4-34.40000119
42I41.3Very low44.5Very low149 Ų149136 Ų13676%0.76477%0.774SS**  26.2114.5119.7-51.2174.6000116.5
43R43.4Very low45Very low251 Ų251136.7 Ų136.795%0.94777%0.768SS**  trans-157.1129.2133.4-123176.3173.8-172.8-2.9113.3
44E42.8Very low44.8Very low169 Ų169136.9 Ų136.979%0.7977%0.769SS**  trans-68.1172.6177.6-62.4166128.300113.8
45S47Very low44.7Very low107 Ų107136.5 Ų136.575%0.74876%0.762SS**  trans96.6134.1153-39.40000113.7
46T42.3Very low44.5Very low125 Ų125139.4 Ų139.477%0.76777%0.767SS**  cis-162.3140.814.4-35.90000109.4
47T37.1Very low44.6Very low125 Ų125135.9 Ų135.977%0.76776%0.755SS**  trans-51.1129.8160.1-50.10000111.5
48T42.8Very low45.3Very low138 Ų138136.5 Ų136.585%0.84776%0.757SS**  trans-108121.3168.1-56.20000110
49V42.4Very low45.3Very low123 Ų123137.1 Ų137.175%0.74575%0.754SS**PPolyproline II helixtrans-84.9144.7-179.5174.80000109.9
50L43.4Very low45.5Very low149 Ų149136.3 Ų136.378%0.7876%0.759SS**PPolyproline II helixtrans-47.5150.6171.1-13680.1000114.1
51P57.7Low45.4Very low117 Ų117137.4 Ų137.476%0.7676%0.763SS**PPolyproline II helixtrans-96.2126.2151.132.3-22.9000110.4
52N37.4Very low45.6Very low151 Ų151139.5 Ų139.581%0.80777%0.768SS**PPolyproline II helixtrans-93.6144.9165.8-15724.5000108.4
53T51.5Low45.8Very low113 Ų113136.3 Ų136.369%0.69376%0.764SS**  trans-146105.5172-290000105.8
54T45.7Very low45.6Very low122 Ų122130.5 Ų130.575%0.74876%0.756SS**  72.8129.9106.1-45.80000110.8
55D42.5Very low46Very low121 Ų121131.6 Ų131.665%0.64776%0.761SS**  cis178142.24.4172.211.9000104.3
56H48.2Very low45.7Very low180 Ų180132.1 Ų132.183%0.83376%0.76SS**  trans-178.3109.5136.8-100.2-38000113.6
57S50.4Low45.8Very low82 Ų82132.6 Ų132.657%0.57376%0.763SS**  trans-12.2129.5144.5174.90000118.7
58H58.6Low45.8Very low188 Ų188131.1 Ų131.187%0.8776%0.757SS**  -162.7139.2113-115.1-78.1000114.2
59D46.7Very low46.2Very low125 Ų125130.8 Ų130.867%0.66876%0.755SS**  trans-71.9137-177.9175.230.2000114.9
60S48.3Very low46Very low120 Ų120130.5 Ų130.584%0.83975%0.754SS**  -174.7132.1127.9-113.30000113.5
61T41Very low46.5Very low115 Ų115132 Ų13271%0.70676%0.757SS**  trans-88.3152.6178.7-59.20000110.6
62I47.6Very low45.9Very low160 Ų160132.5 Ų132.582%0.82176%0.758SS**  169.1125.2129.1-83.5160.4000113
63A45.1Very low46.1Very low82 Ų82129.3 Ų129.368%0.67875%0.753SS**  trans52.3109.9145.400000123.9
64T40.1Very low45.9Very low128 Ų128130.2 Ų130.279%0.78576%0.759SS**  33.3120.2109.2-39.10000120.1
65E49.7Very low45.8Very low193 Ų193130 Ų13090%0.90276%0.757SS**  -166.5138.5114.9-110.3-179.4-176.100113.8
66T40.4Very low46Very low118 Ų118136.1 Ų136.172%0.72477%0.771SS**  trans-86.2145.2-179.9-58.90000110.2
67T44.9Very low45.9Very low134 Ų134131.2 Ų131.282%0.82277%0.769SS**  trans-156.8125.2139.3-67.90000110.4
68S37.4Very low46Very low94 Ų94136.1 Ų136.166%0.65779%0.785SS**  trans-99.5144.2168.91760000108.6
69T51Low45.2Very low131 Ų131134 Ų13480%0.80479%0.786SS**  trans-145.5123.7158.4-40.20000110.3
70T39.3Very low44.9Very low117 Ų117134.3 Ų134.372%0.71879%0.792SS**  trans-101.3135175.3-60.40000108.3
71E52.2Low44.7Very low181 Ų181133.3 Ų133.385%0.84679%0.792SS**  trans-155.7119150.2-98.3-172.2159.200106.8
72T45.4Very low44.7Very low128 Ų128131.6 Ų131.679%0.78580%0.797SS**  108.5126.161.7-65.60000109.6
73A41.8Very low44.5Very low84 Ų84130.2 Ų130.269%0.69480%0.796SS**  trans-81.1158.8-175.300000113.8
74T48.2Very low44.1Very low132 Ų132132.6 Ų132.681%0.8180%0.802SS**  trans-172.9106.4144.7-65.50000108
75T42.6Very low44.4Very low117 Ų117132.4 Ų132.472%0.71880%0.8SS**  84.7123.579.8-48.40000116.6
76R46.5Very low44.1Very low250 Ų250129.4 Ų129.494%0.94380%0.795SS**  trans80.5123.5149.4-98.9176.4177.7174.20.2122.2
77G47.5Very low44.5Very low77 Ų77132.5 Ų132.579%0.79480%0.799SS**  trans172.798150.800000112.4
78M51.3Low44.6Very low185 Ų185135.6 Ų135.691%0.91180%0.804SS**  trans-56152171.5-75.3169.6167.700112.1
79T43.4Very low44.6Very low143 Ų143137.1 Ų137.188%0.87781%0.81SS**  -172.1131.5116.1-64.10000110.5
80T39.6Very low44.4Very low131 Ų131137.2 Ų137.280%0.80481%0.81SS**  trans-80.5141.3179.8-55.20000112.1
81A44.9Very low45.2Very low100 Ų100136.5 Ų136.583%0.82682%0.816SS**  157.5138.8125.200000112.6
82G38.9Very low44.9Very low79 Ų79131.1 Ų131.181%0.81481%0.81SS**  trans126.383.9157.300000115.7
83V44.4Very low45.3Very low131 Ų131131.5 Ų131.579%0.79481%0.811SS**  trans-78134.9164.2170.10000109
84T37.7Very low45.5Very low132 Ų132133.8 Ų133.881%0.8182%0.817SS**  trans-150114.5150.4-45.70000110.6
85T44.4Very low45.7Very low123 Ų123133.4 Ų133.476%0.75581%0.814SS**  trans-85.5124.3171.5-57.60000108.6
86T44.5Very low46.1Very low130 Ų130133.5 Ų133.580%0.79882%0.815SS**  trans-100114.8171.5-56.30000109
87K48.8Very low46.2Very low184 Ų184130.1 Ų130.180%0.881%0.81SS**  trans-91.8120.8165.9-112.6-175.2176.5-177.20107.8T89K87-T89 PolarHBondContact O-N 3.28Å
88E45.9Very low46.5Very low198 Ų198132.5 Ų132.593%0.92581%0.809SS**  trans-68.6124.4172.5-150.6170.6-166.400108.9
89T38.4Very low46Very low127 Ų127129.7 Ų129.778%0.77980%0.802SS**  trans-116.1126.2-176.5-65.70000108.5K87K87-T89 PolarHBondContact O-N 3.28Å
90T46.6Very low46.2Very low133 Ų133128.8 Ų128.882%0.81680%0.797SS**  trans-55.3140.3171.3-47.50000112G92T90-G92 PolarHBondContact O-N 3.27Å
91A55.7Low46.7Very low101 Ų101127.1 Ų127.184%0.83580%0.796SS**  trans-62.7125.3178.900000113
92G46.8Very low46.7Very low69 Ų69125.7 Ų125.771%0.71179%0.792SS**  95.375.5122.900000119.1T90T90-G92 PolarHBondContact O-N 3.27Å
93V53.2Low47.1Very low135 Ų135128.4 Ų128.482%0.81879%0.792SS**  trans-150.8127.9137.8-178.80000108
94T46.2Very low46.8Very low132 Ų132128 Ų12881%0.8179%0.79SS**  trans-113.6124.4175.9-51.70000109
95T52.3Low47.5Very low124 Ų124127.4 Ų127.476%0.76179%0.786SS**  trans-124.7129.5170.2-50.70000108.3
96T52.2Low47.8Very low120 Ų120128.1 Ų128.174%0.73679%0.79SS**  trans-110.1119.1178.6-47.80000109.1V98T96-V98 HydrophobicContact CG2-CG2 4.5Å
97E48Very low48.6Very low178 Ų178129.5 Ų129.583%0.83279%0.788SS**  trans-93.9132.7166.9-83.8-175.3147.900109.8
98V53.7Low49Very low127 Ų127126.6 Ų126.677%0.7779%0.785SS**  trans-121.6112.6166.1178.70000107.8T96T96-V98 HydrophobicContact CG2-CG2 4.5Å
99T41.2Very low49.9Very low126 Ų126123.6 Ų123.677%0.77377%0.774SS**  trans-91.3122.8176.8-50.50000109.3
100T47.2Very low50.8Low124 Ų124123.5 Ų123.576%0.76177%0.774SS**  trans-144.5119.9159.8-54.90000109.7
101A50.2Low51.6Low96 Ų96126.4 Ų126.479%0.79378%0.775SS**SBendtrans24.4100.7165.200000118.9
102G45.2Very low52.1Low71 Ų71130.5 Ų130.573%0.73278%0.777SS**SBendtrans89.399.414400000116.7
103V46.2Very low52.8Low136 Ų136135.9 Ų135.982%0.82479%0.786SS**  trans83.5112.9149.3-173.20000116.9
104T38.2Very low53.2Low121 Ų121138.1 Ų138.174%0.74279%0.787SS**  trans89.5134.3144.913.50000124.2
105T51.9Low53.8Low120 Ų120138.3 Ų138.374%0.73679%0.788SS**  trans83.8110.2137.7-46.60000118.7
106T51Low54.1Low138 Ų138137.7 Ų137.785%0.84779%0.785SS**  trans-83.3109.9163.4-46.90000109.2
107E61.9Low54.2Low159 Ų159136.5 Ų136.574%0.74379%0.787SS**  trans-102120.7171-158175.5-15600108.4
108V56.7Low54.4Low123 Ų123133.5 Ų133.575%0.74578%0.781SS**  trans-91.3107.1176.7178.30000108.1
109I64.9Low54.5Low135 Ų135136.4 Ų136.469%0.69279%0.788SS**  trans-96.9105.5174-59.4175.9000108.5
110T58.1Low54.8Low126 Ų126135.5 Ų135.577%0.77378%0.782SS**  trans-83.8114.1168.8-54.60000108.8
111K62.4Low55.1Low193 Ų193136.6 Ų136.684%0.83979%0.789SS**  trans-84.5113.6170.5-112-178.1177.7-179.90109.6
112E67.1Low55.2Low188 Ų188137.6 Ų137.688%0.87979%0.785SS**  trans-69.7119.5169-165.3172.5-170.600108.8
113M62.1Low55.4Low182 Ų182141.3 Ų141.390%0.89779%0.789SS**  trans-100.5112.8168.2-100.5-160.7-173.100109.2
114E60.9Low55.6Low181 Ų181143.7 Ų143.785%0.84679%0.793SS**  trans-57.1126.5175.3-167.7174.8-177.500111.7
115T58.7Low56.2Low136 Ų136144.8 Ų144.883%0.83479%0.793SS**  trans-95.7108.3178-620000109.3
116T58.7Low55.8Low111 Ų111145.2 Ų145.268%0.68180%0.796SS**  trans-87.7118.8169.9-62.50000109.4V118T116-V118 HydrophobicContact CG2-CG2 4.42Å
117A53.6Low55.6Low95 Ų95144.1 Ų144.179%0.78579%0.789SS**  trans-77.6116.6175.600000110.7
118V53.6Low54.7Low116 Ų116142.8 Ų142.870%0.70379%0.791SS**  trans-116.4110.3166.3179.70000108T116 T120T116-V118 HydrophobicContact CG2-CG2 4.42Å; V118-T120 PolarHBondContact O-N 3.19Å
119M55Low54.1Low188 Ų188142.5 Ų142.593%0.92679%0.79SS**  trans-69.1114.8169-70.6-164.9165.500108.9
120T48.1Very low53.3Low106 Ų106141.4 Ų141.465%0.6579%0.791SS**  trans-124.5109.8168.2-490000108.6V118 T122V118-T120 PolarHBondContact O-N 3.19Å; T120-T122 PolarHBondContact O-N 3.14Å
121T52.1Low52.8Low148 Ų148143 Ų14391%0.90879%0.794SS**  trans-74.6110.2170.1-37.50000107.4
122T53.5Low52.6Low116 Ų116136.9 Ų136.971%0.71277%0.773SS**  trans-118.3126.2178.7-55.60000109.7T120T120-T122 PolarHBondContact O-N 3.14Å
123D49Very low52.8Low150 Ų150131.3 Ų131.380%0.80276%0.755SS**  trans-48135.8178.2-76.4-49.7000113.5I125D123-I125 PolarHBondContact O-N 3Å
124M50.7Low53.9Low185 Ų185124.9 Ų124.991%0.91173%0.726SS**  trans-67.890.2172.5-68.9-107.5-133.300109.9T126M124-T126 PolarHBondContact O-N 3.26Å; M124-T126 VanDerWaalsContact O-N 3.1Å
125I49.3Very low55.4Low145 Ų145118.5 Ų118.574%0.74470%0.696SS**  trans-67.8105.1160.2-63.2177.1000107D123 T127D123-I125 PolarHBondContact O-N 3Å; I125-T127 VanDerWaalsContact C-N 3.34Å; I125-T127 PolarHBondContact O-N 3.25Å
126T44.9Very low57.2Low129 Ų129116.3 Ų116.379%0.79168%0.675SS**  trans-76.688.7170.9-3.10000107.9M124 V128M124-T126 PolarHBondContact O-N 3.26Å; M124-T126 VanDerWaalsContact O-N 3.1Å; T126-V128 PolarHBondContact O-N 3.31Å; T126-V128 VanDerWaalsContact O-N 3.1Å
127T47.2Very low59Low115 Ų115111.7 Ų111.771%0.70665%0.645SS**  trans-70.5103.3170.7-34.70000107.8I125 V129I125-T127 VanDerWaalsContact C-N 3.34Å; I125-T127 PolarHBondContact O-N 3.25Å; T127-V129 PolarHBondContact O-N 3.28Å
128V42.4Very low61Low131 Ų131108.7 Ų108.779%0.79462%0.619SS**  trans-64100.1175.2-168.60000107.6T126T126-V128 PolarHBondContact O-N 3.31Å; T126-V128 VanDerWaalsContact O-N 3.1Å
129V43.5Very low63.1Low117 Ų117103.8 Ų103.871%0.70959%0.589SS**PPolyproline II helixtrans-61.4124.8173.4178.70000107.3T127 I131T127-V129 PolarHBondContact O-N 3.28Å; V129-I131 PolarHBondContact O-N 2.89Å
130P48.2Very low65.1Low112 Ų112100.6 Ų100.673%0.72757%0.569SS**PPolyproline II helixtrans-58.1126.7179.121.3-30.5000109.6
131I48.5Very low67.3Low160 Ų16099 Ų9982%0.82156%0.563SS**PPolyproline II helixtrans-58.8121.9-178.5-62.4166000108V129 S133V129-I131 PolarHBondContact O-N 2.89Å; I131-S133 PolarHBondContact O-N 3.28Å
132P56.9Low69.2Low63 Ų6395.1 Ų95.141%0.40955%0.552SS.*PPolyproline II helixtrans-61.1137.7176.823.9-31.6000110V134P132-V134 VanDerWaalsContact C-N 3.28Å; P132-V134 HydrophobicContact CG-CG2 4.42Å; P132-V134 PolarHBondContact O-N 2.93Å
133S71.4Confident71.1Confident72 Ų7297 Ų9750%0.50356%0.557SS.*  trans-74.780.3178.956.30000110.2I131 H135I131-S133 PolarHBondContact O-N 3.28Å; S133-H135 PolarHBondContact O-N 2.84Å
134V86.6Confident73.3Confident46 Ų4691.3 Ų91.328%0.27953%0.529SS..  trans-75.3117.9177.8-169.70000109.2P132 Q150 N301P132-V134 VanDerWaalsContact C-N 3.28Å; P132-V134 HydrophobicContact CG-CG2 4.42Å; P132-V134 PolarHBondContact O-N 2.93Å; V134-Q150 HydrophobicContact CG1-CG 3.31Å; V134-N301 HydrophobicContact CG1-CB 4.32Å; V134-N301 HydrophobicContact CG2-CB 3.98Å
135H92.1Very high75.6Confident48 Ų4883.7 Ų83.722%0.22249%0.491CS..EExtended strand (participates in β ladder)trans-83.9142.2178.2-67.1-71.1000110.7S133 F137 Q150 S151 L173S133-H135 PolarHBondContact O-N 2.84Å; H135-F137 HydrophobicContact CB-CD2 4.46Å; H135-F137 HydrophobicContact CB-CE2 3.55Å; H135-F137 HydrophobicContact CB-CZ 3.82Å; H135-Q150 CarbonylContact O-C 3.6Å; H135-Q150 WeakPolarHBondContact O-CA 3.4Å; H135-S151 PolarHBondContact N-O 2.83Å; H135-S151 PolarHBondContact O-N 2.83Å; H135-L173 PolarHBondContact NE2-O 3.46Å
136K95.4Very high77.8Confident89 Ų8977.2 Ų77.239%0.38746%0.458SS..EExtended strand (participates in β ladder)trans-120.8134.7176.8-169.1-170.9-177.2-156.70109.8F149 Q150 E313K136-F149 CarbonylContact C-O 3.57Å; K136-F149 WeakPolarHBondContact CA-O 3.25Å; K136-Q150 HydrophobicContact CG-CB 4.46Å; K136-E313 WeakPolarHBondContact CE-OE1 3.26Å; K136-E313 PolarHBondContact NZ-O 2.93Å; K136-E313 IonicContact NZ-OE1 2.77Å; K136-E313 PolarHBondContact NZ-OE1 3.1Å
137F96.7Very high80.3Confident15 Ų1571 Ų717%0.06642%0.42CS..EExtended strand (participates in β ladder)trans-132.8144.9179.1-55.6-83.4000109.3H135 F149 L173 A176 I178 L192 L194H135-F137 HydrophobicContact CB-CD2 4.46Å; H135-F137 HydrophobicContact CB-CE2 3.55Å; H135-F137 HydrophobicContact CB-CZ 3.82Å; F137-F149 AromaticContact CD2-CD1 3.84Å; F137-F149 HydrophobicContact CD2-CD1 3.84Å; F137-F149 HydrophobicContact CD2-CE1 4.4Å; F137-F149 PolarHBondContact N-O 2.89Å; F137-F149 PolarHBondContact O-N 3.06Å; F137-L173 HydrophobicContact CZ-CD2 4.48Å; F137-A176 HydrophobicContact CE1-CB 4.12Å; F137-A176 HydrophobicContact CZ-CB 3.92Å; F137-I178 HydrophobicContact CB-CD1 4.13Å; F137-I178 HydrophobicContact CB-CG1 4.49Å; F137-I178 HydrophobicContact CD1-CD1 4.27Å; F137-I178 HydrophobicContact CD1-CG1 3.86Å; F137-L192 HydrophobicContact CB-CD2 4.27Å; F137-L194 HydrophobicContact CD1-CD1 4.46Å; F137-L194 HydrophobicContact CD1-CD2 3.52Å; F137-L194 HydrophobicContact CD2-CD1 4.22Å; F137-L194 HydrophobicContact CE1-CD1 4.13Å; F137-L194 HydrophobicContact CE1-CD2 3.64Å; F137-L194 HydrophobicContact CE2-CD1 3.81Å; F137-L194 HydrophobicContact CG-CD1 4.5Å; F137-L194 HydrophobicContact CG-CD2 3.99Å; F137-L194 HydrophobicContact CZ-CD1 3.77Å; F137-L194 HydrophobicContact CZ-CD2 4.17Å
138S97.1Very high82.8Confident32 Ų3265.6 Ų65.622%0.22439%0.387CS..EExtended strand (participates in β ladder)trans-142.7139.2-177.664.20000110.5F147 I178S138-F147 WeakPolarHBondContact CA-O 3.44Å; S138-I178 WeakPolarHBondContact O-CD1 3.47Å
139L97.5Very high85.4Confident13 Ų1359.4 Ų59.47%0.06835%0.349CS..EExtended strand (participates in β ladder)trans-115.1147.8171.5-54.7175.2000110.1Y145 C146 F147 I178 T190 L192L139-Y145 WeakPolarHBondContact O-CA 3.19Å; L139-C146 PolarHBondContact O-N 3.1Å; L139-C146 PolarHBondContact O-SG 2.94Å; L139-F147 HydrophobicContact CB-CB 4.08Å; L139-F147 HydrophobicContact CD1-CB 4.23Å; L139-F147 HydrophobicContact CD1-CD1 3.99Å; L139-F147 HydrophobicContact CD1-CG 4.37Å; L139-F147 HydrophobicContact CG-CB 4.32Å; L139-F147 HydrophobicContact CG-CD1 4.08Å; L139-F147 PolarHBondContact N-O 2.9Å; L139-I178 HydrophobicContact CD2-CD1 4.14Å; L139-I178 HydrophobicContact CD2-CG2 3.75Å; L139-T190 HydrophobicContact CD1-CG2 4.15Å; L139-L192 HydrophobicContact CD1-CD1 4.32Å; L139-L192 HydrophobicContact CD2-CD1 4.11Å; L139-L192 HydrophobicContact CG-CD1 4.33Å
140K95.8Very high87.9Confident120 Ų12056.2 Ų56.252%0.52233%0.327SS..EExtended strand (participates in β ladder)trans-116.7145.2175.4-70.7-174.9177.2-179.60111.1S144 Y145 C146K140-S144 CarbonylContact C-O 3.51Å; K140-S144 VanDerWaalsContact CA-O 3.27Å; K140-S144 WeakPolarHBondContact CA-O 3.41Å; K140-Y145 HydrophobicContact CD-CE1 4.25Å; K140-Y145 VanDerWaalsContact CE-CE2 3.48Å; K140-Y145 VanDerWaalsContact CE-OH 3.25Å; K140-Y145 WeakPolarHBondContact CE-OH 3.35Å; K140-Y145 HydrophobicContact CG-CD1 3.8Å; K140-Y145 HydrophobicContact CG-CE1 3.92Å; K140-Y145 HydrophobicContact CG-CG 4.28Å; K140-Y145 PolarHBondContact NZ-OH 3.22Å; K140-C146 VanDerWaalsContact C-SG 3.56Å
141S93.8Very high90.2Very high74 Ų7450.9 Ų50.952%0.51729%0.292SS..EExtended strand (participates in β ladder)trans-120104.7164.8-171.60000107.6N143 S144S141-N143 PolarHBondContact O-N 3.25Å; S141-S144 PolarHBondContact N-O 3.48Å; S141-S144 PolarHBondContact O-N 3.23Å
142G92.4Very high92.4Very high65 Ų6544.5 Ų44.567%0.6726%0.259SS*.THydrogen-bonded Turntrans63.8-123.5-167.900000112
143N94.3Very high94.2Very high156 Ų15641.6 Ų41.683%0.83424%0.24SC*.THydrogen-bonded Turntrans-93.6-2.8-178.2-69.3-12.5000113.9S141S141-N143 PolarHBondContact O-N 3.25Å
144S95.7Very high95.3Very high30 Ų3040.6 Ų40.621%0.2123%0.228CC..EExtended strand (participates in β ladder)trans-108143.6-178.1-62.60000110.9K140 S141 N309 N310K140-S144 CarbonylContact C-O 3.51Å; K140-S144 VanDerWaalsContact CA-O 3.27Å; K140-S144 WeakPolarHBondContact CA-O 3.41Å; S141-S144 PolarHBondContact N-O 3.48Å; S141-S144 PolarHBondContact O-N 3.23Å; S144-N309 WeakPolarHBondContact CB-OD1 3.42Å; S144-N309 PolarHBondContact OG-OD1 2.87Å; S144-N310 CarbonylContact C-O 3.6Å; S144-N310 WeakPolarHBondContact CA-O 3.44Å
145Y97Very high95.7Very high26 Ų2638.4 Ų38.410%0.10222%0.215CC..EExtended strand (participates in β ladder)trans-67.8134.9163.3-68.4-83.9000109.2L139 K140 L148 M308 N310 E313L139-Y145 WeakPolarHBondContact O-CA 3.19Å; K140-Y145 HydrophobicContact CD-CE1 4.25Å; K140-Y145 VanDerWaalsContact CE-CE2 3.48Å; K140-Y145 VanDerWaalsContact CE-OH 3.25Å; K140-Y145 WeakPolarHBondContact CE-OH 3.35Å; K140-Y145 HydrophobicContact CG-CD1 3.8Å; K140-Y145 HydrophobicContact CG-CE1 3.92Å; K140-Y145 HydrophobicContact CG-CG 4.28Å; K140-Y145 PolarHBondContact NZ-OH 3.22Å; Y145-L148 HydrophobicContact CD1-CD2 4.15Å; Y145-M308 CarbonylContact O-C 3.54Å; Y145-M308 WeakPolarHBondContact O-CG 3.09Å; Y145-N310 PolarHBondContact N-O 3.22Å; Y145-N310 PolarHBondContact O-N 2.78Å; Y145-E313 HydrophobicContact CD1-CB 4.37Å; Y145-E313 HydrophobicContact CD1-CG 3.94Å; Y145-E313 HydrophobicContact CD2-CB 4.16Å; Y145-E313 HydrophobicContact CE1-CB 3.81Å; Y145-E313 HydrophobicContact CE1-CG 3.41Å; Y145-E313 VanDerWaalsContact CE1-CG 3.41Å; Y145-E313 HydrophobicContact CE2-CB 3.61Å; Y145-E313 HydrophobicContact CE2-CG 4.18Å; Y145-E313 HydrophobicContact CG-CG 4.47Å; Y145-E313 PolarHBondContact OH-OE2 3.31Å
146C96.6Very high95.8Very high8 Ų837.4 Ų37.45%0.05421%0.21CC..EExtended strand (participates in β ladder)trans-113.7-18179.155.10000112.9L139 K140 C185 F307 M308L139-C146 PolarHBondContact O-N 3.1Å; L139-C146 PolarHBondContact O-SG 2.94Å; K140-C146 VanDerWaalsContact C-SG 3.56Å; C146-C185 HydrophobicContact CB-CB 3.48Å; C146-C185 VanDerWaalsContact CB-CB 3.48Å; C146-C185 WeakPolarHBondContact CB-SG 3.45Å; C146-C185 WeakPolarHBondContact SG-CB 3.04Å; C146-C185 CovalentContact SG-SG 2.02Å; C146-C185 PolarHBondContact SG-SG 3.41Å; C146-F307 PolarHBondContact O-N 3.1Å; C146-M308 WeakPolarHBondContact CA-O 3.42Å; C146-M308 PolarHBondContact O-N 2.94Å; C146-M308 VanDerWaalsContact O-N 3.13Å
147F98Very high95.8Very high0 Ų033.1 Ų33.10%019%0.192CC..EExtended strand (participates in β ladder)trans-156136.7-177.4-179.3-101.7000110.8S138 L139 F149 T190 L192 F213 V304 E305 A306S138-F147 WeakPolarHBondContact CA-O 3.44Å; L139-F147 HydrophobicContact CB-CB 4.08Å; L139-F147 HydrophobicContact CD1-CB 4.23Å; L139-F147 HydrophobicContact CD1-CD1 3.99Å; L139-F147 HydrophobicContact CD1-CG 4.37Å; L139-F147 HydrophobicContact CG-CB 4.32Å; L139-F147 HydrophobicContact CG-CD1 4.08Å; L139-F147 PolarHBondContact N-O 2.9Å; F147-F149 HydrophobicContact CD1-CB 4.31Å; F147-F149 HydrophobicContact CE1-CB 3.37Å; F147-F149 HydrophobicContact CE1-CG 4.32Å; F147-F149 HydrophobicContact CZ-CB 3.6Å; F147-F149 HydrophobicContact CZ-CD2 4.19Å; F147-F149 HydrophobicContact CZ-CG 4.26Å; F147-T190 HydrophobicContact CB-CG2 3.83Å; F147-T190 HydrophobicContact CD1-CG2 4.4Å; F147-T190 HydrophobicContact CD2-CG2 3.59Å; F147-T190 HydrophobicContact CE2-CG2 4.22Å; F147-T190 HydrophobicContact CG-CG2 3.7Å; F147-L192 HydrophobicContact CE1-CB 3.92Å; F147-L192 HydrophobicContact CE1-CD2 3.79Å; F147-L192 HydrophobicContact CE1-CG 4.27Å; F147-L192 HydrophobicContact CZ-CB 4.4Å; F147-L192 HydrophobicContact CZ-CD2 4.46Å; F147-F213 HydrophobicContact CE2-CD1 4.38Å; F147-F213 AromaticContact CE2-CD2 3.68Å; F147-F213 HydrophobicContact CE2-CD2 3.68Å; F147-F213 HydrophobicContact CE2-CE1 4.19Å; F147-F213 AromaticContact CE2-CE2 3.5Å; F147-F213 HydrophobicContact CE2-CE2 3.5Å; F147-F213 HydrophobicContact CE2-CG 4.13Å; F147-F213 AromaticContact CE2-CZ 3.78Å; F147-F213 HydrophobicContact CE2-CZ 3.78Å; F147-F213 AromaticContact CZ-CD2 3.96Å; F147-F213 HydrophobicContact CZ-CD2 3.96Å; F147-F213 AromaticContact CZ-CE2 3.36Å; F147-F213 HydrophobicContact CZ-CE2 3.36Å; F147-F213 AromaticContact CZ-CZ 3.71Å; F147-F213 HydrophobicContact CZ-CZ 3.71Å; F147-V304 HydrophobicContact CE2-CG2 3.63Å; F147-V304 HydrophobicContact CZ-CG2 3.91Å; F147-E305 WeakPolarHBondContact CA-O 3.18Å; F147-A306 HydrophobicContact CD2-CB 3.67Å; F147-A306 HydrophobicContact CE2-CB 3.99Å
148L98.1Very high95.7Very high0 Ų034.7 Ų34.70%020%0.199CC..EExtended strand (participates in β ladder)trans-129.4133170.7-62.7177.9000108.9Y145 V304 E305 M308 E313 A314 F315Y145-L148 HydrophobicContact CD1-CD2 4.15Å; L148-V304 VanDerWaalsContact O-CA 3.32Å; L148-V304 WeakPolarHBondContact O-CA 3.31Å; L148-E305 PolarHBondContact N-O 3.46Å; L148-E305 PolarHBondContact O-N 2.9Å; L148-M308 HydrophobicContact CB-SD 4.39Å; L148-M308 HydrophobicContact CD1-CE 3.77Å; L148-M308 HydrophobicContact CD1-SD 3.89Å; L148-M308 HydrophobicContact CG-CE 4.23Å; L148-M308 HydrophobicContact CG-SD 3.65Å; L148-E313 HydrophobicContact CD2-CG 3.56Å; L148-A314 VanDerWaalsContact CD1-O 3.29Å; L148-A314 WeakPolarHBondContact CD1-O 3.42Å; L148-F315 HydrophobicContact CB-CD1 4.27Å; L148-F315 HydrophobicContact CB-CE1 3.66Å; L148-F315 HydrophobicContact CB-CZ 3.98Å; L148-F315 HydrophobicContact CD1-CD1 4.44Å
149F97.8Very high95.5Very high1 Ų133.7 Ų33.70%0.00419%0.19CC..EExtended strand (participates in β ladder)trans-137.5131.2177.4177-84.5000109.8K136 F137 F147 I153 L192 L211 F213 M299 L302 K303 V304K136-F149 CarbonylContact C-O 3.57Å; K136-F149 WeakPolarHBondContact CA-O 3.25Å; F137-F149 AromaticContact CD2-CD1 3.84Å; F137-F149 HydrophobicContact CD2-CD1 3.84Å; F137-F149 HydrophobicContact CD2-CE1 4.4Å; F137-F149 PolarHBondContact N-O 2.89Å; F137-F149 PolarHBondContact O-N 3.06Å; F147-F149 HydrophobicContact CD1-CB 4.31Å; F147-F149 HydrophobicContact CE1-CB 3.37Å; F147-F149 HydrophobicContact CE1-CG 4.32Å; F147-F149 HydrophobicContact CZ-CB 3.6Å; F147-F149 HydrophobicContact CZ-CD2 4.19Å; F147-F149 HydrophobicContact CZ-CG 4.26Å; F149-I153 HydrophobicContact CE1-CD1 3.76Å; F149-I153 HydrophobicContact CZ-CD1 3.93Å; F149-L192 HydrophobicContact CB-CD2 4.18Å; F149-L192 HydrophobicContact CD1-CD2 4.17Å; F149-L192 HydrophobicContact CG-CD2 4.17Å; F149-L211 HydrophobicContact CD2-CD1 4.1Å; F149-L211 HydrophobicContact CE1-CD1 4.3Å; F149-L211 HydrophobicContact CE2-CD1 3.55Å; F149-L211 HydrophobicContact CZ-CD1 3.67Å; F149-F213 HydrophobicContact CD2-CZ 4.38Å; F149-M299 HydrophobicContact CZ-SD 4.26Å; F149-L302 HydrophobicContact CD2-CD1 4.09Å; F149-L302 HydrophobicContact CE2-CD1 3.45Å; F149-L302 VanDerWaalsContact CE2-CD1 3.45Å; F149-L302 HydrophobicContact CZ-CD1 3.86Å; F149-K303 CarbonylContact C-O 3.11Å; F149-K303 WeakPolarHBondContact CA-O 3Å; F149-V304 HydrophobicContact CD2-CB 4.12Å; F149-V304 HydrophobicContact CD2-CG2 4.08Å
150Q96.6Very high95.1Very high51 Ų5135.2 Ų35.224%0.23820%0.199CC..EExtended strand (participates in β ladder)trans-136.8127.9179.9176.9179.9-36.300108.8V134 H135 K136 L302 K303 F315V134-Q150 HydrophobicContact CG1-CG 3.31Å; H135-Q150 CarbonylContact O-C 3.6Å; H135-Q150 WeakPolarHBondContact O-CA 3.4Å; K136-Q150 HydrophobicContact CG-CB 4.46Å; Q150-L302 CarbonylContact O-C 3.49Å; Q150-L302 VanDerWaalsContact O-CA 3.28Å; Q150-L302 WeakPolarHBondContact O-CA 3.43Å; Q150-K303 HydrophobicContact CB-CB 4.24Å; Q150-K303 PolarHBondContact N-O 2.89Å; Q150-K303 PolarHBondContact O-N 3.44Å; Q150-F315 HydrophobicContact CB-CE2 4.23Å; Q150-F315 HydrophobicContact CB-CZ 4.02Å
151S95.8Very high94.9Very high0 Ų029.5 Ų29.50%017%0.174CC..EExtended strand (participates in β ladder)trans-167.3152.1179.4-170.30000111.7H135 K300H135-S151 PolarHBondContact N-O 2.83Å; H135-S151 PolarHBondContact O-N 2.83Å; S151-K300 PolarHBondContact OG-O 2.74Å
152D94.3Very high94.6Very high26 Ų2632.1 Ų32.114%0.13918%0.177CC..EExtended strand (participates in β ladder)trans-94111.6159.6173.817.8000108.3M299 K300D152-M299 WeakPolarHBondContact O-CA 3.13Å; D152-K300 HydrophobicContact CB-CB 4.2Å; D152-K300 PolarHBondContact N-O 3.17Å; D152-K300 PolarHBondContact O-N 3.37Å
153I94.6Very high94.5Very high1 Ų132.4 Ų32.41%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-107.6126.5-170.4-64.5171.5000109.8F149 F155 T172 L173 L209 L297 F298 M299F149-I153 HydrophobicContact CE1-CD1 3.76Å; F149-I153 HydrophobicContact CZ-CD1 3.93Å; I153-F155 HydrophobicContact CG2-CD2 4.06Å; I153-F155 HydrophobicContact CG2-CE1 4.46Å; I153-F155 HydrophobicContact CG2-CE2 3.42Å; I153-F155 VanDerWaalsContact CG2-CE2 3.42Å; I153-F155 HydrophobicContact CG2-CZ 3.66Å; I153-T172 WeakPolarHBondContact O-CA 3.39Å; I153-T172 WeakPolarHBondContact O-CG2 3.49Å; I153-L173 HydrophobicContact CB-CB 3.82Å; I153-L173 HydrophobicContact CB-CD2 4.03Å; I153-L173 HydrophobicContact CD1-CD2 3.66Å; I153-L173 HydrophobicContact CG1-CD2 4.35Å; I153-L173 HydrophobicContact CG2-CB 4.07Å; I153-L173 HydrophobicContact CG2-CD2 4.4Å; I153-L173 PolarHBondContact O-N 2.81Å; I153-L209 HydrophobicContact CD1-CD2 4.06Å; I153-L297 HydrophobicContact CG2-CD1 3.59Å; I153-F298 WeakPolarHBondContact CA-O 3.17Å; I153-M299 HydrophobicContact CG1-CG 4.22Å
154M94.4Very high94Very high52 Ų5234.1 Ų34.126%0.25617%0.169SC..EExtended strand (participates in β ladder)trans-127.7142.7172.8-179.1-177.164.400110.7F171 F298M154-F171 WeakPolarHBondContact CA-O 3.49Å; M154-F171 WeakPolarHBondContact CG-O 3.46Å; M154-F298 HydrophobicContact CB-CB 4.31Å; M154-F298 HydrophobicContact CE-CB 4.02Å; M154-F298 HydrophobicContact CE-CD2 3.58Å; M154-F298 HydrophobicContact CE-CE2 4.17Å; M154-F298 HydrophobicContact CE-CG 3.79Å; M154-F298 PolarHBondContact N-O 2.78Å; M154-F298 PolarHBondContact O-N 3.32Å
155F95Very high93.7Very high0 Ų037.9 Ų37.90%019%0.187CC..EExtended strand (participates in β ladder)trans-117.7148.2177.5-63.2-84.9000110.8I153 K170 F171 L173 F196 L209 L239 K296 L297I153-F155 HydrophobicContact CG2-CD2 4.06Å; I153-F155 HydrophobicContact CG2-CE1 4.46Å; I153-F155 HydrophobicContact CG2-CE2 3.42Å; I153-F155 VanDerWaalsContact CG2-CE2 3.42Å; I153-F155 HydrophobicContact CG2-CZ 3.66Å; F155-K170 CarbonylContact O-C 3.48Å; F155-K170 VanDerWaalsContact O-CA 3.27Å; F155-K170 WeakPolarHBondContact O-CA 3.38Å; F155-F171 HydrophobicContact CB-CD1 4.08Å; F155-F171 HydrophobicContact CB-CD2 4.21Å; F155-F171 HydrophobicContact CB-CE1 3.48Å; F155-F171 VanDerWaalsContact CB-CE1 3.48Å; F155-F171 HydrophobicContact CB-CE2 3.62Å; F155-F171 HydrophobicContact CB-CG 4.41Å; F155-F171 HydrophobicContact CB-CZ 3.2Å; F155-F171 HydrophobicContact CD1-CZ 4.48Å; F155-F171 AromaticContact CD2-CD2 3.96Å; F155-F171 HydrophobicContact CD2-CD2 3.96Å; F155-F171 AromaticContact CD2-CE2 3.21Å; F155-F171 HydrophobicContact CD2-CE2 3.21Å; F155-F171 AromaticContact CD2-CZ 3.61Å; F155-F171 HydrophobicContact CD2-CZ 3.61Å; F155-F171 HydrophobicContact CE2-CE2 4.04Å; F155-F171 HydrophobicContact CG-CE1 4.32Å; F155-F171 AromaticContact CG-CE2 3.67Å; F155-F171 HydrophobicContact CG-CE2 3.67Å; F155-F171 AromaticContact CG-CZ 3.54Å; F155-F171 HydrophobicContact CG-CZ 3.54Å; F155-F171 PolarHBondContact N-O 3.3Å; F155-F171 PolarHBondContact O-N 2.67Å; F155-L173 HydrophobicContact CE2-CB 4.4Å; F155-L173 HydrophobicContact CE2-CD1 4.45Å; F155-F196 HydrophobicContact CE2-CZ 4.11Å; F155-L209 HydrophobicContact CE1-CD1 4.09Å; F155-L209 HydrophobicContact CZ-CD1 3.88Å; F155-L209 HydrophobicContact CZ-CD2 3.92Å; F155-L209 HydrophobicContact CZ-CG 4.31Å; F155-L239 HydrophobicContact CD1-CD2 3.73Å; F155-L239 HydrophobicContact CE1-CB 4.5Å; F155-L239 HydrophobicContact CE1-CD1 4.03Å; F155-L239 HydrophobicContact CE1-CD2 3.9Å; F155-L239 HydrophobicContact CE1-CG 4.36Å; F155-L239 HydrophobicContact CG-CD2 4.36Å; F155-L239 HydrophobicContact CZ-CD1 4.08Å; F155-K296 CarbonylContact C-O 3.49Å; F155-K296 WeakPolarHBondContact CA-O 3.39Å; F155-L297 HydrophobicContact CD1-CB 4.47Å; F155-L297 HydrophobicContact CD1-CD1 4.01Å; F155-L297 HydrophobicContact CE1-CD1 3.65Å; F155-L297 HydrophobicContact CZ-CD1 4.05Å
156Q95.6Very high93.4Very high26 Ų2641.4 Ų41.412%0.12121%0.21CC..EExtended strand (participates in β ladder)trans-128.8101.8167-176.3175.58.800109F158 S168 Y169 K170 C295 K296 F298Q156-F158 HydrophobicContact CB-CE2 4.15Å; Q156-F158 HydrophobicContact CG-CD2 4.37Å; Q156-F158 HydrophobicContact CG-CE1 4.35Å; Q156-F158 HydrophobicContact CG-CE2 3.63Å; Q156-F158 HydrophobicContact CG-CZ 3.64Å; Q156-F158 WeakPolarHBondContact O-CD2 3.32Å; Q156-F158 WeakPolarHBondContact O-CE2 3.27Å; Q156-S168 PolarHBondContact NE2-OG 3.24Å; Q156-S168 VanDerWaalsContact NE2-OG 3.1Å; Q156-Y169 CarbonylContact C-O 3.59Å; Q156-Y169 WeakPolarHBondContact CA-O 3.16Å; Q156-K170 HydrophobicContact CB-CG 3.83Å; Q156-K170 HydrophobicContact CG-CD 4.4Å; Q156-K170 HydrophobicContact CG-CG 3.62Å; Q156-K170 VanDerWaalsContact NE2-CE 3.28Å; Q156-C295 CarbonylContact O-C 3.45Å; Q156-C295 VanDerWaalsContact O-CA 3.3Å; Q156-C295 WeakPolarHBondContact O-CA 3.05Å; Q156-K296 HydrophobicContact CB-CB 4.27Å; Q156-K296 PolarHBondContact N-O 3.18Å; Q156-K296 PolarHBondContact O-N 3.49Å; Q156-F298 HydrophobicContact CB-CE2 4.04Å
157V94.6Very high93.3Very high0 Ų044.1 Ų44.10%022%0.221CC..EExtended strand (participates in β ladder)trans-85.4128.7178.1171.50000109.4S168 Y169 F171 Y241 F248 C295V157-S168 CarbonylContact O-C 3.53Å; V157-S168 WeakPolarHBondContact O-CA 3.27Å; V157-Y169 PolarHBondContact N-O 2.7Å; V157-Y169 PolarHBondContact O-N 2.83Å; V157-F171 HydrophobicContact CG2-CE1 3.79Å; V157-F171 HydrophobicContact CG2-CZ 4.39Å; V157-Y241 HydrophobicContact CG1-CE1 4.43Å; V157-Y241 HydrophobicContact CG1-CE2 3.63Å; V157-Y241 WeakPolarHBondContact CG1-OH 3.48Å; V157-Y241 HydrophobicContact CG2-CE1 4.35Å; V157-Y241 HydrophobicContact CG2-CE2 4.39Å; V157-F248 HydrophobicContact CB-CE1 3.98Å; V157-F248 HydrophobicContact CB-CZ 4.34Å; V157-F248 HydrophobicContact CG1-CE1 3.6Å; V157-F248 HydrophobicContact CG1-CZ 4.02Å; V157-C295 HydrophobicContact CG2-CB 4.24Å
158F94.4Very high93Very high48 Ų4847 Ų4721%0.21124%0.241CC..EExtended strand (participates in β ladder)trans-105.7127.7174.9-61.6-95000109.4Q156 V166 K167 N293 N294 K296Q156-F158 HydrophobicContact CB-CE2 4.15Å; Q156-F158 HydrophobicContact CG-CD2 4.37Å; Q156-F158 HydrophobicContact CG-CE1 4.35Å; Q156-F158 HydrophobicContact CG-CE2 3.63Å; Q156-F158 HydrophobicContact CG-CZ 3.64Å; Q156-F158 WeakPolarHBondContact O-CD2 3.32Å; Q156-F158 WeakPolarHBondContact O-CE2 3.27Å; F158-V166 HydrophobicContact CB-CG1 4.1Å; F158-V166 HydrophobicContact CD1-CG1 4.19Å; F158-K167 WeakPolarHBondContact CA-O 3.35Å; F158-N293 WeakPolarHBondContact O-CB 3.32Å; F158-N294 WeakPolarHBondContact CB-O 3.42Å; F158-N294 PolarHBondContact N-O 3.43Å; F158-N294 PolarHBondContact O-N 3.03Å; F158-K296 HydrophobicContact CE2-CB 4.24Å; F158-K296 HydrophobicContact CE2-CD 3.88Å; F158-K296 HydrophobicContact CE2-CG 3.78Å; F158-K296 HydrophobicContact CZ-CD 4.08Å; F158-K296 HydrophobicContact CZ-CG 4.47Å
159Y92.1Very high92.8Very high10 Ų1050 Ų504%0.03925%0.253CS..EExtended strand (participates in β ladder)trans-136.6149.7-176.871.2-81.9000111.3K167 F248 P249Y159-K167 HydrophobicContact CD1-CB 4.1Å; Y159-K167 WeakPolarHBondContact CD1-O 3.42Å; Y159-K167 HydrophobicContact CE1-CB 3.49Å; Y159-K167 VanDerWaalsContact CE1-CB 3.49Å; Y159-K167 HydrophobicContact CE2-CB 4Å; Y159-K167 HydrophobicContact CE2-CD 4.22Å; Y159-K167 VanDerWaalsContact CZ-CB 3.45Å; Y159-K167 PolarHBondContact N-O 2.83Å; Y159-K167 PolarHBondContact O-N 2.76Å; Y159-K167 WeakPolarHBondContact OH-CD 3.4Å; Y159-F248 AromaticContact CD1-CD1 3.54Å; Y159-F248 HydrophobicContact CD1-CD1 3.54Å; Y159-F248 HydrophobicContact CD1-CE1 4.26Å; Y159-F248 HydrophobicContact CD1-CG 4.47Å; Y159-F248 HydrophobicContact CD2-CB 4.27Å; Y159-F248 HydrophobicContact CE1-CB 4.33Å; Y159-F248 AromaticContact CE1-CD1 3.68Å; Y159-F248 HydrophobicContact CE1-CD1 3.68Å; Y159-F248 HydrophobicContact CE2-CB 4.06Å; Y159-F248 HydrophobicContact CG-CB 4.47Å; Y159-F248 HydrophobicContact CG-CD1 4.05Å; Y159-P249 WeakPolarHBondContact CE2-O 3.4Å; Y159-P249 WeakPolarHBondContact OH-CD 3.45Å; Y159-P249 PolarHBondContact OH-O 2.83Å; Y159-P249 VanDerWaalsContact OH-O 3.05Å
160N90.3Very high92.6Very high46 Ų4655.6 Ų55.625%0.24628%0.278CS..EExtended strand (participates in β ladder)trans-85.3132.4177.1-67.5-63.8000110.5L252N160-L252 HydrophobicContact CB-CD1 3.63Å; N160-L252 HydrophobicContact CB-CG 4.27Å; N160-L252 PolarHBondContact O-N 3.02Å
161S90.6Very high92.3Very high0 Ų053.8 Ų53.80%027%0.269CS..BIsolated β-bridgetrans-93.8162.3176.570.20000113.3S163 K164 L165 D250S161-S163 PolarHBondContact O-N 3.05Å; S161-S163 VanDerWaalsContact O-N 3.15Å; S161-S163 PolarHBondContact OG-N 3.03Å; S161-S163 PolarHBondContact OG-OG 3.4Å; S161-K164 WeakPolarHBondContact O-CA 3.33Å; S161-K164 PolarHBondContact O-N 2.86Å; S161-L165 PolarHBondContact N-O 2.85Å; S161-L165 PolarHBondContact OG-N 2.91Å; S161-L165 PolarHBondContact OG-O 2.97Å; S161-D250 CarbonylContact C-O 3.36Å; S161-D250 WeakPolarHBondContact CA-O 3.39Å; S161-D250 WeakPolarHBondContact CB-O 3.4Å
162H88.8Confident92.1Very high128 Ų12856.3 Ų56.359%0.59328%0.284SS*.THydrogen-bonded Turntrans-55.2-26.8169.1-81.2-103.8000113.2K164 D250 S251 L252H162-K164 PolarHBondContact O-N 2.89Å; H162-D250 PolarHBondContact CD2-O 2.95Å; H162-D250 VanDerWaalsContact CD2-O 3.3Å; H162-D250 PolarHBondContact N-O 2.87Å; H162-S251 PolarHBondContact CD2-O 3.26Å; H162-S251 VanDerWaalsContact CD2-O 3.26Å; H162-S251 PolarHBondContact NE2-O 2.89Å; H162-L252 HydrophobicContact CB-CD2 4.43Å
163S89.3Confident91.9Very high72 Ų7255.1 Ų55.150%0.50328%0.278SS..THydrogen-bonded Turntrans-78.57.417470.20000113.9S161 L165S161-S163 PolarHBondContact O-N 3.05Å; S161-S163 VanDerWaalsContact O-N 3.15Å; S161-S163 PolarHBondContact OG-N 3.03Å; S161-S163 PolarHBondContact OG-OG 3.4Å; S163-L165 PolarHBondContact O-N 2.99Å
164K84.1Confident91.5Very high192 Ų19255.3 Ų55.384%0.83528%0.28SS*.SBendtrans58.924.9-175.1-54.3-178.4-179.6-179.60114S161 H162S161-K164 WeakPolarHBondContact O-CA 3.33Å; S161-K164 PolarHBondContact O-N 2.86Å; H162-K164 PolarHBondContact O-N 2.89Å
165L89.5Confident91.1Very high109 Ų10959 Ų5957%0.57130%0.3SS*.  trans-101.2147.3173.4-63.3176.7000109.4S161 S163S161-L165 PolarHBondContact N-O 2.85Å; S161-L165 PolarHBondContact OG-N 2.91Å; S161-L165 PolarHBondContact OG-O 2.97Å; S163-L165 PolarHBondContact O-N 2.99Å
166V91.4Very high91Very high99 Ų9959.8 Ų59.860%0.631%0.307SS*.EExtended strand (participates in β ladder)trans-84.8115.7169.3-178.60000107.7F158F158-V166 HydrophobicContact CB-CG1 4.1Å; F158-V166 HydrophobicContact CD1-CG1 4.19Å
167K93.4Very high90.9Very high65 Ų6562.9 Ų62.928%0.28333%0.328SS..EExtended strand (participates in β ladder)trans-100.6160.6172-68.9-176.4-178.9-179.90109.2F158 Y159 D250F158-K167 WeakPolarHBondContact CA-O 3.35Å; Y159-K167 HydrophobicContact CD1-CB 4.1Å; Y159-K167 WeakPolarHBondContact CD1-O 3.42Å; Y159-K167 HydrophobicContact CE1-CB 3.49Å; Y159-K167 VanDerWaalsContact CE1-CB 3.49Å; Y159-K167 HydrophobicContact CE2-CB 4Å; Y159-K167 HydrophobicContact CE2-CD 4.22Å; Y159-K167 VanDerWaalsContact CZ-CB 3.45Å; Y159-K167 PolarHBondContact N-O 2.83Å; Y159-K167 PolarHBondContact O-N 2.76Å; Y159-K167 WeakPolarHBondContact OH-CD 3.4Å; K167-D250 IonicContact NZ-OD2 2.74Å; K167-D250 PolarHBondContact NZ-OD2 2.81Å
168S93.3Very high91Very high60 Ų6064.9 Ų64.942%0.4234%0.338SS..EExtended strand (participates in β ladder)trans-135.2145.3175.579.70000112.5Q156 V157Q156-S168 PolarHBondContact NE2-OG 3.24Å; Q156-S168 VanDerWaalsContact NE2-OG 3.1Å; V157-S168 CarbonylContact O-C 3.53Å; V157-S168 WeakPolarHBondContact O-CA 3.27Å
169Y92.4Very high91.1Very high64 Ų6464.2 Ų64.225%0.25134%0.337SS..EExtended strand (participates in β ladder)trans-123.7125.1175-178.8-108.3000109.7Q156 V157 F171 L247 F248Q156-Y169 CarbonylContact C-O 3.59Å; Q156-Y169 WeakPolarHBondContact CA-O 3.16Å; V157-Y169 PolarHBondContact N-O 2.7Å; V157-Y169 PolarHBondContact O-N 2.83Å; Y169-F171 HydrophobicContact CD1-CB 4.5Å; Y169-F171 AromaticContact CD1-CD1 3.66Å; Y169-F171 HydrophobicContact CD1-CD1 3.66Å; Y169-F171 HydrophobicContact CD1-CE1 4.41Å; Y169-F171 HydrophobicContact CD1-CG 4.48Å; Y169-F171 HydrophobicContact CE1-CB 3.83Å; Y169-F171 AromaticContact CE1-CD1 3.71Å; Y169-F171 HydrophobicContact CE1-CD1 3.71Å; Y169-F171 HydrophobicContact CE1-CG 4.09Å; Y169-L247 HydrophobicContact CE1-CD2 3.95Å; Y169-L247 HydrophobicContact CE2-CD2 4.24Å; Y169-L247 WeakPolarHBondContact OH-CD2 3.32Å; Y169-F248 HydrophobicContact CD1-CE1 4.31Å; Y169-F248 HydrophobicContact CD1-CZ 4.4Å; Y169-F248 HydrophobicContact CG-CE1 4.4Å
170K93.2Very high91.2Very high119 Ų11969.7 Ų69.752%0.51737%0.366SS..EExtended strand (participates in β ladder)trans-103.5136178.3-72.3-173175.9-176.90110.3F155 Q156F155-K170 CarbonylContact O-C 3.48Å; F155-K170 VanDerWaalsContact O-CA 3.27Å; F155-K170 WeakPolarHBondContact O-CA 3.38Å; Q156-K170 HydrophobicContact CB-CG 3.83Å; Q156-K170 HydrophobicContact CG-CD 4.4Å; Q156-K170 HydrophobicContact CG-CG 3.62Å; Q156-K170 VanDerWaalsContact NE2-CE 3.28Å
171F90.9Very high91.3Very high12 Ų1275.1 Ų75.15%0.05340%0.395CS..EExtended strand (participates in β ladder)trans-149.8147.8174.861.5-83.4000111M154 F155 V157 Y169 F196 W207M154-F171 WeakPolarHBondContact CA-O 3.49Å; M154-F171 WeakPolarHBondContact CG-O 3.46Å; F155-F171 HydrophobicContact CB-CD1 4.08Å; F155-F171 HydrophobicContact CB-CD2 4.21Å; F155-F171 HydrophobicContact CB-CE1 3.48Å; F155-F171 VanDerWaalsContact CB-CE1 3.48Å; F155-F171 HydrophobicContact CB-CE2 3.62Å; F155-F171 HydrophobicContact CB-CG 4.41Å; F155-F171 HydrophobicContact CB-CZ 3.2Å; F155-F171 HydrophobicContact CD1-CZ 4.48Å; F155-F171 AromaticContact CD2-CD2 3.96Å; F155-F171 HydrophobicContact CD2-CD2 3.96Å; F155-F171 AromaticContact CD2-CE2 3.21Å; F155-F171 HydrophobicContact CD2-CE2 3.21Å; F155-F171 AromaticContact CD2-CZ 3.61Å; F155-F171 HydrophobicContact CD2-CZ 3.61Å; F155-F171 HydrophobicContact CE2-CE2 4.04Å; F155-F171 HydrophobicContact CG-CE1 4.32Å; F155-F171 AromaticContact CG-CE2 3.67Å; F155-F171 HydrophobicContact CG-CE2 3.67Å; F155-F171 AromaticContact CG-CZ 3.54Å; F155-F171 HydrophobicContact CG-CZ 3.54Å; F155-F171 PolarHBondContact N-O 3.3Å; F155-F171 PolarHBondContact O-N 2.67Å; V157-F171 HydrophobicContact CG2-CE1 3.79Å; V157-F171 HydrophobicContact CG2-CZ 4.39Å; Y169-F171 HydrophobicContact CD1-CB 4.5Å; Y169-F171 AromaticContact CD1-CD1 3.66Å; Y169-F171 HydrophobicContact CD1-CD1 3.66Å; Y169-F171 HydrophobicContact CD1-CE1 4.41Å; Y169-F171 HydrophobicContact CD1-CG 4.48Å; Y169-F171 HydrophobicContact CE1-CB 3.83Å; Y169-F171 AromaticContact CE1-CD1 3.71Å; Y169-F171 HydrophobicContact CE1-CD1 3.71Å; Y169-F171 HydrophobicContact CE1-CG 4.09Å; F171-F196 HydrophobicContact CD2-CE2 4.47Å; F171-F196 AromaticContact CE2-CE2 3.81Å; F171-F196 HydrophobicContact CE2-CE2 3.81Å; F171-F196 HydrophobicContact CE2-CZ 4.24Å; F171-W207 HydrophobicContact CD1-CH2 4.5Å; F171-W207 AromaticContact CD1-CZ3 3.93Å; F171-W207 HydrophobicContact CD1-CZ3 3.93Å; F171-W207 AromaticContact CD2-CZ3 3.99Å; F171-W207 HydrophobicContact CD2-CZ3 3.99Å; F171-W207 HydrophobicContact CE1-CE3 4.34Å; F171-W207 HydrophobicContact CE1-CH2 4.13Å; F171-W207 AromaticContact CE1-CZ3 3.43Å; F171-W207 HydrophobicContact CE1-CZ3 3.43Å; F171-W207 VanDerWaalsContact CE1-CZ3 3.43Å; F171-W207 AromaticContact CE2-CE3 3.76Å; F171-W207 HydrophobicContact CE2-CE3 3.76Å; F171-W207 AromaticContact CE2-CZ3 3.5Å; F171-W207 HydrophobicContact CE2-CZ3 3.5Å; F171-W207 HydrophobicContact CG-CZ3 4.2Å; F171-W207 AromaticContact CZ-CE3 3.67Å; F171-W207 HydrophobicContact CZ-CE3 3.67Å; F171-W207 HydrophobicContact CZ-CH2 4.28Å; F171-W207 AromaticContact CZ-CZ3 3.2Å; F171-W207 HydrophobicContact CZ-CZ3 3.2Å
172T91.7Very high91.5Very high53 Ų5378.7 Ų78.733%0.32541%0.412SS..EExtended strand (participates in β ladder)trans-91.2144.1171.5-54.30000109.1I153 S174I153-T172 WeakPolarHBondContact O-CA 3.39Å; I153-T172 WeakPolarHBondContact O-CG2 3.49Å; T172-S174 PolarHBondContact O-N 2.83Å
173L91.3Very high91.9Very high1 Ų173.4 Ų73.41%0.00539%0.389CS..  trans-63.9119.7171.4-176.369.3000108.5H135 F137 I153 F155 A176 L194 F196H135-L173 PolarHBondContact NE2-O 3.46Å; F137-L173 HydrophobicContact CZ-CD2 4.48Å; I153-L173 HydrophobicContact CB-CB 3.82Å; I153-L173 HydrophobicContact CB-CD2 4.03Å; I153-L173 HydrophobicContact CD1-CD2 3.66Å; I153-L173 HydrophobicContact CG1-CD2 4.35Å; I153-L173 HydrophobicContact CG2-CB 4.07Å; I153-L173 HydrophobicContact CG2-CD2 4.4Å; I153-L173 PolarHBondContact O-N 2.81Å; F155-L173 HydrophobicContact CE2-CB 4.4Å; F155-L173 HydrophobicContact CE2-CD1 4.45Å; L173-A176 HydrophobicContact CD1-CB 3.83Å; L173-A176 HydrophobicContact CD2-CB 4Å; L173-A176 HydrophobicContact CG-CB 3.9Å; L173-L194 HydrophobicContact CD2-CD1 4.1Å; L173-F196 HydrophobicContact CD1-CB 3.91Å; L173-F196 HydrophobicContact CD1-CD1 3.28Å; L173-F196 HydrophobicContact CD1-CD2 3.56Å; L173-F196 HydrophobicContact CD1-CE1 3.51Å; L173-F196 HydrophobicContact CD1-CE2 3.76Å; L173-F196 HydrophobicContact CD1-CG 3.3Å; L173-F196 HydrophobicContact CD1-CZ 3.73Å
174S85.5Confident92.3Very high6 Ų672.5 Ų72.54%0.04238%0.381CS..  trans-135.4144.9178.258.90000109.8T172 A176 Y199T172-S174 PolarHBondContact O-N 2.83Å; S174-A176 PolarHBondContact O-N 2.88Å; S174-Y199 VanDerWaalsContact CB-CZ 3.44Å; S174-Y199 VanDerWaalsContact CB-OH 3.25Å; S174-Y199 WeakPolarHBondContact CB-OH 3.48Å; S174-Y199 WeakPolarHBondContact OG-CE2 3.15Å; S174-Y199 VanDerWaalsContact OG-CZ 3.29Å
175N85.5Confident92.9Very high128 Ų12864.6 Ų64.668%0.68435%0.35SS*.SBendtrans55.737177.4-53.8-31.4000113.6
176A93Very high93.1Very high18 Ų1861.3 Ų61.315%0.14934%0.336CS..  trans-77.3136.7176.900000111.2F137 L173 S174 L194 T195 F196F137-A176 HydrophobicContact CE1-CB 4.12Å; F137-A176 HydrophobicContact CZ-CB 3.92Å; L173-A176 HydrophobicContact CD1-CB 3.83Å; L173-A176 HydrophobicContact CD2-CB 4Å; L173-A176 HydrophobicContact CG-CB 3.9Å; S174-A176 PolarHBondContact O-N 2.88Å; A176-L194 HydrophobicContact CB-CB 4.45Å; A176-T195 WeakPolarHBondContact CA-O 3.45Å; A176-F196 HydrophobicContact CB-CB 3.87Å
177T94.6Very high93.2Very high91 Ų9163.6 Ų63.656%0.55834%0.34SS*.EExtended strand (participates in β ladder)trans-116.5144.8175.656.80000109.5L194 T195T177-L194 WeakPolarHBondContact O-CA 3.45Å; T177-T195 PolarHBondContact N-O 2.75Å; T177-T195 PolarHBondContact O-N 2.78Å; T177-T195 PolarHBondContact OG1-O 2.85Å
178I96.7Very high93.3Very high42 Ų4265.6 Ų65.622%0.21535%0.35CS..EExtended strand (participates in β ladder)trans-68.8133.1173.8-58.6177.8000108.5F137 S138 L139 D180 S183 L192 L194F137-I178 HydrophobicContact CB-CD1 4.13Å; F137-I178 HydrophobicContact CB-CG1 4.49Å; F137-I178 HydrophobicContact CD1-CD1 4.27Å; F137-I178 HydrophobicContact CD1-CG1 3.86Å; S138-I178 WeakPolarHBondContact O-CD1 3.47Å; L139-I178 HydrophobicContact CD2-CD1 4.14Å; L139-I178 HydrophobicContact CD2-CG2 3.75Å; I178-D180 PolarHBondContact O-N 3.27Å; I178-S183 WeakPolarHBondContact CG2-OG 3.44Å; I178-L192 HydrophobicContact CG1-CD1 4.33Å; I178-L192 HydrophobicContact CG2-CD1 4.35Å; I178-L194 HydrophobicContact CG1-CD2 3.97Å
179N95.9Very high93.5Very high34 Ų3467.5 Ų67.518%0.18235%0.349CS..  trans-89.295.6168.3-178.2-8000108.1N181 E182 S183 S193N179-N181 PolarHBondContact O-N 3.12Å; N179-N181 PolarHBondContact OD1-N 3.45Å; N179-E182 HydrophobicContact CB-CB 4.38Å; N179-E182 WeakPolarHBondContact ND2-CG 3.47Å; N179-E182 PolarHBondContact ND2-OE1 2.84Å; N179-E182 PolarHBondContact O-N 3.25Å; N179-E182 VanDerWaalsContact O-N 3.12Å; N179-S183 WeakPolarHBondContact O-CB 3.4Å; N179-S183 PolarHBondContact O-N 3.45Å; N179-S183 PolarHBondContact O-OG 3.31Å; N179-S193 PolarHBondContact N-O 3.07Å
180D92.9Very high93.7Very high124 Ų12464.5 Ų64.566%0.66334%0.337SS*.THydrogen-bonded Turntrans-62.9-27.4-175.2-64.8-37.4000113I178 E182I178-D180 PolarHBondContact O-N 3.27Å; D180-E182 VanDerWaalsContact C-N 3.28Å; D180-E182 PolarHBondContact O-N 3.21Å
181N94.1Very high93.9Very high160 Ų16061.5 Ų61.586%0.85632%0.324SS*.THydrogen-bonded Turntrans-73.7-22.5178.6-66.9-17.2000112.7N179N179-N181 PolarHBondContact O-N 3.12Å; N179-N181 PolarHBondContact OD1-N 3.45Å
182E95.2Very high94.3Very high76 Ų7661 Ų6136%0.35532%0.322SS..THydrogen-bonded Turntrans-110.3-18.7-178.1-74.4-174.7-16200113.9N179 D180 K191 S193N179-E182 HydrophobicContact CB-CB 4.38Å; N179-E182 WeakPolarHBondContact ND2-CG 3.47Å; N179-E182 PolarHBondContact ND2-OE1 2.84Å; N179-E182 PolarHBondContact O-N 3.25Å; N179-E182 VanDerWaalsContact O-N 3.12Å; D180-E182 VanDerWaalsContact C-N 3.28Å; D180-E182 PolarHBondContact O-N 3.21Å; E182-K191 VanDerWaalsContact O-CD 3.26Å; E182-K191 WeakPolarHBondContact O-CD 3.31Å; E182-K191 WeakPolarHBondContact O-CE 3.4Å; E182-K191 PolarHBondContact O-NZ 2.93Å; E182-S193 PolarHBondContact OE2-OG 2.77Å
183S97.3Very high94.6Very high16 Ų1658.4 Ų58.411%0.11231%0.306CS..  trans-85.3132.8178.3-56.50000109.6I178 N179 K191 S193I178-S183 WeakPolarHBondContact CG2-OG 3.44Å; N179-S183 WeakPolarHBondContact O-CB 3.4Å; N179-S183 PolarHBondContact O-N 3.45Å; N179-S183 PolarHBondContact O-OG 3.31Å; S183-K191 CarbonylContact C-O 3.49Å; S183-K191 WeakPolarHBondContact CA-O 3.25Å; S183-S193 PolarHBondContact OG-N 3.16Å; S183-S193 PolarHBondContact OG-O 2.81Å
184V96.8Very high94.8Very high53 Ų5358.4 Ų58.432%0.32131%0.306SS..EExtended strand (participates in β ladder)trans-147.3139.6-174.352.80000110.5Y189 T190 K191V184-Y189 HydrophobicContact CG1-CD2 4.31Å; V184-Y189 HydrophobicContact CG1-CE2 3.51Å; V184-T190 CarbonylContact O-C 3.47Å; V184-T190 VanDerWaalsContact O-CA 3.28Å; V184-T190 WeakPolarHBondContact O-CA 2.98Å; V184-K191 HydrophobicContact CG1-CB 3.76Å; V184-K191 PolarHBondContact N-O 3.39Å; V184-K191 PolarHBondContact O-N 2.78Å
185C96.2Very high95.3Very high27 Ų2759 Ų5918%0.18231%0.31CS..EExtended strand (participates in β ladder)trans-110.8115.2165.2-72.70000108.7C146C146-C185 HydrophobicContact CB-CB 3.48Å; C146-C185 VanDerWaalsContact CB-CB 3.48Å; C146-C185 WeakPolarHBondContact CB-SG 3.45Å; C146-C185 WeakPolarHBondContact SG-CB 3.04Å; C146-C185 CovalentContact SG-SG 2.02Å; C146-C185 PolarHBondContact SG-SG 3.41Å
186S94.7Very high95.7Very high39 Ų3953.2 Ų53.227%0.27328%0.278SS..  trans-117.5177.517175.20000110.2H188 Y189S186-H188 VanDerWaalsContact C-N 3.27Å; S186-H188 PolarHBondContact O-N 2.9Å; S186-H188 PolarHBondContact OG-N 2.82Å; S186-Y189 PolarHBondContact N-O 2.88Å; S186-Y189 WeakPolarHBondContact OG-CD1 3.47Å; S186-Y189 WeakPolarHBondContact OG-CE1 3.44Å; S186-Y189 PolarHBondContact OG-N 2.86Å; S186-Y189 PolarHBondContact OG-O 2.86Å
187E93.2Very high95.5Very high147 Ų14754.5 Ų54.569%0.68728%0.282SS*.SBendtrans-67.8-28.5176.7-62.6-173.6169.200112.9R215E187-R215 WeakPolarHBondContact O-CD 3.16Å
188H94.9Very high94.9Very high108 Ų10850.3 Ų50.350%0.526%0.257SS..SBendtrans-107.4-26.6-172.8-59.6-58.5000114.2S186 R215 E217S186-H188 VanDerWaalsContact C-N 3.27Å; S186-H188 PolarHBondContact O-N 2.9Å; S186-H188 PolarHBondContact OG-N 2.82Å; H188-R215 PolarHBondContact O-N 2.81Å; H188-E217 IonicContact CE1-OE1 2.78Å
189Y96.6Very high93.8Very high100 Ų10055.5 Ų55.539%0.39228%0.275SS..EExtended strand (participates in β ladder)trans-146.5151.7178.470-84.8000111.8V184 S186 L212 F213 N214V184-Y189 HydrophobicContact CG1-CD2 4.31Å; V184-Y189 HydrophobicContact CG1-CE2 3.51Å; S186-Y189 PolarHBondContact N-O 2.88Å; S186-Y189 WeakPolarHBondContact OG-CD1 3.47Å; S186-Y189 WeakPolarHBondContact OG-CE1 3.44Å; S186-Y189 PolarHBondContact OG-N 2.86Å; S186-Y189 PolarHBondContact OG-O 2.86Å; Y189-L212 HydrophobicContact CD2-CD1 3.93Å; Y189-L212 HydrophobicContact CG-CD1 4.48Å; Y189-F213 CarbonylContact C-O 3.57Å; Y189-F213 WeakPolarHBondContact CA-O 3.38Å; Y189-F213 WeakPolarHBondContact CB-O 3.41Å; Y189-N214 WeakPolarHBondContact CB-OD1 3.19Å
190T97.6Very high92.2Very high1 Ų157.3 Ų57.31%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-123.3126.6169.7-630000108.7L139 F147 V184 F213L139-T190 HydrophobicContact CD1-CG2 4.15Å; F147-T190 HydrophobicContact CB-CG2 3.83Å; F147-T190 HydrophobicContact CD1-CG2 4.4Å; F147-T190 HydrophobicContact CD2-CG2 3.59Å; F147-T190 HydrophobicContact CE2-CG2 4.22Å; F147-T190 HydrophobicContact CG-CG2 3.7Å; V184-T190 CarbonylContact O-C 3.47Å; V184-T190 VanDerWaalsContact O-CA 3.28Å; V184-T190 WeakPolarHBondContact O-CA 2.98Å; T190-F213 PolarHBondContact N-O 3.36Å; T190-F213 PolarHBondContact O-N 3.28Å
191K97.8Very high91.1Very high56 Ų5654.6 Ų54.624%0.24328%0.282CS..EExtended strand (participates in β ladder)trans-114.5122.6176.6-177.4-177.7167.4-154.10108.5E182 S183 V184 V210 L211 L212E182-K191 VanDerWaalsContact O-CD 3.26Å; E182-K191 WeakPolarHBondContact O-CD 3.31Å; E182-K191 WeakPolarHBondContact O-CE 3.4Å; E182-K191 PolarHBondContact O-NZ 2.93Å; S183-K191 CarbonylContact C-O 3.49Å; S183-K191 WeakPolarHBondContact CA-O 3.25Å; V184-K191 HydrophobicContact CG1-CB 3.76Å; V184-K191 PolarHBondContact N-O 3.39Å; V184-K191 PolarHBondContact O-N 2.78Å; K191-V210 HydrophobicContact CD-CG1 4.11Å; K191-V210 VanDerWaalsContact CE-CG1 3.43Å; K191-V210 HydrophobicContact CG-CG1 3.78Å; K191-L211 WeakPolarHBondContact CA-O 3.5Å; K191-L212 HydrophobicContact CB-CD1 4.1Å
192L98.1Very high89.8Confident0 Ų052.7 Ų52.70%027%0.272CS..EExtended strand (participates in β ladder)trans-104117.2168.6176.466.4000108.3F137 L139 F147 F149 I178 L194 V210 L211F137-L192 HydrophobicContact CB-CD2 4.27Å; L139-L192 HydrophobicContact CD1-CD1 4.32Å; L139-L192 HydrophobicContact CD2-CD1 4.11Å; L139-L192 HydrophobicContact CG-CD1 4.33Å; F147-L192 HydrophobicContact CE1-CB 3.92Å; F147-L192 HydrophobicContact CE1-CD2 3.79Å; F147-L192 HydrophobicContact CE1-CG 4.27Å; F147-L192 HydrophobicContact CZ-CB 4.4Å; F147-L192 HydrophobicContact CZ-CD2 4.46Å; F149-L192 HydrophobicContact CB-CD2 4.18Å; F149-L192 HydrophobicContact CD1-CD2 4.17Å; F149-L192 HydrophobicContact CG-CD2 4.17Å; I178-L192 HydrophobicContact CG1-CD1 4.33Å; I178-L192 HydrophobicContact CG2-CD1 4.35Å; L192-L194 HydrophobicContact CD1-CD2 3.81Å; L192-L194 HydrophobicContact CD1-CG 4.45Å; L192-L194 HydrophobicContact CD2-CD1 4.25Å; L192-L194 HydrophobicContact CD2-CD2 4.09Å; L192-L194 HydrophobicContact CD2-CG 4.13Å; L192-L194 HydrophobicContact CG-CD2 3.97Å; L192-L194 HydrophobicContact CG-CG 4.06Å; L192-V210 WeakPolarHBondContact O-CA 3.42Å; L192-L211 HydrophobicContact CB-CB 4.49Å; L192-L211 HydrophobicContact CD2-CD1 4.35Å; L192-L211 PolarHBondContact N-O 2.81Å; L192-L211 PolarHBondContact O-N 2.77Å
193S97.9Very high88.9Confident0 Ų056.2 Ų56.20%029%0.288CS..EExtended strand (participates in β ladder)trans-109118.8172.7-173.20000109N179 E182 S183 T208 L209N179-S193 PolarHBondContact N-O 3.07Å; E182-S193 PolarHBondContact OE2-OG 2.77Å; S183-S193 PolarHBondContact OG-N 3.16Å; S183-S193 PolarHBondContact OG-O 2.81Å; S193-T208 WeakPolarHBondContact OG-CG2 3.37Å; S193-L209 WeakPolarHBondContact CA-O 3.38Å
194L97.3Very high88.1Confident1 Ų162.7 Ų62.71%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-109.9132.3178-59.9-178.4000109.5F137 L173 A176 T177 I178 L192 T208 L209F137-L194 HydrophobicContact CD1-CD1 4.46Å; F137-L194 HydrophobicContact CD1-CD2 3.52Å; F137-L194 HydrophobicContact CD2-CD1 4.22Å; F137-L194 HydrophobicContact CE1-CD1 4.13Å; F137-L194 HydrophobicContact CE1-CD2 3.64Å; F137-L194 HydrophobicContact CE2-CD1 3.81Å; F137-L194 HydrophobicContact CG-CD1 4.5Å; F137-L194 HydrophobicContact CG-CD2 3.99Å; F137-L194 HydrophobicContact CZ-CD1 3.77Å; F137-L194 HydrophobicContact CZ-CD2 4.17Å; L173-L194 HydrophobicContact CD2-CD1 4.1Å; A176-L194 HydrophobicContact CB-CB 4.45Å; T177-L194 WeakPolarHBondContact O-CA 3.45Å; I178-L194 HydrophobicContact CG1-CD2 3.97Å; L192-L194 HydrophobicContact CD1-CD2 3.81Å; L192-L194 HydrophobicContact CD1-CG 4.45Å; L192-L194 HydrophobicContact CD2-CD1 4.25Å; L192-L194 HydrophobicContact CD2-CD2 4.09Å; L192-L194 HydrophobicContact CD2-CG 4.13Å; L192-L194 HydrophobicContact CG-CD2 3.97Å; L192-L194 HydrophobicContact CG-CG 4.06Å; L194-T208 CarbonylContact O-C 3.5Å; L194-T208 VanDerWaalsContact O-CA 3.25Å; L194-T208 WeakPolarHBondContact O-CA 3.43Å; L194-L209 HydrophobicContact CB-CB 4.41Å; L194-L209 HydrophobicContact CD1-CD2 4.34Å; L194-L209 PolarHBondContact N-O 2.9Å; L194-L209 PolarHBondContact O-N 2.89Å
195T95.3Very high87.5Confident19 Ų1962.3 Ų62.312%0.11731%0.311CS..EExtended strand (participates in β ladder)trans-110.4133.7173.2-56.10000109.6A176 T177 K206 W207A176-T195 WeakPolarHBondContact CA-O 3.45Å; T177-T195 PolarHBondContact N-O 2.75Å; T177-T195 PolarHBondContact O-N 2.78Å; T177-T195 PolarHBondContact OG1-O 2.85Å; T195-K206 HydrophobicContact CG2-CB 3.57Å; T195-K206 HydrophobicContact CG2-CD 3.67Å; T195-K206 HydrophobicContact CG2-CG 4.1Å; T195-W207 CarbonylContact C-O 3.55Å; T195-W207 WeakPolarHBondContact CA-O 3.32Å
196F93.5Very high87.3Confident5 Ų565.9 Ų65.92%0.02232%0.323CS..EExtended strand (participates in β ladder)trans-150162-177.961-82.9000111.5F155 F171 L173 A176 W207 L209 L239F155-F196 HydrophobicContact CE2-CZ 4.11Å; F171-F196 HydrophobicContact CD2-CE2 4.47Å; F171-F196 AromaticContact CE2-CE2 3.81Å; F171-F196 HydrophobicContact CE2-CE2 3.81Å; F171-F196 HydrophobicContact CE2-CZ 4.24Å; L173-F196 HydrophobicContact CD1-CB 3.91Å; L173-F196 HydrophobicContact CD1-CD1 3.28Å; L173-F196 HydrophobicContact CD1-CD2 3.56Å; L173-F196 HydrophobicContact CD1-CE1 3.51Å; L173-F196 HydrophobicContact CD1-CE2 3.76Å; L173-F196 HydrophobicContact CD1-CG 3.3Å; L173-F196 HydrophobicContact CD1-CZ 3.73Å; A176-F196 HydrophobicContact CB-CB 3.87Å; F196-W207 HydrophobicContact CD1-CB 4.48Å; F196-W207 HydrophobicContact CD2-CB 4.24Å; F196-W207 HydrophobicContact CE1-CB 4.12Å; F196-W207 HydrophobicContact CE2-CB 3.88Å; F196-W207 HydrophobicContact CE2-CD2 4.42Å; F196-W207 AromaticContact CE2-CE3 3.73Å; F196-W207 HydrophobicContact CE2-CE3 3.73Å; F196-W207 HydrophobicContact CZ-CB 3.82Å; F196-W207 HydrophobicContact CZ-CE3 4.21Å; F196-W207 PolarHBondContact N-O 2.97Å; F196-W207 PolarHBondContact O-N 2.92Å; F196-L209 HydrophobicContact CE1-CB 3.99Å; F196-L239 HydrophobicContact CE1-CD1 4.3Å; F196-L239 HydrophobicContact CZ-CD1 3.89Å
197I88.6Confident87.2Confident45 Ų4564.1 Ų64.123%0.23131%0.311CS..  trans-115.6122178.1-59.3168000107.1R201 E203 K206I197-R201 HydrophobicContact CG2-CB 3.84Å; I197-E203 HydrophobicContact CD1-CB 4.32Å; I197-E203 HydrophobicContact CD1-CG 4.01Å; I197-K206 HydrophobicContact CD1-CG 4.48Å; I197-K206 HydrophobicContact CG1-CG 4.03Å
198P81.8Confident87.4Confident4 Ų458.4 Ų58.43%0.02629%0.286CS..  trans-63.2145.4174.230.1-37.5000110G200 R201 W207 L247P198-G200 PolarHBondContact O-N 2.8Å; P198-R201 HydrophobicContact CG-CB 4.4Å; P198-R201 HydrophobicContact CG-CG 3.94Å; P198-R201 PolarHBondContact O-N 3.37Å; P198-W207 HydrophobicContact CB-CD2 4.4Å; P198-W207 HydrophobicContact CB-CE3 4.1Å; P198-W207 HydrophobicContact CB-CH2 3.9Å; P198-W207 HydrophobicContact CB-CZ2 4.22Å; P198-W207 HydrophobicContact CB-CZ3 3.78Å; P198-W207 HydrophobicContact CG-CD2 3.88Å; P198-W207 HydrophobicContact CG-CE3 4.1Å; P198-W207 HydrophobicContact CG-CH2 3.89Å; P198-W207 HydrophobicContact CG-CZ2 3.67Å; P198-W207 HydrophobicContact CG-CZ3 4.04Å; P198-L247 HydrophobicContact CB-CD1 4.09Å; P198-L247 HydrophobicContact CG-CD1 3.8Å
199Y73.5Confident87.5Confident151 Ų15153.3 Ų53.359%0.59226%0.262SS*.THydrogen-bonded Turntrans-45.1131.2-176-76.6-76.9000113.6S174S174-Y199 VanDerWaalsContact CB-CZ 3.44Å; S174-Y199 VanDerWaalsContact CB-OH 3.25Å; S174-Y199 WeakPolarHBondContact CB-OH 3.48Å; S174-Y199 WeakPolarHBondContact OG-CE2 3.15Å; S174-Y199 VanDerWaalsContact OG-CZ 3.29Å
200G63.2Low87.5Confident72 Ų7249.8 Ų49.874%0.74225%0.251SS*.THydrogen-bonded Turntrans79.62817300000115.3P198P198-G200 PolarHBondContact O-N 2.8Å
201R69.7Low87.6Confident66 Ų6649.8 Ų49.825%0.24925%0.251CS..  trans-123.1159.2-178.1-63.7-63.7169.9-134.3-11.6114.7I197 P198 D244 N246 L247I197-R201 HydrophobicContact CG2-CB 3.84Å; P198-R201 HydrophobicContact CG-CB 4.4Å; P198-R201 HydrophobicContact CG-CG 3.94Å; P198-R201 PolarHBondContact O-N 3.37Å; R201-D244 IonicContact CZ-OD1 3.56Å; R201-D244 IonicContact NE-OD1 3.62Å; R201-D244 IonicContact NE-OD2 3.88Å; R201-D244 IonicContact NH1-OD1 3.78Å; R201-D244 IonicContact NH2-OD1 3.99Å; R201-N246 PolarHBondContact NH1-ND2 2.88Å; R201-N246 VanDerWaalsContact NH2-C 3.26Å; R201-N246 PolarHBondContact NH2-O 2.94Å; R201-L247 HydrophobicContact CG-CD1 4.27Å; R201-L247 VanDerWaalsContact NE-CG 3.34Å; R201-L247 VanDerWaalsContact NH2-CG 3.26Å
202N67.6Low87.6Confident121 Ų12149.3 Ų49.365%0.64725%0.251SS*.  trans-72.8151.9175.8-59.6-19.4000110.6E204N202-E204 PolarHBondContact O-N 2.89Å; N202-E204 VanDerWaalsContact O-N 3.1Å
203E75.1Confident87.5Confident149 Ų14949.3 Ų49.370%0.69625%0.251SS*.THydrogen-bonded Turntrans-67.1-9.2-178.9-59.2-170.4170.400114.4I197 H205 K206I197-E203 HydrophobicContact CD1-CB 4.32Å; I197-E203 HydrophobicContact CD1-CG 4.01Å; E203-H205 VanDerWaalsContact C-N 3.32Å; E203-H205 PolarHBondContact O-N 2.91Å; E203-K206 WeakPolarHBondContact O-CE 3.44Å; E203-K206 WeakPolarHBondContact O-CG 3.32Å
204E80Confident87.5Confident153 Ų15351.5 Ų51.572%0.71526%0.263SS*.THydrogen-bonded Turntrans-73.3-20-177.8-65.7-174.2172.200114N202N202-E204 PolarHBondContact O-N 2.89Å; N202-E204 VanDerWaalsContact O-N 3.1Å
205H86Confident87.4Confident45 Ų4555.4 Ų55.421%0.20828%0.278CS..SBendtrans-123.655.4-171.9-61.3-29.4000112E203 W207 Y242E203-H205 VanDerWaalsContact C-N 3.32Å; E203-H205 PolarHBondContact O-N 2.91Å; H205-W207 VanDerWaalsContact O-CD1 3.22Å; H205-Y242 HydrophobicContact CB-CD1 3.81Å; H205-Y242 HydrophobicContact CB-CE1 4.49Å; H205-Y242 HydrophobicContact CB-CG 3.93Å; H205-Y242 AromaticContact CD2-CD1 3.44Å; H205-Y242 VanDerWaalsContact CD2-CD1 3.44Å; H205-Y242 WeakPolarHBondContact CD2-CD1 3.44Å; H205-Y242 AromaticContact CD2-CE1 3.26Å; H205-Y242 WeakPolarHBondContact CD2-CE1 3.2Å; H205-Y242 AromaticContact CD2-CZ 3.91Å; H205-Y242 AromaticContact CE1-CE1 3.92Å; H205-Y242 AromaticContact CE1-CZ 3.76Å; H205-Y242 AromaticContact CG-CD1 3.51Å; H205-Y242 AromaticContact CG-CE1 3.72Å; H205-Y242 AromaticContact CG-CG 3.85Å; H205-Y242 AromaticContact NE2-CE1 3.4Å; H205-Y242 WeakPolarHBondContact NE2-CE1 3.33Å; H205-Y242 AromaticContact NE2-CZ 3.6Å
206K90.6Very high87.3Confident101 Ų10159.4 Ų59.444%0.43930%0.296SS..  trans-63.3140.7176.9-60.5-178-178.2-179.20110.8T195 I197 E203T195-K206 HydrophobicContact CG2-CB 3.57Å; T195-K206 HydrophobicContact CG2-CD 3.67Å; T195-K206 HydrophobicContact CG2-CG 4.1Å; I197-K206 HydrophobicContact CD1-CG 4.48Å; I197-K206 HydrophobicContact CG1-CG 4.03Å; E203-K206 WeakPolarHBondContact O-CE 3.44Å; E203-K206 WeakPolarHBondContact O-CG 3.32Å
207W93.9Very high87Confident2 Ų264.8 Ų64.81%0.00832%0.321CS..EExtended strand (participates in β ladder)trans-100151174.9-64.64.8000109.2F171 T195 F196 P198 H205 T240 L247 F248F171-W207 HydrophobicContact CD1-CH2 4.5Å; F171-W207 AromaticContact CD1-CZ3 3.93Å; F171-W207 HydrophobicContact CD1-CZ3 3.93Å; F171-W207 AromaticContact CD2-CZ3 3.99Å; F171-W207 HydrophobicContact CD2-CZ3 3.99Å; F171-W207 HydrophobicContact CE1-CE3 4.34Å; F171-W207 HydrophobicContact CE1-CH2 4.13Å; F171-W207 AromaticContact CE1-CZ3 3.43Å; F171-W207 HydrophobicContact CE1-CZ3 3.43Å; F171-W207 VanDerWaalsContact CE1-CZ3 3.43Å; F171-W207 AromaticContact CE2-CE3 3.76Å; F171-W207 HydrophobicContact CE2-CE3 3.76Å; F171-W207 AromaticContact CE2-CZ3 3.5Å; F171-W207 HydrophobicContact CE2-CZ3 3.5Å; F171-W207 HydrophobicContact CG-CZ3 4.2Å; F171-W207 AromaticContact CZ-CE3 3.67Å; F171-W207 HydrophobicContact CZ-CE3 3.67Å; F171-W207 HydrophobicContact CZ-CH2 4.28Å; F171-W207 AromaticContact CZ-CZ3 3.2Å; F171-W207 HydrophobicContact CZ-CZ3 3.2Å; T195-W207 CarbonylContact C-O 3.55Å; T195-W207 WeakPolarHBondContact CA-O 3.32Å; F196-W207 HydrophobicContact CD1-CB 4.48Å; F196-W207 HydrophobicContact CD2-CB 4.24Å; F196-W207 HydrophobicContact CE1-CB 4.12Å; F196-W207 HydrophobicContact CE2-CB 3.88Å; F196-W207 HydrophobicContact CE2-CD2 4.42Å; F196-W207 AromaticContact CE2-CE3 3.73Å; F196-W207 HydrophobicContact CE2-CE3 3.73Å; F196-W207 HydrophobicContact CZ-CB 3.82Å; F196-W207 HydrophobicContact CZ-CE3 4.21Å; F196-W207 PolarHBondContact N-O 2.97Å; F196-W207 PolarHBondContact O-N 2.92Å; P198-W207 HydrophobicContact CB-CD2 4.4Å; P198-W207 HydrophobicContact CB-CE3 4.1Å; P198-W207 HydrophobicContact CB-CH2 3.9Å; P198-W207 HydrophobicContact CB-CZ2 4.22Å; P198-W207 HydrophobicContact CB-CZ3 3.78Å; P198-W207 HydrophobicContact CG-CD2 3.88Å; P198-W207 HydrophobicContact CG-CE3 4.1Å; P198-W207 HydrophobicContact CG-CH2 3.89Å; P198-W207 HydrophobicContact CG-CZ2 3.67Å; P198-W207 HydrophobicContact CG-CZ3 4.04Å; H205-W207 VanDerWaalsContact O-CD1 3.22Å; W207-T240 WeakPolarHBondContact CA-O 3.35Å; W207-L247 HydrophobicContact CH2-CD1 3.71Å; W207-L247 HydrophobicContact CZ2-CD1 3.57Å; W207-F248 HydrophobicContact CH2-CE2 4.1Å; W207-F248 AromaticContact CH2-CZ 3.97Å; W207-F248 HydrophobicContact CH2-CZ 3.97Å; W207-F248 AromaticContact CZ2-CE2 3.95Å; W207-F248 HydrophobicContact CZ2-CE2 3.95Å; W207-F248 HydrophobicContact CZ2-CZ 4.27Å
208T95.9Very high86.7Confident27 Ų2764.2 Ų64.217%0.16632%0.321CS..EExtended strand (participates in β ladder)trans-126.7128.2-177-54.90000110.5S193 L194 V210 L239 T240S193-T208 WeakPolarHBondContact OG-CG2 3.37Å; L194-T208 CarbonylContact O-C 3.5Å; L194-T208 VanDerWaalsContact O-CA 3.25Å; L194-T208 WeakPolarHBondContact O-CA 3.43Å; T208-V210 HydrophobicContact CG2-CG2 3.95Å; T208-L239 WeakPolarHBondContact O-CA 3.5Å; T208-T240 PolarHBondContact N-O 3.27Å; T208-T240 PolarHBondContact O-N 2.02Å
209L97.4Very high86.3Confident1 Ų169.9 Ų69.91%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-109.4123.6168.7174.768.1000108.7I153 F155 S193 L194 F196 L211 I237 T238I153-L209 HydrophobicContact CD1-CD2 4.06Å; F155-L209 HydrophobicContact CE1-CD1 4.09Å; F155-L209 HydrophobicContact CZ-CD1 3.88Å; F155-L209 HydrophobicContact CZ-CD2 3.92Å; F155-L209 HydrophobicContact CZ-CG 4.31Å; S193-L209 WeakPolarHBondContact CA-O 3.38Å; L194-L209 HydrophobicContact CB-CB 4.41Å; L194-L209 HydrophobicContact CD1-CD2 4.34Å; L194-L209 PolarHBondContact N-O 2.9Å; L194-L209 PolarHBondContact O-N 2.89Å; F196-L209 HydrophobicContact CE1-CB 3.99Å; L209-L211 HydrophobicContact CD1-CD2 4.2Å; L209-L211 HydrophobicContact CD2-CD2 4.4Å; L209-L211 HydrophobicContact CD2-CG 4.48Å; L209-L211 HydrophobicContact CG-CD2 4.28Å; L209-L211 HydrophobicContact CG-CG 4.41Å; L209-I237 HydrophobicContact CD1-CG2 4.01Å; L209-T238 CarbonylContact C-O 3.51Å; L209-T238 WeakPolarHBondContact CA-O 3.3Å
210V97.8Very high86Confident26 Ų2671.3 Ų71.316%0.15836%0.36CS..EExtended strand (participates in β ladder)trans-114.4124.8175.4-178.70000109.4K191 L192 T208 I237 T238K191-V210 HydrophobicContact CD-CG1 4.11Å; K191-V210 VanDerWaalsContact CE-CG1 3.43Å; K191-V210 HydrophobicContact CG-CG1 3.78Å; L192-V210 WeakPolarHBondContact O-CA 3.42Å; T208-V210 HydrophobicContact CG2-CG2 3.95Å; V210-I237 WeakPolarHBondContact O-CA 3.26Å; V210-T238 PolarHBondContact N-O 3.13Å; V210-T238 PolarHBondContact O-N 3.34Å
211L97.9Very high86.1Confident1 Ų173.1 Ų73.11%0.00536%0.357CS..EExtended strand (participates in β ladder)trans-111.8124.2171.3-54.3177.4000108.6F149 K191 L192 L209 F213 L234 I237F149-L211 HydrophobicContact CD2-CD1 4.1Å; F149-L211 HydrophobicContact CE1-CD1 4.3Å; F149-L211 HydrophobicContact CE2-CD1 3.55Å; F149-L211 HydrophobicContact CZ-CD1 3.67Å; K191-L211 WeakPolarHBondContact CA-O 3.5Å; L192-L211 HydrophobicContact CB-CB 4.49Å; L192-L211 HydrophobicContact CD2-CD1 4.35Å; L192-L211 PolarHBondContact N-O 2.81Å; L192-L211 PolarHBondContact O-N 2.77Å; L209-L211 HydrophobicContact CD1-CD2 4.2Å; L209-L211 HydrophobicContact CD2-CD2 4.4Å; L209-L211 HydrophobicContact CD2-CG 4.48Å; L209-L211 HydrophobicContact CG-CD2 4.28Å; L209-L211 HydrophobicContact CG-CG 4.41Å; L211-F213 HydrophobicContact CB-CE2 3.73Å; L211-F213 HydrophobicContact CB-CZ 4.41Å; L211-L234 HydrophobicContact CB-CD1 4.21Å; L211-I237 HydrophobicContact CD2-CB 4.31Å; L211-I237 HydrophobicContact CD2-CD1 4.24Å; L211-I237 HydrophobicContact CD2-CG1 3.85Å; L211-I237 HydrophobicContact CD2-CG2 3.89Å
212L97.8Very high85.5Confident46 Ų4673.1 Ų73.124%0.24137%0.367CS..EExtended strand (participates in β ladder)trans-112.9120.2179.1-177.565.9000110.6Y189 K191 D235 S236Y189-L212 HydrophobicContact CD2-CD1 3.93Å; Y189-L212 HydrophobicContact CG-CD1 4.48Å; K191-L212 HydrophobicContact CB-CD1 4.1Å; L212-D235 PolarHBondContact O-N 2.89Å; L212-S236 PolarHBondContact N-O 2.87Å; L212-S236 PolarHBondContact O-N 2.93Å
213F97.9Very high85.1Confident0 Ų076 Ų760%038%0.382CS..EExtended strand (participates in β ladder)trans-107129.2175.8-60.5-99.7000109.5F147 F149 Y189 T190 L211 Y232 T233 L234 F267 V304 F307F147-F213 HydrophobicContact CE2-CD1 4.38Å; F147-F213 AromaticContact CE2-CD2 3.68Å; F147-F213 HydrophobicContact CE2-CD2 3.68Å; F147-F213 HydrophobicContact CE2-CE1 4.19Å; F147-F213 AromaticContact CE2-CE2 3.5Å; F147-F213 HydrophobicContact CE2-CE2 3.5Å; F147-F213 HydrophobicContact CE2-CG 4.13Å; F147-F213 AromaticContact CE2-CZ 3.78Å; F147-F213 HydrophobicContact CE2-CZ 3.78Å; F147-F213 AromaticContact CZ-CD2 3.96Å; F147-F213 HydrophobicContact CZ-CD2 3.96Å; F147-F213 AromaticContact CZ-CE2 3.36Å; F147-F213 HydrophobicContact CZ-CE2 3.36Å; F147-F213 AromaticContact CZ-CZ 3.71Å; F147-F213 HydrophobicContact CZ-CZ 3.71Å; F149-F213 HydrophobicContact CD2-CZ 4.38Å; Y189-F213 CarbonylContact C-O 3.57Å; Y189-F213 WeakPolarHBondContact CA-O 3.38Å; Y189-F213 WeakPolarHBondContact CB-O 3.41Å; T190-F213 PolarHBondContact N-O 3.36Å; T190-F213 PolarHBondContact O-N 3.28Å; L211-F213 HydrophobicContact CB-CE2 3.73Å; L211-F213 HydrophobicContact CB-CZ 4.41Å; F213-Y232 HydrophobicContact CD1-CD2 4.33Å; F213-T233 CarbonylContact C-O 3.09Å; F213-T233 WeakPolarHBondContact CA-O 3.25Å; F213-L234 HydrophobicContact CD1-CB 4.08Å; F213-L234 HydrophobicContact CD1-CD1 4.31Å; F213-L234 HydrophobicContact CD2-CD1 4.4Å; F213-L234 HydrophobicContact CE1-CB 3.9Å; F213-L234 HydrophobicContact CE1-CD1 4.01Å; F213-L234 HydrophobicContact CE1-CD2 4.49Å; F213-L234 HydrophobicContact CE1-CG 4.35Å; F213-L234 HydrophobicContact CE2-CD1 4.07Å; F213-L234 HydrophobicContact CG-CD1 4.5Å; F213-L234 HydrophobicContact CZ-CD1 3.86Å; F213-L234 HydrophobicContact CZ-CD2 4.48Å; F213-F267 HydrophobicContact CE1-CE2 4.17Å; F213-F267 AromaticContact CE1-CZ 3.83Å; F213-F267 HydrophobicContact CE1-CZ 3.83Å; F213-V304 HydrophobicContact CE1-CG2 3.68Å; F213-V304 HydrophobicContact CZ-CG2 3.81Å; F213-F307 HydrophobicContact CB-CE2 4.29Å
214N97Very high84.4Confident47 Ų4773.7 Ų73.725%0.25138%0.375SS..EExtended strand (participates in β ladder)trans-110.4144.3175.3-68.3-36.6000109.9Y189 Y232 T233 D235Y189-N214 WeakPolarHBondContact CB-OD1 3.19Å; N214-Y232 CarbonylContact O-C 3.55Å; N214-Y232 WeakPolarHBondContact O-CA 3.49Å; N214-T233 PolarHBondContact N-O 2.88Å; N214-T233 PolarHBondContact O-N 2.9Å; N214-T233 PolarHBondContact O-OG1 2.97Å; N214-D235 WeakPolarHBondContact CB-OD2 3.39Å; N214-D235 PolarHBondContact ND2-OD2 2.96Å
215R95.7Very high83.4Confident83 Ų8371 Ų7131%0.31338%0.379SS..EExtended strand (participates in β ladder)trans-100.3123.3171.8-176.2-176.6178178.2-1108.4E187 H188 S230 I231 V271 F307E187-R215 WeakPolarHBondContact O-CD 3.16Å; H188-R215 PolarHBondContact O-N 2.81Å; R215-S230 PolarHBondContact NE-OG 2.88Å; R215-S230 PolarHBondContact NH2-OG 2.75Å; R215-S230 VanDerWaalsContact NH2-OG 3.15Å; R215-I231 CarbonylContact C-O 3.57Å; R215-I231 WeakPolarHBondContact CA-O 3.34Å; R215-V271 HydrophobicContact CG-CG2 4.17Å; R215-F307 HydrophobicContact CB-CD1 4.1Å; R215-F307 HydrophobicContact CB-CD2 4.21Å; R215-F307 HydrophobicContact CB-CE1 3.74Å; R215-F307 HydrophobicContact CB-CE2 3.89Å; R215-F307 HydrophobicContact CB-CG 4.31Å; R215-F307 HydrophobicContact CB-CZ 3.63Å
216M92.2Very high82.2Confident103 Ų10372.6 Ų72.651%0.50739%0.392SS..EExtended strand (participates in β ladder)trans-99.6124.4171-55.5176.165.200108.7S230 I231 T233M216-S230 WeakPolarHBondContact O-CA 3.48Å; M216-S230 WeakPolarHBondContact O-CB 3.46Å; M216-I231 HydrophobicContact CB-CD1 4.27Å; M216-I231 HydrophobicContact CB-CG1 3.73Å; M216-I231 HydrophobicContact CG-CG1 4.36Å; M216-I231 PolarHBondContact N-O 2.78Å; M216-I231 PolarHBondContact O-N 3.36Å; M216-I231 HydrophobicContact SD-CD1 4Å; M216-I231 HydrophobicContact SD-CG1 4.35Å; M216-T233 HydrophobicContact SD-CG2 4.33Å
217E87.5Confident80.8Confident118 Ų11875.8 Ų75.855%0.55141%0.414SS*.PPolyproline II helixtrans-69.8146.9171.3-73.1-175.2-16200110.5H188 N219H188-E217 IonicContact CE1-OE1 2.78Å; E217-N219 PolarHBondContact O-N 3.33Å
218P82.4Confident79.6Confident33 Ų3379.5 Ų79.521%0.21444%0.437CS..PPolyproline II helixtrans-59.2132.8173.728.9-36.1000109.2K220 V228P218-K220 PolarHBondContact O-N 3.43Å; P218-V228 HydrophobicContact CB-CB 3.69Å; P218-V228 HydrophobicContact CB-CG1 3.6Å; P218-V228 VanDerWaalsContact CB-O 3.26Å; P218-V228 WeakPolarHBondContact CB-O 3.32Å; P218-V228 VanDerWaalsContact CG-O 3.28Å; P218-V228 WeakPolarHBondContact CG-O 3.45Å
219N72.5Confident78.9Confident123 Ų12381 Ų8166%0.65845%0.448SS*.  trans-68102.6174-167.1-1.9000108E217 T221E217-N219 PolarHBondContact O-N 3.33Å; N219-T221 PolarHBondContact ND2-OG1 2.78Å; N219-T221 VanDerWaalsContact ND2-OG1 3.09Å; N219-T221 PolarHBondContact O-N 2.82Å; N219-T221 VanDerWaalsContact OD1-CG2 3.22Å; N219-T221 WeakPolarHBondContact OD1-CG2 3.32Å; N219-T221 PolarHBondContact OD1-OG1 2.89Å
220K67.7Low78.6Confident180 Ų18081.7 Ų81.778%0.78345%0.453SS*.THydrogen-bonded Turntrans-69.419.7-176.9-64-179.3-179.5170.70113.7P218P218-K220 PolarHBondContact O-N 3.43Å
221T64.9Low78.4Confident111 Ų11183.1 Ų83.168%0.68146%0.459SS*.THydrogen-bonded Turntrans-88.6-9.5-17345.10000114.1N219N219-T221 PolarHBondContact ND2-OG1 2.78Å; N219-T221 VanDerWaalsContact ND2-OG1 3.09Å; N219-T221 PolarHBondContact O-N 2.82Å; N219-T221 VanDerWaalsContact OD1-CG2 3.22Å; N219-T221 WeakPolarHBondContact OD1-CG2 3.32Å; N219-T221 PolarHBondContact OD1-OG1 2.89Å
222S57.3Low78.3Confident66 Ų6683.1 Ų83.146%0.46246%0.459SS..SBendtrans-92.5128.1165.364.50000109.8D224S222-D224 PolarHBondContact O-N 3.39Å
223N60Low78.3Confident181 Ų18181 Ų8197%0.96845%0.448SS*.  trans-66.119.5164.5-70.5-52.1000112.3A225N223-A225 PolarHBondContact O-N 3.03Å
224D60.1Low78.2Confident100 Ų10081 Ų8154%0.53545%0.448SS..  trans-83.2113.3179.7-166.424000107.3S222 T226S222-D224 PolarHBondContact O-N 3.39Å; D224-T226 PolarHBondContact O-N 2.98Å; D224-T226 WeakPolarHBondContact OD2-CG2 3.49Å; D224-T226 PolarHBondContact OD2-OG1 2.77Å
225A58.2Low78Confident98 Ų9880.5 Ų80.581%0.8145%0.446SS*.  trans-69.819.5-177.500000113.1N223N223-A225 PolarHBondContact O-N 3.03Å
226T61.8Low78Confident77 Ų7777.5 Ų77.547%0.47244%0.437SS..SBendtrans-75.1123.5172.450.80000107.7D224 V228D224-T226 PolarHBondContact O-N 2.98Å; D224-T226 WeakPolarHBondContact OD2-CG2 3.49Å; D224-T226 PolarHBondContact OD2-OG1 2.77Å; T226-V228 WeakPolarHBondContact O-CG2 3.36Å; T226-V228 PolarHBondContact O-N 2.82Å
227N61.3Low78.3Confident168 Ų16872.6 Ų72.690%0.89841%0.413SS*.  trans-6480.8178.2-74.3-53.4000109.9S229N227-S229 PolarHBondContact O-N 3.32Å
228V67.5Low78.7Confident81 Ų8168.8 Ų68.849%0.49140%0.398SS..  trans-70.9102.2175.6-170.50000107P218 T226P218-V228 HydrophobicContact CB-CB 3.69Å; P218-V228 HydrophobicContact CB-CG1 3.6Å; P218-V228 VanDerWaalsContact CB-O 3.26Å; P218-V228 WeakPolarHBondContact CB-O 3.32Å; P218-V228 VanDerWaalsContact CG-O 3.28Å; P218-V228 WeakPolarHBondContact CG-O 3.45Å; T226-V228 WeakPolarHBondContact O-CG2 3.36Å; T226-V228 PolarHBondContact O-N 2.82Å
229S81.8Confident79.4Confident58 Ų5867.2 Ų67.241%0.40639%0.388SS..  trans-63.9144.4172.552.60000109.9N227N227-S229 PolarHBondContact O-N 3.32Å
230S90.9Very high80.5Confident16 Ų1663 Ų6311%0.11237%0.367CS..  trans-51.5148.1166.2-53.20000110.1R215 M216 V271R215-S230 PolarHBondContact NE-OG 2.88Å; R215-S230 PolarHBondContact NH2-OG 2.75Å; R215-S230 VanDerWaalsContact NH2-OG 3.15Å; M216-S230 WeakPolarHBondContact O-CA 3.48Å; M216-S230 WeakPolarHBondContact O-CB 3.46Å; S230-V271 WeakPolarHBondContact O-CB 3.44Å; S230-V271 WeakPolarHBondContact O-CG2 2.99Å; S230-V271 PolarHBondContact O-N 2.79Å
231I94.4Very high81.8Confident56 Ų5654.5 Ų54.529%0.28733%0.329SS..EExtended strand (participates in β ladder)trans-110.2153.1173.362.7176.4000109.2R215 M216 I269R215-I231 CarbonylContact C-O 3.57Å; R215-I231 WeakPolarHBondContact CA-O 3.34Å; M216-I231 HydrophobicContact CB-CD1 4.27Å; M216-I231 HydrophobicContact CB-CG1 3.73Å; M216-I231 HydrophobicContact CG-CG1 4.36Å; M216-I231 PolarHBondContact N-O 2.78Å; M216-I231 PolarHBondContact O-N 3.36Å; M216-I231 HydrophobicContact SD-CD1 4Å; M216-I231 HydrophobicContact SD-CG1 4.35Å; I231-I269 CarbonylContact C-O 3.47Å; I231-I269 VanDerWaalsContact CA-O 3.28Å; I231-I269 WeakPolarHBondContact CA-O 3.35Å
232Y96.3Very high83.1Confident0 Ų051 Ų510%030%0.304CS..EExtended strand (participates in β ladder)trans-120.6149.7166.470.6-89.9000111.5F213 N214 F267 R268 I269 V271 S273 V304 A306 F307F213-Y232 HydrophobicContact CD1-CD2 4.33Å; N214-Y232 CarbonylContact O-C 3.55Å; N214-Y232 WeakPolarHBondContact O-CA 3.49Å; Y232-F267 HydrophobicContact CE2-CE2 4.26Å; Y232-R268 CarbonylContact O-C 3.52Å; Y232-R268 WeakPolarHBondContact O-CA 3.4Å; Y232-I269 HydrophobicContact CD1-CB 4.14Å; Y232-I269 HydrophobicContact CD1-CG2 4.49Å; Y232-I269 VanDerWaalsContact CD1-O 3.31Å; Y232-I269 WeakPolarHBondContact CD1-O 3.27Å; Y232-I269 HydrophobicContact CD2-CB 4.48Å; Y232-I269 HydrophobicContact CE1-CB 3.59Å; Y232-I269 HydrophobicContact CE1-CG2 3.59Å; Y232-I269 HydrophobicContact CE2-CB 3.99Å; Y232-I269 HydrophobicContact CE2-CG1 4.23Å; Y232-I269 PolarHBondContact N-O 2.8Å; Y232-I269 PolarHBondContact O-N 3.29Å; Y232-I269 WeakPolarHBondContact OH-CG2 3.02Å; Y232-V271 HydrophobicContact CD1-CG2 4.07Å; Y232-S273 PolarHBondContact OH-O 2.83Å; Y232-S273 VanDerWaalsContact OH-O 3.13Å; Y232-V304 PolarHBondContact OH-O 3.37Å; Y232-A306 HydrophobicContact CD2-CB 3.86Å; Y232-A306 HydrophobicContact CE2-CB 3.98Å; Y232-A306 HydrophobicContact CG-CB 4.2Å; Y232-F307 VanDerWaalsContact CB-CE2 3.5Å; Y232-F307 HydrophobicContact CD1-CD2 4.49Å; Y232-F307 HydrophobicContact CG-CD2 4.09Å; Y232-F307 HydrophobicContact CG-CE2 4.26Å
233T96.4Very high84.7Confident1 Ų147.9 Ų47.91%0.00628%0.282CS..EExtended strand (participates in β ladder)trans-132.5148.1-175.256.30000110.3F213 N214 M216 D235 M265 F267 R268F213-T233 CarbonylContact C-O 3.09Å; F213-T233 WeakPolarHBondContact CA-O 3.25Å; N214-T233 PolarHBondContact N-O 2.88Å; N214-T233 PolarHBondContact O-N 2.9Å; N214-T233 PolarHBondContact O-OG1 2.97Å; M216-T233 HydrophobicContact SD-CG2 4.33Å; T233-D235 WeakPolarHBondContact CB-OD1 3.36Å; T233-D235 PolarHBondContact OG1-OD1 2.9Å; T233-D235 PolarHBondContact OG1-OD2 2.9Å; T233-M265 HydrophobicContact CG2-CG 4.18Å; T233-M265 HydrophobicContact CG2-SD 3.59Å; T233-M265 VanDerWaalsContact CG2-SD 3.59Å; T233-F267 WeakPolarHBondContact CA-O 3.13Å; T233-R268 HydrophobicContact CG2-CB 3.85Å
234L96.8Very high86.1Confident0 Ų040.3 Ų40.30%024%0.242CC..EExtended strand (participates in β ladder)trans-92.1102.9165.7173.557.7000108L211 F213 I237 M265 V266 F267L211-L234 HydrophobicContact CB-CD1 4.21Å; F213-L234 HydrophobicContact CD1-CB 4.08Å; F213-L234 HydrophobicContact CD1-CD1 4.31Å; F213-L234 HydrophobicContact CD2-CD1 4.4Å; F213-L234 HydrophobicContact CE1-CB 3.9Å; F213-L234 HydrophobicContact CE1-CD1 4.01Å; F213-L234 HydrophobicContact CE1-CD2 4.49Å; F213-L234 HydrophobicContact CE1-CG 4.35Å; F213-L234 HydrophobicContact CE2-CD1 4.07Å; F213-L234 HydrophobicContact CG-CD1 4.5Å; F213-L234 HydrophobicContact CZ-CD1 3.86Å; F213-L234 HydrophobicContact CZ-CD2 4.48Å; L234-I237 HydrophobicContact CD1-CG1 4.17Å; L234-I237 HydrophobicContact CD2-CD1 4.01Å; L234-I237 HydrophobicContact CD2-CG1 4.39Å; L234-I237 HydrophobicContact CG-CD1 4.41Å; L234-I237 HydrophobicContact CG-CG1 4.33Å; L234-M265 WeakPolarHBondContact O-CA 3.44Å; L234-V266 HydrophobicContact CB-CB 4.2Å; L234-V266 HydrophobicContact CB-CG2 4.44Å; L234-V266 HydrophobicContact CD2-CB 4.05Å; L234-V266 HydrophobicContact CD2-CG1 4.43Å; L234-V266 HydrophobicContact CD2-CG2 3.94Å; L234-V266 HydrophobicContact CG-CB 4.17Å; L234-V266 HydrophobicContact CG-CG2 3.93Å; L234-V266 PolarHBondContact O-N 2.94Å; L234-F267 HydrophobicContact CB-CD1 4.39Å; L234-F267 HydrophobicContact CB-CD2 4.42Å; L234-F267 HydrophobicContact CB-CE1 3.83Å; L234-F267 HydrophobicContact CB-CE2 3.86Å; L234-F267 HydrophobicContact CB-CZ 3.53Å; L234-F267 HydrophobicContact CD2-CE1 3.61Å; L234-F267 HydrophobicContact CD2-CZ 3.85Å; L234-F267 HydrophobicContact CG-CE1 4.38Å; L234-F267 HydrophobicContact CG-CZ 4.34Å; L234-F267 PolarHBondContact N-O 3.24Å
235D93.2Very high87.5Confident38 Ų3842.5 Ų42.520%0.20325%0.247CC..EExtended strand (participates in β ladder)trans-101.5-34.3-167.4-75.6-7.2000113.6L212 N214 T233 N263L212-D235 PolarHBondContact O-N 2.89Å; N214-D235 WeakPolarHBondContact CB-OD2 3.39Å; N214-D235 PolarHBondContact ND2-OD2 2.96Å; T233-D235 WeakPolarHBondContact CB-OD1 3.36Å; T233-D235 PolarHBondContact OG1-OD1 2.9Å; T233-D235 PolarHBondContact OG1-OD2 2.9Å; D235-N263 CarbonylContact O-C 3.5Å; D235-N263 VanDerWaalsContact O-CA 3.23Å; D235-N263 WeakPolarHBondContact O-CA 3.15Å
236S95.7Very high88.9Confident19 Ų1943.5 Ų43.513%0.13324%0.238CC..EExtended strand (participates in β ladder)trans-135.1135.1-178.2-1680000112L212 S262 N263L212-S236 PolarHBondContact N-O 2.87Å; L212-S236 PolarHBondContact O-N 2.93Å; S236-S262 VanDerWaalsContact CA-O 3.3Å; S236-S262 WeakPolarHBondContact CA-O 3.28Å; S236-N263 PolarHBondContact OG-OD1 2.94Å
237I97.5Very high90.2Very high1 Ų140.4 Ų40.41%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-126.6124173-58.1-178.4000106.8L209 V210 L211 L234 S261 S262 V266 I283 L285 L297L209-I237 HydrophobicContact CD1-CG2 4.01Å; V210-I237 WeakPolarHBondContact O-CA 3.26Å; L211-I237 HydrophobicContact CD2-CB 4.31Å; L211-I237 HydrophobicContact CD2-CD1 4.24Å; L211-I237 HydrophobicContact CD2-CG1 3.85Å; L211-I237 HydrophobicContact CD2-CG2 3.89Å; L234-I237 HydrophobicContact CD1-CG1 4.17Å; L234-I237 HydrophobicContact CD2-CD1 4.01Å; L234-I237 HydrophobicContact CD2-CG1 4.39Å; L234-I237 HydrophobicContact CG-CD1 4.41Å; L234-I237 HydrophobicContact CG-CG1 4.33Å; I237-S261 CarbonylContact O-C 3.59Å; I237-S261 WeakPolarHBondContact O-CA 3.06Å; I237-S261 WeakPolarHBondContact O-CB 3.35Å; I237-S262 PolarHBondContact N-O 2.78Å; I237-S262 PolarHBondContact O-N 2.8Å; I237-V266 HydrophobicContact CD1-CG2 4.05Å; I237-I283 HydrophobicContact CD1-CD1 3.63Å; I237-I283 HydrophobicContact CD1-CG2 4.34Å; I237-L285 HydrophobicContact CB-CD2 3.9Å; I237-L285 HydrophobicContact CG2-CD1 4.11Å; I237-L285 HydrophobicContact CG2-CD2 3.76Å; I237-L297 HydrophobicContact CD1-CD2 3.76Å; I237-L297 HydrophobicContact CG2-CD2 3.83Å
238T97.1Very high91.6Very high38 Ų3832.5 Ų32.523%0.23318%0.176CC..EExtended strand (participates in β ladder)trans-127.4129.3177.3-60.60000109.9L209 V210 V260 S261L209-T238 CarbonylContact C-O 3.51Å; L209-T238 WeakPolarHBondContact CA-O 3.3Å; V210-T238 PolarHBondContact N-O 3.13Å; V210-T238 PolarHBondContact O-N 3.34Å; T238-V260 WeakPolarHBondContact CA-O 3.12Å; T238-S261 WeakPolarHBondContact OG1-CB 2.88Å
239L96.9Very high92.7Very high0 Ų031.5 Ų31.50%017%0.171CC..EExtended strand (participates in β ladder)trans-115.1123.9171.2175.373.5000109F155 F196 T208 Y241 V260 L285 C295F155-L239 HydrophobicContact CD1-CD2 3.73Å; F155-L239 HydrophobicContact CE1-CB 4.5Å; F155-L239 HydrophobicContact CE1-CD1 4.03Å; F155-L239 HydrophobicContact CE1-CD2 3.9Å; F155-L239 HydrophobicContact CE1-CG 4.36Å; F155-L239 HydrophobicContact CG-CD2 4.36Å; F155-L239 HydrophobicContact CZ-CD1 4.08Å; F196-L239 HydrophobicContact CE1-CD1 4.3Å; F196-L239 HydrophobicContact CZ-CD1 3.89Å; T208-L239 WeakPolarHBondContact O-CA 3.5Å; L239-Y241 HydrophobicContact CD2-CD1 3.94Å; L239-Y241 HydrophobicContact CG-CD1 4.04Å; L239-V260 HydrophobicContact CB-CG2 3.79Å; L239-V260 HydrophobicContact CD2-CG2 4.17Å; L239-V260 HydrophobicContact CG-CG2 4.35Å; L239-V260 PolarHBondContact N-O 2.98Å; L239-V260 PolarHBondContact O-N 2.98Å; L239-L285 HydrophobicContact CB-CD1 3.97Å; L239-C295 HydrophobicContact CD2-CB 4.47Å
240T95.6Very high93.1Very high35 Ų3533.1 Ų33.122%0.21518%0.176CC..EExtended strand (participates in β ladder)trans-108.2119.4170.3-63.30000108.6W207 T208 Y257 V258 N259W207-T240 WeakPolarHBondContact CA-O 3.35Å; T208-T240 PolarHBondContact N-O 3.27Å; T208-T240 PolarHBondContact O-N 2.02Å; T240-Y257 HydrophobicContact CG2-CD1 3.91Å; T240-V258 WeakPolarHBondContact CA-O 3.27Å; T240-N259 VanDerWaalsContact CB-OD1 3.31Å; T240-N259 WeakPolarHBondContact CB-OD1 3.48Å; T240-N259 WeakPolarHBondContact CG2-OD1 3.46Å; T240-N259 PolarHBondContact OG1-OD1 2.82Å
241Y93.7Very high93.1Very high0 Ų032.5 Ų32.50%017%0.171CC..EExtended strand (participates in β ladder)trans-134.9153.6-17965-84.4000111.4V157 L239 M243 F248 Y257 V258 V260 N293V157-Y241 HydrophobicContact CG1-CE1 4.43Å; V157-Y241 HydrophobicContact CG1-CE2 3.63Å; V157-Y241 WeakPolarHBondContact CG1-OH 3.48Å; V157-Y241 HydrophobicContact CG2-CE1 4.35Å; V157-Y241 HydrophobicContact CG2-CE2 4.39Å; L239-Y241 HydrophobicContact CD2-CD1 3.94Å; L239-Y241 HydrophobicContact CG-CD1 4.04Å; Y241-M243 HydrophobicContact CD2-SD 4.3Å; Y241-M243 HydrophobicContact CE2-CE 4.47Å; Y241-M243 HydrophobicContact CE2-CG 4.36Å; Y241-M243 HydrophobicContact CE2-SD 3.58Å; Y241-M243 VanDerWaalsContact CE2-SD 3.58Å; Y241-F248 HydrophobicContact CD2-CE2 4.15Å; Y241-F248 HydrophobicContact CD2-CZ 4.02Å; Y241-F248 HydrophobicContact CE2-CE2 4.42Å; Y241-F248 HydrophobicContact CE2-CZ 4.11Å; Y241-Y257 WeakPolarHBondContact O-CA 3.44Å; Y241-V258 HydrophobicContact CE1-CB 3.98Å; Y241-V258 HydrophobicContact CE1-CG1 3.98Å; Y241-V258 HydrophobicContact CE2-CB 4.06Å; Y241-V258 HydrophobicContact CE2-CG2 4.49Å; Y241-V258 PolarHBondContact N-O 2.84Å; Y241-V258 PolarHBondContact O-N 3.36Å; Y241-V258 WeakPolarHBondContact OH-CG1 3.46Å; Y241-V260 HydrophobicContact CD1-CG2 4.48Å; Y241-V260 HydrophobicContact CE1-CG1 3.95Å; Y241-V260 HydrophobicContact CE1-CG2 3.98Å; Y241-N293 WeakPolarHBondContact OH-CB 3.25Å; Y241-N293 PolarHBondContact OH-ND2 2.9Å
242Y92.6Very high92.9Very high38 Ų3834.1 Ų34.115%0.14918%0.18CC..EExtended strand (participates in β ladder)trans-94.9130.4178.9-172.5-105.7000111.1H205 D244 G255 Y257H205-Y242 HydrophobicContact CB-CD1 3.81Å; H205-Y242 HydrophobicContact CB-CE1 4.49Å; H205-Y242 HydrophobicContact CB-CG 3.93Å; H205-Y242 AromaticContact CD2-CD1 3.44Å; H205-Y242 VanDerWaalsContact CD2-CD1 3.44Å; H205-Y242 WeakPolarHBondContact CD2-CD1 3.44Å; H205-Y242 AromaticContact CD2-CE1 3.26Å; H205-Y242 WeakPolarHBondContact CD2-CE1 3.2Å; H205-Y242 AromaticContact CD2-CZ 3.91Å; H205-Y242 AromaticContact CE1-CE1 3.92Å; H205-Y242 AromaticContact CE1-CZ 3.76Å; H205-Y242 AromaticContact CG-CD1 3.51Å; H205-Y242 AromaticContact CG-CE1 3.72Å; H205-Y242 AromaticContact CG-CG 3.85Å; H205-Y242 AromaticContact NE2-CE1 3.4Å; H205-Y242 WeakPolarHBondContact NE2-CE1 3.33Å; H205-Y242 AromaticContact NE2-CZ 3.6Å; Y242-D244 HydrophobicContact CD1-CB 4.06Å; Y242-D244 HydrophobicContact CE1-CB 4.48Å; Y242-D244 PolarHBondContact O-N 2.7Å; Y242-G255 VanDerWaalsContact CE2-C 3.43Å; Y242-G255 VanDerWaalsContact CE2-O 3.25Å; Y242-G255 WeakPolarHBondContact CE2-O 3.28Å; Y242-G255 WeakPolarHBondContact OH-CA 3.37Å; Y242-G255 PolarHBondContact OH-O 3.13Å; Y242-Y257 HydrophobicContact CD2-CD1 4.21Å; Y242-Y257 AromaticContact CD2-CD2 3.82Å; Y242-Y257 HydrophobicContact CD2-CD2 3.82Å; Y242-Y257 HydrophobicContact CD2-CE1 4.11Å; Y242-Y257 AromaticContact CD2-CE2 3.7Å; Y242-Y257 HydrophobicContact CD2-CE2 3.7Å; Y242-Y257 HydrophobicContact CD2-CG 4.08Å; Y242-Y257 AromaticContact CD2-CZ 3.86Å; Y242-Y257 HydrophobicContact CE2-CD2 4.36Å; Y242-Y257 HydrophobicContact CE2-CE2 4.22Å; Y242-Y257 HydrophobicContact CG-CE1 4.41Å
243M90.8Very high92.5Very high0 Ų035.7 Ų35.70%019%0.19CC..  trans-76.267.2177-70.5-67-123.200111.8Y241 K245 F248 S251 T253 G255 Q256 V258 N293Y241-M243 HydrophobicContact CD2-SD 4.3Å; Y241-M243 HydrophobicContact CE2-CE 4.47Å; Y241-M243 HydrophobicContact CE2-CG 4.36Å; Y241-M243 HydrophobicContact CE2-SD 3.58Å; Y241-M243 VanDerWaalsContact CE2-SD 3.58Å; M243-K245 PolarHBondContact O-N 3.27Å; M243-F248 HydrophobicContact SD-CB 4.34Å; M243-F248 HydrophobicContact SD-CD1 4.32Å; M243-F248 HydrophobicContact SD-CD2 3.77Å; M243-F248 HydrophobicContact SD-CE2 4.08Å; M243-F248 HydrophobicContact SD-CG 3.88Å; M243-F248 HydrophobicContact SD-CZ 4.48Å; M243-S251 WeakPolarHBondContact CE-OG 3.49Å; M243-T253 VanDerWaalsContact CB-O 3.27Å; M243-T253 WeakPolarHBondContact CB-O 3.49Å; M243-G255 PolarHBondContact O-N 3.27Å; M243-Q256 WeakPolarHBondContact CB-O 3.31Å; M243-Q256 PolarHBondContact N-O 3.41Å; M243-V258 HydrophobicContact CE-CG2 4.3Å; M243-V258 HydrophobicContact CG-CG2 3.53Å; M243-V258 HydrophobicContact SD-CG2 4.35Å; M243-N293 WeakPolarHBondContact CE-ND2 3.43Å
244D89Confident92.2Very high23 Ų2338 Ų3812%0.12320%0.204CC..  trans-64.1130176.8-170.2-72.5000111.1R201 Y242 N246 L247 F248R201-D244 IonicContact CZ-OD1 3.56Å; R201-D244 IonicContact NE-OD1 3.62Å; R201-D244 IonicContact NE-OD2 3.88Å; R201-D244 IonicContact NH1-OD1 3.78Å; R201-D244 IonicContact NH2-OD1 3.99Å; Y242-D244 HydrophobicContact CD1-CB 4.06Å; Y242-D244 HydrophobicContact CE1-CB 4.48Å; Y242-D244 PolarHBondContact O-N 2.7Å; D244-N246 PolarHBondContact O-N 3.35Å; D244-N246 VanDerWaalsContact O-N 3.12Å; D244-N246 WeakPolarHBondContact OD1-CA 3.25Å; D244-N246 WeakPolarHBondContact OD1-CB 3.48Å; D244-N246 PolarHBondContact OD1-N 3.23Å; D244-N246 PolarHBondContact OD1-ND2 2.71Å; D244-L247 HydrophobicContact CB-CB 4.41Å; D244-L247 HydrophobicContact CB-CD1 4.31Å; D244-L247 HydrophobicContact CB-CG 4.31Å; D244-L247 PolarHBondContact O-N 2.93Å; D244-L247 VanDerWaalsContact O-N 3.07Å; D244-F248 PolarHBondContact O-N 2.04Å
245K89.3Confident91.8Very high146 Ų14639.5 Ų39.564%0.63522%0.22SC*.THydrogen-bonded Turntrans-57.8-28.3-178.1-71.1-179.2-179.6178.10113.5M243 P249 P254M243-K245 PolarHBondContact O-N 3.27Å; K245-P249 WeakPolarHBondContact O-CA 3.41Å; K245-P254 HydrophobicContact CG-CB 3.79Å
246N88.7Confident91.7Very high119 Ų11942.5 Ų42.564%0.63623%0.233SC*.THydrogen-bonded Turntrans-84.7-25.3-178.9-53.1-63.2000112.4R201 D244R201-N246 PolarHBondContact NH1-ND2 2.88Å; R201-N246 VanDerWaalsContact NH2-C 3.26Å; R201-N246 PolarHBondContact NH2-O 2.94Å; D244-N246 PolarHBondContact O-N 3.35Å; D244-N246 VanDerWaalsContact O-N 3.12Å; D244-N246 WeakPolarHBondContact OD1-CA 3.25Å; D244-N246 WeakPolarHBondContact OD1-CB 3.48Å; D244-N246 PolarHBondContact OD1-N 3.23Å; D244-N246 PolarHBondContact OD1-ND2 2.71Å
247L89.1Confident91.5Very high12 Ų1246.9 Ų46.96%0.06325%0.248CC..THydrogen-bonded Turntrans-86.5-35.9173.2-65.2175.5000111.6Y169 P198 R201 W207 D244 P249Y169-L247 HydrophobicContact CE1-CD2 3.95Å; Y169-L247 HydrophobicContact CE2-CD2 4.24Å; Y169-L247 WeakPolarHBondContact OH-CD2 3.32Å; P198-L247 HydrophobicContact CB-CD1 4.09Å; P198-L247 HydrophobicContact CG-CD1 3.8Å; R201-L247 HydrophobicContact CG-CD1 4.27Å; R201-L247 VanDerWaalsContact NE-CG 3.34Å; R201-L247 VanDerWaalsContact NH2-CG 3.26Å; W207-L247 HydrophobicContact CH2-CD1 3.71Å; W207-L247 HydrophobicContact CZ2-CD1 3.57Å; D244-L247 HydrophobicContact CB-CB 4.41Å; D244-L247 HydrophobicContact CB-CD1 4.31Å; D244-L247 HydrophobicContact CB-CG 4.31Å; D244-L247 PolarHBondContact O-N 2.93Å; D244-L247 VanDerWaalsContact O-N 3.07Å; L247-P249 VanDerWaalsContact O-CD 3.24Å; L247-P249 WeakPolarHBondContact O-CD 3.14Å
248F91Very high91.3Very high1 Ų147 Ų470%0.00425%0.248CC..SBendtrans-120.765.9-176.1-52.2-75.8000109.9V157 Y159 Y169 W207 Y241 M243 D244 D250 S251V157-F248 HydrophobicContact CB-CE1 3.98Å; V157-F248 HydrophobicContact CB-CZ 4.34Å; V157-F248 HydrophobicContact CG1-CE1 3.6Å; V157-F248 HydrophobicContact CG1-CZ 4.02Å; Y159-F248 AromaticContact CD1-CD1 3.54Å; Y159-F248 HydrophobicContact CD1-CD1 3.54Å; Y159-F248 HydrophobicContact CD1-CE1 4.26Å; Y159-F248 HydrophobicContact CD1-CG 4.47Å; Y159-F248 HydrophobicContact CD2-CB 4.27Å; Y159-F248 HydrophobicContact CE1-CB 4.33Å; Y159-F248 AromaticContact CE1-CD1 3.68Å; Y159-F248 HydrophobicContact CE1-CD1 3.68Å; Y159-F248 HydrophobicContact CE2-CB 4.06Å; Y159-F248 HydrophobicContact CG-CB 4.47Å; Y159-F248 HydrophobicContact CG-CD1 4.05Å; Y169-F248 HydrophobicContact CD1-CE1 4.31Å; Y169-F248 HydrophobicContact CD1-CZ 4.4Å; Y169-F248 HydrophobicContact CG-CE1 4.4Å; W207-F248 HydrophobicContact CH2-CE2 4.1Å; W207-F248 AromaticContact CH2-CZ 3.97Å; W207-F248 HydrophobicContact CH2-CZ 3.97Å; W207-F248 AromaticContact CZ2-CE2 3.95Å; W207-F248 HydrophobicContact CZ2-CE2 3.95Å; W207-F248 HydrophobicContact CZ2-CZ 4.27Å; Y241-F248 HydrophobicContact CD2-CE2 4.15Å; Y241-F248 HydrophobicContact CD2-CZ 4.02Å; Y241-F248 HydrophobicContact CE2-CE2 4.42Å; Y241-F248 HydrophobicContact CE2-CZ 4.11Å; M243-F248 HydrophobicContact SD-CB 4.34Å; M243-F248 HydrophobicContact SD-CD1 4.32Å; M243-F248 HydrophobicContact SD-CD2 3.77Å; M243-F248 HydrophobicContact SD-CE2 4.08Å; M243-F248 HydrophobicContact SD-CG 3.88Å; M243-F248 HydrophobicContact SD-CZ 4.48Å; D244-F248 PolarHBondContact O-N 2.04Å; F248-D250 PolarHBondContact O-N 3.35Å; F248-S251 WeakPolarHBondContact O-CB 3.44Å; F248-S251 PolarHBondContact O-N 3.39Å; F248-S251 VanDerWaalsContact O-N 3.14Å
249P90.1Very high91.2Very high60 Ų6049.4 Ų49.439%0.3926%0.259SS..THydrogen-bonded Turntrans-61139.1178.727.1-35000109.7Y159 K245 L247 S251Y159-P249 WeakPolarHBondContact CE2-O 3.4Å; Y159-P249 WeakPolarHBondContact OH-CD 3.45Å; Y159-P249 PolarHBondContact OH-O 2.83Å; Y159-P249 VanDerWaalsContact OH-O 3.05Å; K245-P249 WeakPolarHBondContact O-CA 3.41Å; L247-P249 VanDerWaalsContact O-CD 3.24Å; L247-P249 WeakPolarHBondContact O-CD 3.14Å; P249-S251 PolarHBondContact O-N 3Å
250D90.6Very high91.2Very high93 Ų9349.4 Ų49.450%0.49726%0.259SS..THydrogen-bonded Turntrans61.320.3-176.4-39.4-50.7000114.6S161 H162 K167 F248S161-D250 CarbonylContact C-O 3.36Å; S161-D250 WeakPolarHBondContact CA-O 3.39Å; S161-D250 WeakPolarHBondContact CB-O 3.4Å; H162-D250 PolarHBondContact CD2-O 2.95Å; H162-D250 VanDerWaalsContact CD2-O 3.3Å; H162-D250 PolarHBondContact N-O 2.87Å; K167-D250 IonicContact NZ-OD2 2.74Å; K167-D250 PolarHBondContact NZ-OD2 2.81Å; F248-D250 PolarHBondContact O-N 3.35Å
251S91.2Very high91.2Very high3 Ų349.9 Ų49.92%0.02127%0.265CS..BIsolated β-bridgetrans-57.1139171.8175.10000111H162 M243 F248 P249 T253 P254H162-S251 PolarHBondContact CD2-O 3.26Å; H162-S251 VanDerWaalsContact CD2-O 3.26Å; H162-S251 PolarHBondContact NE2-O 2.89Å; M243-S251 WeakPolarHBondContact CE-OG 3.49Å; F248-S251 WeakPolarHBondContact O-CB 3.44Å; F248-S251 PolarHBondContact O-N 3.39Å; F248-S251 VanDerWaalsContact O-N 3.14Å; P249-S251 PolarHBondContact O-N 3Å; S251-T253 PolarHBondContact O-N 3.49Å; S251-T253 PolarHBondContact OG-N 3.34Å; S251-P254 WeakPolarHBondContact O-CD 3.29Å
252L89.2Confident91.3Very high90 Ų9050.4 Ų50.447%0.47127%0.268SS..SBendtrans-64.6-21.1173-71.7177.6000113.4N160 H162 P254N160-L252 HydrophobicContact CB-CD1 3.63Å; N160-L252 HydrophobicContact CB-CG 4.27Å; N160-L252 PolarHBondContact O-N 3.02Å; H162-L252 HydrophobicContact CB-CD2 4.43Å; L252-P254 VanDerWaalsContact C-CD 3.49Å
253T88Confident91.3Very high32 Ų3254.3 Ų54.320%0.19629%0.291CS..SBendtrans-13059-176.753.30000111.6M243 S251M243-T253 VanDerWaalsContact CB-O 3.27Å; M243-T253 WeakPolarHBondContact CB-O 3.49Å; S251-T253 PolarHBondContact O-N 3.49Å; S251-T253 PolarHBondContact OG-N 3.34Å
254P89.8Confident91.3Very high49 Ų4960 Ų6032%0.31832%0.322SS..THydrogen-bonded Turntrans-71147-178.332.1-31.1000110.5K245 S251 L252K245-P254 HydrophobicContact CG-CB 3.79Å; S251-P254 WeakPolarHBondContact O-CD 3.29Å; L252-P254 VanDerWaalsContact C-CD 3.49Å
255G89.2Confident91.4Very high32 Ų3263 Ų6333%0.3334%0.336SS..THydrogen-bonded Turntrans78.416.1173.500000115.6Y242 M243Y242-G255 VanDerWaalsContact CE2-C 3.43Å; Y242-G255 VanDerWaalsContact CE2-O 3.25Å; Y242-G255 WeakPolarHBondContact CE2-O 3.28Å; Y242-G255 WeakPolarHBondContact OH-CA 3.37Å; Y242-G255 PolarHBondContact OH-O 3.13Å; M243-G255 PolarHBondContact O-N 3.27Å
256Q90.6Very high91.5Very high102 Ų10258.1 Ų58.148%0.47732%0.318SS..  trans-116.4151.9177.8-61.8-176.822.900111.3M243M243-Q256 WeakPolarHBondContact CB-O 3.31Å; M243-Q256 PolarHBondContact N-O 3.41Å
257Y92Very high91.8Very high111 Ų11153.1 Ų53.144%0.43529%0.291SS..EExtended strand (participates in β ladder)trans-78.1136.5166.5-78-82.2000110.5T240 Y241 Y242T240-Y257 HydrophobicContact CG2-CD1 3.91Å; Y241-Y257 WeakPolarHBondContact O-CA 3.44Å; Y242-Y257 HydrophobicContact CD2-CD1 4.21Å; Y242-Y257 AromaticContact CD2-CD2 3.82Å; Y242-Y257 HydrophobicContact CD2-CD2 3.82Å; Y242-Y257 HydrophobicContact CD2-CE1 4.11Å; Y242-Y257 AromaticContact CD2-CE2 3.7Å; Y242-Y257 HydrophobicContact CD2-CE2 3.7Å; Y242-Y257 HydrophobicContact CD2-CG 4.08Å; Y242-Y257 AromaticContact CD2-CZ 3.86Å; Y242-Y257 HydrophobicContact CE2-CD2 4.36Å; Y242-Y257 HydrophobicContact CE2-CE2 4.22Å; Y242-Y257 HydrophobicContact CG-CE1 4.41Å
258V93.8Very high92Very high2 Ų260.5 Ų60.51%0.01232%0.318CS..EExtended strand (participates in β ladder)trans-120.9132.1177.2-1780000108.6T240 Y241 M243 V260 I291 N293T240-V258 WeakPolarHBondContact CA-O 3.27Å; Y241-V258 HydrophobicContact CE1-CB 3.98Å; Y241-V258 HydrophobicContact CE1-CG1 3.98Å; Y241-V258 HydrophobicContact CE2-CB 4.06Å; Y241-V258 HydrophobicContact CE2-CG2 4.49Å; Y241-V258 PolarHBondContact N-O 2.84Å; Y241-V258 PolarHBondContact O-N 3.36Å; Y241-V258 WeakPolarHBondContact OH-CG1 3.46Å; M243-V258 HydrophobicContact CE-CG2 4.3Å; M243-V258 HydrophobicContact CG-CG2 3.53Å; M243-V258 HydrophobicContact SD-CG2 4.35Å; V258-V260 HydrophobicContact CG1-CG1 4.24Å; V258-I291 HydrophobicContact CG1-CG2 3.95Å; V258-I291 HydrophobicContact CG2-CD1 4.14Å; V258-I291 HydrophobicContact CG2-CG2 4.05Å; V258-N293 HydrophobicContact CG1-CB 4.36Å
259N94.9Very high92.2Very high89 Ų8960.5 Ų60.548%0.47632%0.318SS..EExtended strand (participates in β ladder)trans-105.8124.5174.3-66.5-15.2000108.5T240T240-N259 VanDerWaalsContact CB-OD1 3.31Å; T240-N259 WeakPolarHBondContact CB-OD1 3.48Å; T240-N259 WeakPolarHBondContact CG2-OD1 3.46Å; T240-N259 PolarHBondContact OG1-OD1 2.82Å
260V96.1Very high92.4Very high0 Ų060 Ų600%032%0.315CS..EExtended strand (participates in β ladder)trans-121.1136.6170.7-63.50000108.5T238 L239 Y241 V258 L285 K286 C295T238-V260 WeakPolarHBondContact CA-O 3.12Å; L239-V260 HydrophobicContact CB-CG2 3.79Å; L239-V260 HydrophobicContact CD2-CG2 4.17Å; L239-V260 HydrophobicContact CG-CG2 4.35Å; L239-V260 PolarHBondContact N-O 2.98Å; L239-V260 PolarHBondContact O-N 2.98Å; Y241-V260 HydrophobicContact CD1-CG2 4.48Å; Y241-V260 HydrophobicContact CE1-CG1 3.95Å; Y241-V260 HydrophobicContact CE1-CG2 3.98Å; V258-V260 HydrophobicContact CG1-CG1 4.24Å; V260-L285 HydrophobicContact CB-CB 3.92Å; V260-L285 HydrophobicContact CG2-CB 3.83Å; V260-L285 HydrophobicContact CG2-CD1 4.07Å; V260-K286 CarbonylContact C-O 3.53Å; V260-K286 VanDerWaalsContact CA-O 3.31Å; V260-K286 WeakPolarHBondContact CA-O 3.3Å; V260-C295 HydrophobicContact CB-CB 4.5Å; V260-C295 HydrophobicContact CG2-CB 3.72Å
261S96.3Very high92.6Very high46 Ų4657.1 Ų57.132%0.32230%0.301SS..EExtended strand (participates in β ladder)trans-142.7161.8-178.762.60000113.5I237 T238 K286I237-S261 CarbonylContact O-C 3.59Å; I237-S261 WeakPolarHBondContact O-CA 3.06Å; I237-S261 WeakPolarHBondContact O-CB 3.35Å; T238-S261 WeakPolarHBondContact OG1-CB 2.88Å; S261-K286 PolarHBondContact N-O 3.03Å; S261-K286 PolarHBondContact O-N 2.91Å
262S95.2Very high92.7Very high10 Ų1059.2 Ų59.27%0.0732%0.322CS..EExtended strand (participates in β ladder)trans-132.7131.6167.8173.30000107.8S236 I237 N264S236-S262 VanDerWaalsContact CA-O 3.3Å; S236-S262 WeakPolarHBondContact CA-O 3.28Å; I237-S262 PolarHBondContact N-O 2.78Å; I237-S262 PolarHBondContact O-N 2.8Å; S262-N264 PolarHBondContact OG-N 3.44Å
263N93Very high93Very high120 Ų12055.5 Ų55.564%0.64230%0.304SS*.  trans-108.822.3174.4-62-32.4000111.4D235 S236D235-N263 CarbonylContact O-C 3.5Å; D235-N263 VanDerWaalsContact O-CA 3.23Å; D235-N263 WeakPolarHBondContact O-CA 3.15Å; S236-N263 PolarHBondContact OG-OD1 2.94Å
264N90.3Very high93.5Very high119 Ų11955.4 Ų55.464%0.63630%0.3SS*.SBendtrans-89.3130.2176.7-63.8-22.6000108.8S262 V266S262-N264 PolarHBondContact OG-N 3.44Å; N264-V266 PolarHBondContact O-N 3.03Å
265M91.6Very high93.8Very high87 Ų8754.1 Ų54.143%0.42929%0.289SS..  trans-57.4122.9171.4178-179.65800110.2T233 L234 R268T233-M265 HydrophobicContact CG2-CG 4.18Å; T233-M265 HydrophobicContact CG2-SD 3.59Å; T233-M265 VanDerWaalsContact CG2-SD 3.59Å; L234-M265 WeakPolarHBondContact O-CA 3.44Å; M265-R268 VanDerWaalsContact CE-NH2 3.32Å; M265-R268 HydrophobicContact SD-CB 4.23Å
266V92Very high94.1Very high43 Ų4353.2 Ų53.226%0.26128%0.278SS..  trans-87-45.4-177.8-1750000111.4L234 I237 N264 V280 I283L234-V266 HydrophobicContact CB-CB 4.2Å; L234-V266 HydrophobicContact CB-CG2 4.44Å; L234-V266 HydrophobicContact CD2-CB 4.05Å; L234-V266 HydrophobicContact CD2-CG1 4.43Å; L234-V266 HydrophobicContact CD2-CG2 3.94Å; L234-V266 HydrophobicContact CG-CB 4.17Å; L234-V266 HydrophobicContact CG-CG2 3.93Å; L234-V266 PolarHBondContact O-N 2.94Å; I237-V266 HydrophobicContact CD1-CG2 4.05Å; N264-V266 PolarHBondContact O-N 3.03Å; V266-V280 HydrophobicContact CG1-CG1 4.34Å; V266-I283 HydrophobicContact CB-CD1 4.44Å; V266-I283 HydrophobicContact CG1-CD1 3.7Å; V266-I283 HydrophobicContact CG1-CG1 4.48Å; V266-I283 HydrophobicContact CG2-CD1 3.78Å
267F93.8Very high94.3Very high15 Ų1548.4 Ų48.47%0.06626%0.256CS..  trans-153.7166.2177.653.1-104.1000110.2F213 Y232 T233 L234 I269 Y275 L302 V304F213-F267 HydrophobicContact CE1-CE2 4.17Å; F213-F267 AromaticContact CE1-CZ 3.83Å; F213-F267 HydrophobicContact CE1-CZ 3.83Å; Y232-F267 HydrophobicContact CE2-CE2 4.26Å; T233-F267 WeakPolarHBondContact CA-O 3.13Å; L234-F267 HydrophobicContact CB-CD1 4.39Å; L234-F267 HydrophobicContact CB-CD2 4.42Å; L234-F267 HydrophobicContact CB-CE1 3.83Å; L234-F267 HydrophobicContact CB-CE2 3.86Å; L234-F267 HydrophobicContact CB-CZ 3.53Å; L234-F267 HydrophobicContact CD2-CE1 3.61Å; L234-F267 HydrophobicContact CD2-CZ 3.85Å; L234-F267 HydrophobicContact CG-CE1 4.38Å; L234-F267 HydrophobicContact CG-CZ 4.34Å; L234-F267 PolarHBondContact N-O 3.24Å; F267-I269 HydrophobicContact CD2-CG1 3.82Å; F267-I269 HydrophobicContact CE2-CG1 4.38Å; F267-Y275 HydrophobicContact CB-CE1 4.16Å; F267-Y275 HydrophobicContact CB-CE2 4.32Å; F267-Y275 AromaticContact CD1-CD1 3.7Å; F267-Y275 HydrophobicContact CD1-CD1 3.7Å; F267-Y275 AromaticContact CD1-CE1 3.37Å; F267-Y275 HydrophobicContact CD1-CE1 3.37Å; F267-Y275 HydrophobicContact CD2-CD1 4.21Å; F267-Y275 HydrophobicContact CD2-CE1 4.5Å; F267-Y275 HydrophobicContact CD2-CG 4.41Å; F267-Y275 AromaticContact CE1-CD1 3.81Å; F267-Y275 HydrophobicContact CE1-CD1 3.81Å; F267-Y275 AromaticContact CE1-CE1 3.84Å; F267-Y275 HydrophobicContact CE1-CE1 3.84Å; F267-Y275 HydrophobicContact CE2-CD1 4.3Å; F267-Y275 AromaticContact CG-CD1 3.93Å; F267-Y275 HydrophobicContact CG-CD1 3.93Å; F267-Y275 AromaticContact CG-CE1 3.76Å; F267-Y275 HydrophobicContact CG-CE1 3.76Å; F267-Y275 HydrophobicContact CG-CG 4.39Å; F267-Y275 HydrophobicContact CZ-CD1 4.1Å; F267-L302 HydrophobicContact CE1-CD2 3.95Å; F267-V304 HydrophobicContact CE1-CG1 4.44Å; F267-V304 HydrophobicContact CE2-CG1 4.01Å; F267-V304 HydrophobicContact CZ-CG1 3.61Å
268R94.3Very high94.3Very high166 Ų16648 Ų4863%0.62626%0.261SS*.EExtended strand (participates in β ladder)trans-134.8134.6176.770.8-175.379.6170.97.6109.8Y232 T233 M265Y232-R268 CarbonylContact O-C 3.52Å; Y232-R268 WeakPolarHBondContact O-CA 3.4Å; T233-R268 HydrophobicContact CG2-CB 3.85Å; M265-R268 VanDerWaalsContact CE-NH2 3.32Å; M265-R268 HydrophobicContact SD-CB 4.23Å
269I94.9Very high94Very high2 Ų251.8 Ų51.81%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-142.8138.5-171.5-52.7-70.3000109.8I231 Y232 F267 Y275 T320I231-I269 CarbonylContact C-O 3.47Å; I231-I269 VanDerWaalsContact CA-O 3.28Å; I231-I269 WeakPolarHBondContact CA-O 3.35Å; Y232-I269 HydrophobicContact CD1-CB 4.14Å; Y232-I269 HydrophobicContact CD1-CG2 4.49Å; Y232-I269 VanDerWaalsContact CD1-O 3.31Å; Y232-I269 WeakPolarHBondContact CD1-O 3.27Å; Y232-I269 HydrophobicContact CD2-CB 4.48Å; Y232-I269 HydrophobicContact CE1-CB 3.59Å; Y232-I269 HydrophobicContact CE1-CG2 3.59Å; Y232-I269 HydrophobicContact CE2-CB 3.99Å; Y232-I269 HydrophobicContact CE2-CG1 4.23Å; Y232-I269 PolarHBondContact N-O 2.8Å; Y232-I269 PolarHBondContact O-N 3.29Å; Y232-I269 WeakPolarHBondContact OH-CG2 3.02Å; F267-I269 HydrophobicContact CD2-CG1 3.82Å; F267-I269 HydrophobicContact CE2-CG1 4.38Å; I269-Y275 HydrophobicContact CD1-CD2 3.31Å; I269-Y275 HydrophobicContact CD1-CE2 4.07Å; I269-Y275 HydrophobicContact CD1-CG 3.82Å; I269-Y275 HydrophobicContact CG1-CD2 4.21Å; I269-Y275 HydrophobicContact CG1-CG 4.25Å; I269-T320 HydrophobicContact CD1-CG2 3.72Å
270P94.6Very high93.7Very high48 Ų4847.8 Ų47.831%0.31226%0.262SS..EExtended strand (participates in β ladder)trans-59.5135.8170.8-23.835.4000112.1G272 S273P270-G272 PolarHBondContact O-N 3.44Å; P270-S273 WeakPolarHBondContact O-CB 3.39Å; P270-S273 PolarHBondContact O-N 2.7Å
271V94.3Very high93.3Very high34 Ų3451.5 Ų51.521%0.20629%0.286CS..THydrogen-bonded Turntrans-60.3134.6170.1173.80000108.9R215 S230 Y232 F307R215-V271 HydrophobicContact CG-CG2 4.17Å; S230-V271 WeakPolarHBondContact O-CB 3.44Å; S230-V271 WeakPolarHBondContact O-CG2 2.99Å; S230-V271 PolarHBondContact O-N 2.79Å; Y232-V271 HydrophobicContact CD1-CG2 4.07Å; V271-F307 HydrophobicContact CG1-CB 4.34Å
272G93.7Very high93.2Very high46 Ų4654 Ų5447%0.47429%0.293SS..THydrogen-bonded Turntrans88.95.1-170.400000114P270 G317 N318P270-G272 PolarHBondContact O-N 3.44Å; G272-G317 WeakPolarHBondContact O-CA 3.13Å; G272-N318 PolarHBondContact O-N 2.94Å
273S95.6Very high93.2Very high13 Ų1354.4 Ų54.49%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-117.9157.2168.1-57.70000109.8Y232 P270 N318Y232-S273 PolarHBondContact OH-O 2.83Å; Y232-S273 VanDerWaalsContact OH-O 3.13Å; P270-S273 WeakPolarHBondContact O-CB 3.39Å; P270-S273 PolarHBondContact O-N 2.7Å; S273-N318 CarbonylContact C-O 3.6Å; S273-N318 WeakPolarHBondContact CA-O 3.28Å; S273-N318 WeakPolarHBondContact CB-O 3.47Å
274Y97.1Very high93.3Very high30 Ų3051.6 Ų51.612%0.11828%0.281CS..EExtended strand (participates in β ladder)trans-113.4144.7170.672.7-96.4000110.6V304 F315 G317 N318 E319 T320Y274-V304 WeakPolarHBondContact CA-O 3.28Å; Y274-F315 HydrophobicContact CD1-CB 3.83Å; Y274-F315 HydrophobicContact CD2-CB 4.39Å; Y274-F315 HydrophobicContact CD2-CD1 4.4Å; Y274-F315 HydrophobicContact CE1-CB 4.05Å; Y274-F315 HydrophobicContact CG-CB 4.01Å; Y274-F315 HydrophobicContact CG-CD1 4.16Å; Y274-F315 HydrophobicContact CG-CG 4.39Å; Y274-G317 WeakPolarHBondContact CD1-O 3.07Å; Y274-G317 WeakPolarHBondContact CE1-O 3.38Å; Y274-N318 PolarHBondContact N-O 3.01Å; Y274-E319 HydrophobicContact CD2-CG 4.38Å; Y274-E319 HydrophobicContact CE1-CB 3.91Å; Y274-E319 HydrophobicContact CE1-CG 4.49Å; Y274-E319 HydrophobicContact CE2-CB 3.87Å; Y274-E319 HydrophobicContact CE2-CG 3.52Å; Y274-E319 WeakPolarHBondContact CE2-OE1 3.41Å; Y274-E319 VanDerWaalsContact CZ-CB 3.45Å; Y274-E319 WeakPolarHBondContact OH-CB 3.38Å; Y274-E319 PolarHBondContact OH-OE1 3.41Å; Y274-E319 PolarHBondContact OH-OE2 3.2Å; Y274-T320 PolarHBondContact O-N 3.38Å
275Y96.5Very high93.6Very high22 Ų2245.9 Ų45.99%0.08625%0.251CS..EExtended strand (participates in β ladder)trans-86140.5174.2-172.6-128.5000110.5F267 I269 C277 L302 K303 V304 T320 C322F267-Y275 HydrophobicContact CB-CE1 4.16Å; F267-Y275 HydrophobicContact CB-CE2 4.32Å; F267-Y275 AromaticContact CD1-CD1 3.7Å; F267-Y275 HydrophobicContact CD1-CD1 3.7Å; F267-Y275 AromaticContact CD1-CE1 3.37Å; F267-Y275 HydrophobicContact CD1-CE1 3.37Å; F267-Y275 HydrophobicContact CD2-CD1 4.21Å; F267-Y275 HydrophobicContact CD2-CE1 4.5Å; F267-Y275 HydrophobicContact CD2-CG 4.41Å; F267-Y275 AromaticContact CE1-CD1 3.81Å; F267-Y275 HydrophobicContact CE1-CD1 3.81Å; F267-Y275 AromaticContact CE1-CE1 3.84Å; F267-Y275 HydrophobicContact CE1-CE1 3.84Å; F267-Y275 HydrophobicContact CE2-CD1 4.3Å; F267-Y275 AromaticContact CG-CD1 3.93Å; F267-Y275 HydrophobicContact CG-CD1 3.93Å; F267-Y275 AromaticContact CG-CE1 3.76Å; F267-Y275 HydrophobicContact CG-CE1 3.76Å; F267-Y275 HydrophobicContact CG-CG 4.39Å; F267-Y275 HydrophobicContact CZ-CD1 4.1Å; I269-Y275 HydrophobicContact CD1-CD2 3.31Å; I269-Y275 HydrophobicContact CD1-CE2 4.07Å; I269-Y275 HydrophobicContact CD1-CG 3.82Å; I269-Y275 HydrophobicContact CG1-CD2 4.21Å; I269-Y275 HydrophobicContact CG1-CG 4.25Å; Y275-C277 HydrophobicContact CE1-CB 4Å; Y275-L302 HydrophobicContact CD1-CD2 3.82Å; Y275-L302 HydrophobicContact CD1-CG 4.36Å; Y275-L302 HydrophobicContact CE1-CD2 3.8Å; Y275-K303 CarbonylContact O-C 3.58Å; Y275-K303 WeakPolarHBondContact O-CA 3.32Å; Y275-V304 HydrophobicContact CD1-CG1 4.15Å; Y275-V304 HydrophobicContact CG-CG1 4.47Å; Y275-V304 PolarHBondContact N-O 3.21Å; Y275-V304 PolarHBondContact O-N 2.97Å; Y275-T320 WeakPolarHBondContact CA-O 3.35Å; Y275-T320 WeakPolarHBondContact CD2-O 3.43Å; Y275-C322 HydrophobicContact CE2-CB 3.69Å; Y275-C322 WeakPolarHBondContact OH-CB 3.38Å
276S95.5Very high93.7Very high13 Ų1348.5 Ų48.59%0.09126%0.26CS..EExtended strand (participates in β ladder)trans-137.6123.6-179.7-166.20000109.3L302 E319 T320 L321 C322S276-L302 CarbonylContact C-O 3.55Å; S276-L302 WeakPolarHBondContact CA-O 3.41Å; S276-E319 WeakPolarHBondContact CB-OE1 3.39Å; S276-E319 PolarHBondContact OG-OE1 3.49Å; S276-T320 PolarHBondContact N-O 3.39Å; S276-L321 WeakPolarHBondContact O-CA 3.15Å; S276-C322 PolarHBondContact O-N 3.02Å; S276-C322 VanDerWaalsContact O-N 3.11Å
277C94.4Very high93.6Very high1 Ų147.5 Ų47.51%0.00726%0.259CS..EExtended strand (participates in β ladder)trans-148.5120.5-178.6-163.90000111.8Y275 T279 V280 N301 L302 C322 D325Y275-C277 HydrophobicContact CE1-CB 4Å; C277-T279 VanDerWaalsContact SG-C 3.5Å; C277-T279 PolarHBondContact SG-O 3.14Å; C277-V280 HydrophobicContact CB-CG2 4.04Å; C277-N301 CarbonylContact O-C 3.58Å; C277-N301 WeakPolarHBondContact O-CA 3.33Å; C277-N301 PolarHBondContact O-N 3.15Å; C277-L302 HydrophobicContact CB-CB 4.4Å; C277-L302 PolarHBondContact N-O 3.17Å; C277-L302 PolarHBondContact O-N 2.68Å; C277-C322 WeakPolarHBondContact CA-SG 3.26Å; C277-C322 HydrophobicContact CB-CB 3.55Å; C277-C322 WeakPolarHBondContact CB-SG 3.35Å; C277-C322 WeakPolarHBondContact SG-CB 3.1Å; C277-C322 CovalentContact SG-SG 2.04Å; C277-C322 PolarHBondContact SG-SG 3.34Å; C277-D325 VanDerWaalsContact CA-OD2 3.27Å; C277-D325 WeakPolarHBondContact CA-OD2 3.48Å
278L92.3Very high93.1Very high103 Ų10350.6 Ų50.654%0.53928%0.276SS..EExtended strand (participates in β ladder)trans-66.4-42.5177.5-64.4172000110.5K300 N301 D325L278-K300 CarbonylContact O-C 3.47Å; L278-K300 VanDerWaalsContact O-CA 3.25Å; L278-K300 WeakPolarHBondContact O-CA 3.14Å; L278-N301 PolarHBondContact O-N 3.33Å; L278-D325 WeakPolarHBondContact CB-OD1 3.41Å; L278-D325 WeakPolarHBondContact CG-OD2 3.23Å; L278-D325 PolarHBondContact N-OD1 2.99Å; L278-D325 PolarHBondContact N-OD2 2.96Å
279T88Confident92.4Very high80 Ų8052.1 Ų52.149%0.49129%0.29SS..EExtended strand (participates in β ladder)trans-137.5109.4176.7-56.70000110.8C277C277-T279 VanDerWaalsContact SG-C 3.5Å; C277-T279 PolarHBondContact SG-O 3.14Å
280V88.6Confident91.4Very high6 Ų661 Ų614%0.03633%0.329CS..PPolyproline II helixtrans-76.4140.5173-1740000109.2V266 C277 M299 L302V266-V280 HydrophobicContact CG1-CG1 4.34Å; C277-V280 HydrophobicContact CB-CG2 4.04Å; V280-M299 HydrophobicContact CB-CB 4.06Å; V280-M299 HydrophobicContact CG1-CE 4.14Å; V280-M299 HydrophobicContact CG2-CB 3.86Å; V280-M299 PolarHBondContact N-O 2.86Å; V280-L302 HydrophobicContact CG2-CB 3.77Å; V280-L302 HydrophobicContact CG2-CD2 3.5Å; V280-L302 HydrophobicContact CG2-CG 4.27Å
281P88.6Confident90.4Very high77 Ų7759.7 Ų59.750%0.532%0.319SS..PPolyproline II helixtrans-51147.6170-27.635.2000112.4I283P281-I283 PolarHBondContact O-N 3.48Å
282E92.7Very high89.7Confident100 Ų10061.8 Ų61.847%0.46733%0.333SS..PPolyproline II helixtrans-62.1128.9179.659.6169.1-153.600111.6K296 F298E282-K296 IonicContact OE1-NZ 2.82Å; E282-K296 PolarHBondContact OE1-NZ 2.64Å; E282-K296 WeakPolarHBondContact OE2-CD 3.37Å; E282-K296 IonicContact OE2-NZ 3.91Å; E282-K296 PolarHBondContact OE2-NZ 3.17Å; E282-F298 HydrophobicContact CB-CD1 4.09Å; E282-F298 HydrophobicContact CB-CE1 3.72Å; E282-F298 HydrophobicContact CB-CZ 4.45Å
283I94.8Very high89.3Confident17 Ų1759.8 Ų59.89%0.08731%0.312CS..EExtended strand (participates in β ladder)trans-102.3122.6179.7-55.2172.8000108.4I237 V266 P281 L285 K296 L297 M299I237-I283 HydrophobicContact CD1-CD1 3.63Å; I237-I283 HydrophobicContact CD1-CG2 4.34Å; V266-I283 HydrophobicContact CB-CD1 4.44Å; V266-I283 HydrophobicContact CG1-CD1 3.7Å; V266-I283 HydrophobicContact CG1-CG1 4.48Å; V266-I283 HydrophobicContact CG2-CD1 3.78Å; P281-I283 PolarHBondContact O-N 3.48Å; I283-L285 HydrophobicContact CG2-CD2 4.06Å; I283-K296 CarbonylContact O-C 3.57Å; I283-K296 WeakPolarHBondContact O-CA 3.41Å; I283-L297 HydrophobicContact CB-CB 4.26Å; I283-L297 HydrophobicContact CD1-CD2 4.24Å; I283-L297 PolarHBondContact N-O 2.7Å; I283-L297 PolarHBondContact O-N 2.89Å; I283-M299 HydrophobicContact CD1-CE 3.6Å
284T95.9Very high89.1Confident61 Ų6162.4 Ų62.437%0.37432%0.324SS..EExtended strand (participates in β ladder)trans-92.1114.3176.3-600000110.4K286T284-K286 HydrophobicContact CG2-CG 4.47Å
285L96.5Very high89.1Confident0 Ų061 Ų610%032%0.319CS..EExtended strand (participates in β ladder)trans-90.9130.4170.6-47.2-179.8000109.1I237 L239 V260 I283 N294 C295I237-L285 HydrophobicContact CB-CD2 3.9Å; I237-L285 HydrophobicContact CG2-CD1 4.11Å; I237-L285 HydrophobicContact CG2-CD2 3.76Å; L239-L285 HydrophobicContact CB-CD1 3.97Å; V260-L285 HydrophobicContact CB-CB 3.92Å; V260-L285 HydrophobicContact CG2-CB 3.83Å; V260-L285 HydrophobicContact CG2-CD1 4.07Å; I283-L285 HydrophobicContact CG2-CD2 4.06Å; L285-N294 CarbonylContact O-C 3.51Å; L285-N294 WeakPolarHBondContact O-CA 3.11Å; L285-C295 HydrophobicContact CB-CB 4.22Å; L285-C295 HydrophobicContact CD1-CB 4.46Å; L285-C295 PolarHBondContact N-O 2.76Å; L285-C295 PolarHBondContact O-N 2.79Å
286K94.5Very high89.1Confident141 Ų14162.4 Ų62.461%0.61333%0.326SS*.EExtended strand (participates in β ladder)trans-106.7139.9-178.4-65.5-177.7-179.5178.50110.6V260 S261 T284V260-K286 CarbonylContact C-O 3.53Å; V260-K286 VanDerWaalsContact CA-O 3.31Å; V260-K286 WeakPolarHBondContact CA-O 3.3Å; S261-K286 PolarHBondContact N-O 3.03Å; S261-K286 PolarHBondContact O-N 2.91Å; T284-K286 HydrophobicContact CG2-CG 4.47Å
287G90Very high89.1Confident23 Ų2361.9 Ų61.924%0.23732%0.322CS..  trans-74-176.3170.400000112.5N293G287-N293 WeakPolarHBondContact CA-O 3.17Å; G287-N293 PolarHBondContact N-O 2.88Å
288N83.6Confident89.1Confident80 Ų8063.9 Ų63.943%0.42833%0.33SS..  trans-83.9168.2174.163.219.7000111.4K290 I291N288-K290 PolarHBondContact O-N 3.11Å; N288-K290 VanDerWaalsContact O-N 3.16Å; N288-K290 PolarHBondContact OD1-N 3.46Å; N288-I291 CarbonylContact O-C 3.58Å; N288-I291 PolarHBondContact O-N 2.81Å; N288-I291 VanDerWaalsContact O-N 3.07Å; N288-I291 WeakPolarHBondContact OD1-CA 3.12Å; N288-I291 WeakPolarHBondContact OD1-CB 3.41Å; N288-I291 PolarHBondContact OD1-N 2.9Å
289E78.1Confident89.2Confident197 Ų19759.1 Ų59.192%0.92131%0.305SS*.THydrogen-bonded Turntrans-59.1-29.3179.3-63.4-17817100113.1
290K73.6Confident89.5Confident189 Ų18960.2 Ų60.282%0.82230%0.303SS*.THydrogen-bonded Turntrans-72.7-29.6179.1-63.4-175-179.8-177.90112.5N288N288-K290 PolarHBondContact O-N 3.11Å; N288-K290 VanDerWaalsContact O-N 3.16Å; N288-K290 PolarHBondContact OD1-N 3.46Å
291I74Confident89.7Confident20 Ų2062.3 Ų62.310%0.10331%0.314CS..SBendtrans-136.587.7-175-52.2179.3000107V258 N288 N293V258-I291 HydrophobicContact CG1-CG2 3.95Å; V258-I291 HydrophobicContact CG2-CD1 4.14Å; V258-I291 HydrophobicContact CG2-CG2 4.05Å; N288-I291 CarbonylContact O-C 3.58Å; N288-I291 PolarHBondContact O-N 2.81Å; N288-I291 VanDerWaalsContact O-N 3.07Å; N288-I291 WeakPolarHBondContact OD1-CA 3.12Å; N288-I291 WeakPolarHBondContact OD1-CB 3.41Å; N288-I291 PolarHBondContact OD1-N 2.9Å; I291-N293 HydrophobicContact CG2-CB 4.25Å; I291-N293 WeakPolarHBondContact CG2-ND2 3.33Å; I291-N293 PolarHBondContact O-N 3.24Å
292P79.7Confident90.1Very high78 Ų7858.7 Ų58.751%0.50629%0.291SS..  trans-76.740-173.734-37.7000112.3
293N84.9Confident90.3Very high5 Ų556.9 Ų56.93%0.02728%0.281CS..  trans-76.1147.1173.4-64.6-15.4000109.1F158 Y241 M243 V258 G287 I291F158-N293 WeakPolarHBondContact O-CB 3.32Å; Y241-N293 WeakPolarHBondContact OH-CB 3.25Å; Y241-N293 PolarHBondContact OH-ND2 2.9Å; M243-N293 WeakPolarHBondContact CE-ND2 3.43Å; V258-N293 HydrophobicContact CG1-CB 4.36Å; G287-N293 WeakPolarHBondContact CA-O 3.17Å; G287-N293 PolarHBondContact N-O 2.88Å; I291-N293 HydrophobicContact CG2-CB 4.25Å; I291-N293 WeakPolarHBondContact CG2-ND2 3.33Å; I291-N293 PolarHBondContact O-N 3.24Å
294N92.7Very high90.4Very high67 Ų6756.1 Ų56.136%0.35828%0.277SS..EExtended strand (participates in β ladder)trans-123153.6174.5-62.4-49.5000108.5F158 L285F158-N294 WeakPolarHBondContact CB-O 3.42Å; F158-N294 PolarHBondContact N-O 3.43Å; F158-N294 PolarHBondContact O-N 3.03Å; L285-N294 CarbonylContact O-C 3.51Å; L285-N294 WeakPolarHBondContact O-CA 3.11Å
295C95.5Very high90.5Very high0 Ų053.4 Ų53.40%026%0.26CS..EExtended strand (participates in β ladder)trans-132.3131.6172.1-176.50000108.9Q156 V157 L239 V260 L285Q156-C295 CarbonylContact O-C 3.45Å; Q156-C295 VanDerWaalsContact O-CA 3.3Å; Q156-C295 WeakPolarHBondContact O-CA 3.05Å; V157-C295 HydrophobicContact CG2-CB 4.24Å; L239-C295 HydrophobicContact CD2-CB 4.47Å; V260-C295 HydrophobicContact CB-CB 4.5Å; V260-C295 HydrophobicContact CG2-CB 3.72Å; L285-C295 HydrophobicContact CB-CB 4.22Å; L285-C295 HydrophobicContact CD1-CB 4.46Å; L285-C295 PolarHBondContact N-O 2.76Å; L285-C295 PolarHBondContact O-N 2.79Å
296K96.4Very high90.5Very high53 Ų5353.4 Ų53.423%0.2326%0.261CS..EExtended strand (participates in β ladder)trans-93129167.6-71-179.5170.1-150.60109.2F155 Q156 F158 E282 I283 F298F155-K296 CarbonylContact C-O 3.49Å; F155-K296 WeakPolarHBondContact CA-O 3.39Å; Q156-K296 HydrophobicContact CB-CB 4.27Å; Q156-K296 PolarHBondContact N-O 3.18Å; Q156-K296 PolarHBondContact O-N 3.49Å; F158-K296 HydrophobicContact CE2-CB 4.24Å; F158-K296 HydrophobicContact CE2-CD 3.88Å; F158-K296 HydrophobicContact CE2-CG 3.78Å; F158-K296 HydrophobicContact CZ-CD 4.08Å; F158-K296 HydrophobicContact CZ-CG 4.47Å; E282-K296 IonicContact OE1-NZ 2.82Å; E282-K296 PolarHBondContact OE1-NZ 2.64Å; E282-K296 WeakPolarHBondContact OE2-CD 3.37Å; E282-K296 IonicContact OE2-NZ 3.91Å; E282-K296 PolarHBondContact OE2-NZ 3.17Å; I283-K296 CarbonylContact O-C 3.57Å; I283-K296 WeakPolarHBondContact O-CA 3.41Å; K296-F298 HydrophobicContact CB-CE2 3.68Å; K296-F298 HydrophobicContact CB-CZ 3.83Å; K296-F298 HydrophobicContact CD-CZ 4.12Å
297L96.2Very high90.6Very high1 Ų148 Ų481%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-103.6130.6173.8167.365.7000109I153 F155 I237 I283 M299I153-L297 HydrophobicContact CG2-CD1 3.59Å; F155-L297 HydrophobicContact CD1-CB 4.47Å; F155-L297 HydrophobicContact CD1-CD1 4.01Å; F155-L297 HydrophobicContact CE1-CD1 3.65Å; F155-L297 HydrophobicContact CZ-CD1 4.05Å; I237-L297 HydrophobicContact CD1-CD2 3.76Å; I237-L297 HydrophobicContact CG2-CD2 3.83Å; I283-L297 HydrophobicContact CB-CB 4.26Å; I283-L297 HydrophobicContact CD1-CD2 4.24Å; I283-L297 PolarHBondContact N-O 2.7Å; I283-L297 PolarHBondContact O-N 2.89Å; L297-M299 HydrophobicContact CD1-CG 4.1Å; L297-M299 HydrophobicContact CD2-CE 4.27Å; L297-M299 HydrophobicContact CD2-SD 4.4Å; L297-M299 HydrophobicContact CG-CG 4.23Å
298F94.8Very high90.8Very high43 Ų4347.7 Ų47.719%0.18923%0.23CC..EExtended strand (participates in β ladder)trans-119.2131.3174.5-54.6-89.2000108.4I153 M154 Q156 E282 K296I153-F298 WeakPolarHBondContact CA-O 3.17Å; M154-F298 HydrophobicContact CB-CB 4.31Å; M154-F298 HydrophobicContact CE-CB 4.02Å; M154-F298 HydrophobicContact CE-CD2 3.58Å; M154-F298 HydrophobicContact CE-CE2 4.17Å; M154-F298 HydrophobicContact CE-CG 3.79Å; M154-F298 PolarHBondContact N-O 2.78Å; M154-F298 PolarHBondContact O-N 3.32Å; Q156-F298 HydrophobicContact CB-CE2 4.04Å; E282-F298 HydrophobicContact CB-CD1 4.09Å; E282-F298 HydrophobicContact CB-CE1 3.72Å; E282-F298 HydrophobicContact CB-CZ 4.45Å; K296-F298 HydrophobicContact CB-CE2 3.68Å; K296-F298 HydrophobicContact CB-CZ 3.83Å; K296-F298 HydrophobicContact CD-CZ 4.12Å
299M94.4Very high91.4Very high4 Ų449.9 Ų49.92%0.0224%0.242CC..EExtended strand (participates in β ladder)trans-125.8127.4176.2-68.4-172.7-72.800109.1F149 D152 I153 V280 I283 L297 L302F149-M299 HydrophobicContact CZ-SD 4.26Å; D152-M299 WeakPolarHBondContact O-CA 3.13Å; I153-M299 HydrophobicContact CG1-CG 4.22Å; V280-M299 HydrophobicContact CB-CB 4.06Å; V280-M299 HydrophobicContact CG1-CE 4.14Å; V280-M299 HydrophobicContact CG2-CB 3.86Å; V280-M299 PolarHBondContact N-O 2.86Å; I283-M299 HydrophobicContact CD1-CE 3.6Å; L297-M299 HydrophobicContact CD1-CG 4.1Å; L297-M299 HydrophobicContact CD2-CE 4.27Å; L297-M299 HydrophobicContact CD2-SD 4.4Å; L297-M299 HydrophobicContact CG-CG 4.23Å; M299-L302 HydrophobicContact CE-CD2 4.37Å; M299-L302 HydrophobicContact SD-CD1 4.42Å
300K93.8Very high92.1Very high103 Ų10342.6 Ų42.645%0.44821%0.209SC..EExtended strand (participates in β ladder)trans-120.7150.5176.6-66.1-178.5178.9-178.30110.5S151 D152 L278 L302S151-K300 PolarHBondContact OG-O 2.74Å; D152-K300 HydrophobicContact CB-CB 4.2Å; D152-K300 PolarHBondContact N-O 3.17Å; D152-K300 PolarHBondContact O-N 3.37Å; L278-K300 CarbonylContact O-C 3.47Å; L278-K300 VanDerWaalsContact O-CA 3.25Å; L278-K300 WeakPolarHBondContact O-CA 3.14Å; K300-L302 PolarHBondContact O-N 3.01Å
301N93.9Very high93.1Very high49 Ų4938.3 Ų38.326%0.26220%0.203SC..EExtended strand (participates in β ladder)trans50.240.8-177.4-54.7-58.6000111.9V134 C277 L278 K303V134-N301 HydrophobicContact CG1-CB 4.32Å; V134-N301 HydrophobicContact CG2-CB 3.98Å; C277-N301 CarbonylContact O-C 3.58Å; C277-N301 WeakPolarHBondContact O-CA 3.33Å; C277-N301 PolarHBondContact O-N 3.15Å; L278-N301 PolarHBondContact O-N 3.33Å; N301-K303 PolarHBondContact O-N 2.91Å
302L95.9Very high94.2Very high1 Ų141.3 Ų41.31%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-68.5122.3-179.1175.864.3000109.1F149 Q150 F267 Y275 S276 C277 V280 M299 K300 V304F149-L302 HydrophobicContact CD2-CD1 4.09Å; F149-L302 HydrophobicContact CE2-CD1 3.45Å; F149-L302 VanDerWaalsContact CE2-CD1 3.45Å; F149-L302 HydrophobicContact CZ-CD1 3.86Å; Q150-L302 CarbonylContact O-C 3.49Å; Q150-L302 VanDerWaalsContact O-CA 3.28Å; Q150-L302 WeakPolarHBondContact O-CA 3.43Å; F267-L302 HydrophobicContact CE1-CD2 3.95Å; Y275-L302 HydrophobicContact CD1-CD2 3.82Å; Y275-L302 HydrophobicContact CD1-CG 4.36Å; Y275-L302 HydrophobicContact CE1-CD2 3.8Å; S276-L302 CarbonylContact C-O 3.55Å; S276-L302 WeakPolarHBondContact CA-O 3.41Å; C277-L302 HydrophobicContact CB-CB 4.4Å; C277-L302 PolarHBondContact N-O 3.17Å; C277-L302 PolarHBondContact O-N 2.68Å; V280-L302 HydrophobicContact CG2-CB 3.77Å; V280-L302 HydrophobicContact CG2-CD2 3.5Å; V280-L302 HydrophobicContact CG2-CG 4.27Å; M299-L302 HydrophobicContact CE-CD2 4.37Å; M299-L302 HydrophobicContact SD-CD1 4.42Å; K300-L302 PolarHBondContact O-N 3.01Å; L302-V304 HydrophobicContact CD1-CG1 4.48Å
303K97.1Very high94.9Very high63 Ų6340.9 Ų40.927%0.27421%0.213SC..EExtended strand (participates in β ladder)trans-125.9132.3162.1-61.9-170.3174.3-161.80110.1F149 Q150 Y275 N301 F315F149-K303 CarbonylContact C-O 3.11Å; F149-K303 WeakPolarHBondContact CA-O 3Å; Q150-K303 HydrophobicContact CB-CB 4.24Å; Q150-K303 PolarHBondContact N-O 2.89Å; Q150-K303 PolarHBondContact O-N 3.44Å; Y275-K303 CarbonylContact O-C 3.58Å; Y275-K303 WeakPolarHBondContact O-CA 3.32Å; N301-K303 PolarHBondContact O-N 2.91Å; K303-F315 HydrophobicContact CB-CD1 4.48Å; K303-F315 HydrophobicContact CB-CD2 4.36Å; K303-F315 HydrophobicContact CB-CE1 3.88Å; K303-F315 HydrophobicContact CB-CE2 3.74Å; K303-F315 HydrophobicContact CB-CZ 3.47Å; K303-F315 VanDerWaalsContact CB-CZ 3.47Å; K303-F315 HydrophobicContact CD-CD2 4.2Å; K303-F315 HydrophobicContact CD-CE2 4.13Å
304V97.7Very high95.5Very high0 Ų042.5 Ų42.50%023%0.227CC..EExtended strand (participates in β ladder)trans-147.8131178.957.50000112.2F147 L148 F149 F213 Y232 F267 Y274 Y275 L302F147-V304 HydrophobicContact CE2-CG2 3.63Å; F147-V304 HydrophobicContact CZ-CG2 3.91Å; L148-V304 VanDerWaalsContact O-CA 3.32Å; L148-V304 WeakPolarHBondContact O-CA 3.31Å; F149-V304 HydrophobicContact CD2-CB 4.12Å; F149-V304 HydrophobicContact CD2-CG2 4.08Å; F213-V304 HydrophobicContact CE1-CG2 3.68Å; F213-V304 HydrophobicContact CZ-CG2 3.81Å; Y232-V304 PolarHBondContact OH-O 3.37Å; F267-V304 HydrophobicContact CE1-CG1 4.44Å; F267-V304 HydrophobicContact CE2-CG1 4.01Å; F267-V304 HydrophobicContact CZ-CG1 3.61Å; Y274-V304 WeakPolarHBondContact CA-O 3.28Å; Y275-V304 HydrophobicContact CD1-CG1 4.15Å; Y275-V304 HydrophobicContact CG-CG1 4.47Å; Y275-V304 PolarHBondContact N-O 3.21Å; Y275-V304 PolarHBondContact O-N 2.97Å; L302-V304 HydrophobicContact CD1-CG1 4.48Å
305E97.6Very high95.7Very high4 Ų441.4 Ų41.42%0.01922%0.219CC..EExtended strand (participates in β ladder)trans-129.5122.6173.2-168.9171.4167.500107.6F147 L148 M308 F315 I316 G317F147-E305 WeakPolarHBondContact CA-O 3.18Å; L148-E305 PolarHBondContact N-O 3.46Å; L148-E305 PolarHBondContact O-N 2.9Å; E305-M308 HydrophobicContact CB-SD 4.42Å; E305-M308 HydrophobicContact CG-CB 4.32Å; E305-M308 HydrophobicContact CG-CE 4.13Å; E305-M308 HydrophobicContact CG-SD 4.28Å; E305-F315 HydrophobicContact CB-CD1 3.84Å; E305-F315 HydrophobicContact CB-CE1 4.18Å; E305-F315 VanDerWaalsContact OE2-CA 3.25Å; E305-F315 WeakPolarHBondContact OE2-CA 3.36Å; E305-I316 PolarHBondContact OE2-N 2.71Å; E305-G317 PolarHBondContact OE1-N 2.96Å; E305-G317 PolarHBondContact OE2-N 3.27Å
306A96.8Very high95.6Very high1 Ų145.6 Ų45.61%0.00824%0.241CC..EExtended strand (participates in β ladder)trans-120.5157-178.200000110.5F147 Y232 M308F147-A306 HydrophobicContact CD2-CB 3.67Å; F147-A306 HydrophobicContact CE2-CB 3.99Å; Y232-A306 HydrophobicContact CD2-CB 3.86Å; Y232-A306 HydrophobicContact CE2-CB 3.98Å; Y232-A306 HydrophobicContact CG-CB 4.2Å; A306-M308 PolarHBondContact O-N 2.88Å
307F96.1Very high95.4Very high27 Ų2743.7 Ų43.712%0.11824%0.235CC..EExtended strand (participates in β ladder)trans59.531.2179.4-49.8-82.6000113.2C146 F213 R215 Y232 V271C146-F307 PolarHBondContact O-N 3.1Å; F213-F307 HydrophobicContact CB-CE2 4.29Å; R215-F307 HydrophobicContact CB-CD1 4.1Å; R215-F307 HydrophobicContact CB-CD2 4.21Å; R215-F307 HydrophobicContact CB-CE1 3.74Å; R215-F307 HydrophobicContact CB-CE2 3.89Å; R215-F307 HydrophobicContact CB-CG 4.31Å; R215-F307 HydrophobicContact CB-CZ 3.63Å; Y232-F307 VanDerWaalsContact CB-CE2 3.5Å; Y232-F307 HydrophobicContact CD1-CD2 4.49Å; Y232-F307 HydrophobicContact CG-CD2 4.09Å; Y232-F307 HydrophobicContact CG-CE2 4.26Å; V271-F307 HydrophobicContact CG1-CB 4.34Å
308M94.8Very high95.3Very high17 Ų1749.6 Ų49.68%0.08427%0.267CS..EExtended strand (participates in β ladder)trans-80.8164.6175.977.6-158.8-57.200111Y145 C146 L148 E305 A306 N310 A314Y145-M308 CarbonylContact O-C 3.54Å; Y145-M308 WeakPolarHBondContact O-CG 3.09Å; C146-M308 WeakPolarHBondContact CA-O 3.42Å; C146-M308 PolarHBondContact O-N 2.94Å; C146-M308 VanDerWaalsContact O-N 3.13Å; L148-M308 HydrophobicContact CB-SD 4.39Å; L148-M308 HydrophobicContact CD1-CE 3.77Å; L148-M308 HydrophobicContact CD1-SD 3.89Å; L148-M308 HydrophobicContact CG-CE 4.23Å; L148-M308 HydrophobicContact CG-SD 3.65Å; E305-M308 HydrophobicContact CB-SD 4.42Å; E305-M308 HydrophobicContact CG-CB 4.32Å; E305-M308 HydrophobicContact CG-CE 4.13Å; E305-M308 HydrophobicContact CG-SD 4.28Å; A306-M308 PolarHBondContact O-N 2.88Å; M308-N310 HydrophobicContact CE-CB 4.23Å; M308-N310 WeakPolarHBondContact CE-ND2 3.33Å; M308-A314 WeakPolarHBondContact CE-O 3.2Å
309N94.4Very high95.3Very high126 Ų12652 Ų5267%0.67428%0.279SS*.EExtended strand (participates in β ladder)trans-141.265.8173.5-175.816.2000109.3S144S144-N309 WeakPolarHBondContact CB-OD1 3.42Å; S144-N309 PolarHBondContact OG-OD1 2.87Å
310N94Very high95.3Very high44 Ų4454 Ų5424%0.23529%0.291CS..EExtended strand (participates in β ladder)trans-119.8143.8-173.4-68.7-33.6000110.8S144 Y145 M308 V312 I316S144-N310 CarbonylContact C-O 3.6Å; S144-N310 WeakPolarHBondContact CA-O 3.44Å; Y145-N310 PolarHBondContact N-O 3.22Å; Y145-N310 PolarHBondContact O-N 2.78Å; M308-N310 HydrophobicContact CE-CB 4.23Å; M308-N310 WeakPolarHBondContact CE-ND2 3.33Å; N310-V312 VanDerWaalsContact C-N 3.27Å; N310-I316 HydrophobicContact CB-CD1 3.72Å; N310-I316 WeakPolarHBondContact ND2-CD1 3.04Å
311S94.8Very high95.2Very high99 Ų9953.3 Ų53.369%0.69229%0.292SS*.SBendtrans-77.5-14.8175.555.10000113.3
312V95.6Very high95.1Very high82 Ų8251.1 Ų51.150%0.49728%0.281SS..SBendtrans-105.9136.3-174.9-176.60000110.4N310 A314 I316N310-V312 VanDerWaalsContact C-N 3.27Å; V312-A314 HydrophobicContact CG1-CB 3.88Å; V312-A314 PolarHBondContact O-N 3.33Å; V312-I316 HydrophobicContact CB-CD1 4.32Å
313E96.2Very high94.6Very high70 Ų7057.6 Ų57.633%0.32732%0.315SS..SBendtrans-79.954.6177.4-157.4-172.6126.300112.8K136 Y145 L148K136-E313 WeakPolarHBondContact CE-OE1 3.26Å; K136-E313 PolarHBondContact NZ-O 2.93Å; K136-E313 IonicContact NZ-OE1 2.77Å; K136-E313 PolarHBondContact NZ-OE1 3.1Å; Y145-E313 HydrophobicContact CD1-CB 4.37Å; Y145-E313 HydrophobicContact CD1-CG 3.94Å; Y145-E313 HydrophobicContact CD2-CB 4.16Å; Y145-E313 HydrophobicContact CE1-CB 3.81Å; Y145-E313 HydrophobicContact CE1-CG 3.41Å; Y145-E313 VanDerWaalsContact CE1-CG 3.41Å; Y145-E313 HydrophobicContact CE2-CB 3.61Å; Y145-E313 HydrophobicContact CE2-CG 4.18Å; Y145-E313 HydrophobicContact CG-CG 4.47Å; Y145-E313 PolarHBondContact OH-OE2 3.31Å; L148-E313 HydrophobicContact CD2-CG 3.56Å
314A96.4Very high93.7Very high38 Ų3857.5 Ų57.531%0.31432%0.322SS..SBendtrans-132.2149.9-178.800000110.7L148 M308 V312 I316L148-A314 VanDerWaalsContact CD1-O 3.29Å; L148-A314 WeakPolarHBondContact CD1-O 3.42Å; M308-A314 WeakPolarHBondContact CE-O 3.2Å; V312-A314 HydrophobicContact CG1-CB 3.88Å; V312-A314 PolarHBondContact O-N 3.33Å; A314-I316 HydrophobicContact CB-CG1 4.34Å; A314-I316 WeakPolarHBondContact O-CG1 3.41Å; A314-I316 PolarHBondContact O-N 2.99Å
315F96.4Very high92.8Very high44 Ų4459.7 Ų59.719%0.19333%0.334CS..  trans-69.1111.3167.4-62.7-74.8000108L148 Q150 Y274 K303 E305L148-F315 HydrophobicContact CB-CD1 4.27Å; L148-F315 HydrophobicContact CB-CE1 3.66Å; L148-F315 HydrophobicContact CB-CZ 3.98Å; L148-F315 HydrophobicContact CD1-CD1 4.44Å; Q150-F315 HydrophobicContact CB-CE2 4.23Å; Q150-F315 HydrophobicContact CB-CZ 4.02Å; Y274-F315 HydrophobicContact CD1-CB 3.83Å; Y274-F315 HydrophobicContact CD2-CB 4.39Å; Y274-F315 HydrophobicContact CD2-CD1 4.4Å; Y274-F315 HydrophobicContact CE1-CB 4.05Å; Y274-F315 HydrophobicContact CG-CB 4.01Å; Y274-F315 HydrophobicContact CG-CD1 4.16Å; Y274-F315 HydrophobicContact CG-CG 4.39Å; K303-F315 HydrophobicContact CB-CD1 4.48Å; K303-F315 HydrophobicContact CB-CD2 4.36Å; K303-F315 HydrophobicContact CB-CE1 3.88Å; K303-F315 HydrophobicContact CB-CE2 3.74Å; K303-F315 HydrophobicContact CB-CZ 3.47Å; K303-F315 VanDerWaalsContact CB-CZ 3.47Å; K303-F315 HydrophobicContact CD-CD2 4.2Å; K303-F315 HydrophobicContact CD-CE2 4.13Å; E305-F315 HydrophobicContact CB-CD1 3.84Å; E305-F315 HydrophobicContact CB-CE1 4.18Å; E305-F315 VanDerWaalsContact OE2-CA 3.25Å; E305-F315 WeakPolarHBondContact OE2-CA 3.36Å
316I94Very high91.5Very high89 Ų8962.7 Ų62.746%0.45635%0.352SS..  trans-111.6-31.4-171.8-69.7161.1000110.9E305 N310 V312 A314E305-I316 PolarHBondContact OE2-N 2.71Å; N310-I316 HydrophobicContact CB-CD1 3.72Å; N310-I316 WeakPolarHBondContact ND2-CD1 3.04Å; V312-I316 HydrophobicContact CB-CD1 4.32Å; A314-I316 HydrophobicContact CB-CG1 4.34Å; A314-I316 WeakPolarHBondContact O-CG1 3.41Å; A314-I316 PolarHBondContact O-N 2.99Å
317G92.3Very high89.7Confident12 Ų1267.8 Ų67.812%0.12438%0.38CS..SBendtrans-59.6171.8179.500000114G272 Y274 E305G272-G317 WeakPolarHBondContact O-CA 3.13Å; Y274-G317 WeakPolarHBondContact CD1-O 3.07Å; Y274-G317 WeakPolarHBondContact CE1-O 3.38Å; E305-G317 PolarHBondContact OE1-N 2.96Å; E305-G317 PolarHBondContact OE2-N 3.27Å
318N94.6Very high87.7Confident126 Ų12671.8 Ų71.867%0.67441%0.406SS*.EExtended strand (participates in β ladder)trans-66137.5172.9-66.7-28.4000110.5G272 S273 Y274 T320G272-N318 PolarHBondContact O-N 2.94Å; S273-N318 CarbonylContact C-O 3.6Å; S273-N318 WeakPolarHBondContact CA-O 3.28Å; S273-N318 WeakPolarHBondContact CB-O 3.47Å; Y274-N318 PolarHBondContact N-O 3.01Å; N318-T320 PolarHBondContact O-N 3.4Å
319E94.9Very high85.8Confident94 Ų9475.8 Ų75.844%0.43943%0.428SS..EExtended strand (participates in β ladder)trans-71.5127.8177.7-172158.9-136.700111Y274 S276 L321Y274-E319 HydrophobicContact CD2-CG 4.38Å; Y274-E319 HydrophobicContact CE1-CB 3.91Å; Y274-E319 HydrophobicContact CE1-CG 4.49Å; Y274-E319 HydrophobicContact CE2-CB 3.87Å; Y274-E319 HydrophobicContact CE2-CG 3.52Å; Y274-E319 WeakPolarHBondContact CE2-OE1 3.41Å; Y274-E319 VanDerWaalsContact CZ-CB 3.45Å; Y274-E319 WeakPolarHBondContact OH-CB 3.38Å; Y274-E319 PolarHBondContact OH-OE1 3.41Å; Y274-E319 PolarHBondContact OH-OE2 3.2Å; S276-E319 WeakPolarHBondContact CB-OE1 3.39Å; S276-E319 PolarHBondContact OG-OE1 3.49Å; E319-L321 HydrophobicContact CG-CD2 4.25Å; E319-L321 HydrophobicContact CG-CG 4.41Å
320T93.9Very high84.3Confident45 Ų4573.8 Ų73.828%0.27642%0.417SS..EExtended strand (participates in β ladder)trans-113.8112.9168.3-55.80000108.9I269 Y274 Y275 S276 N318I269-T320 HydrophobicContact CD1-CG2 3.72Å; Y274-T320 PolarHBondContact O-N 3.38Å; Y275-T320 WeakPolarHBondContact CA-O 3.35Å; Y275-T320 WeakPolarHBondContact CD2-O 3.43Å; S276-T320 PolarHBondContact N-O 3.39Å; N318-T320 PolarHBondContact O-N 3.4Å
321L92.8Very high83.3Confident89 Ų8978.2 Ų78.247%0.46644%0.438SS..EExtended strand (participates in β ladder)trans-79.9152.3179.1-66.7169.5000111.4S276 E319 V326S276-L321 WeakPolarHBondContact O-CA 3.15Å; E319-L321 HydrophobicContact CG-CD2 4.25Å; E319-L321 HydrophobicContact CG-CG 4.41Å; L321-V326 HydrophobicContact CB-CG2 4.28Å
322C91.4Very high82.6Confident3 Ų378.4 Ų78.42%0.0244%0.435CS..  trans-80.2149.917268.80000112.6Y275 S276 C277 S324 D325 V326Y275-C322 HydrophobicContact CE2-CB 3.69Å; Y275-C322 WeakPolarHBondContact OH-CB 3.38Å; S276-C322 PolarHBondContact O-N 3.02Å; S276-C322 VanDerWaalsContact O-N 3.11Å; C277-C322 WeakPolarHBondContact CA-SG 3.26Å; C277-C322 HydrophobicContact CB-CB 3.55Å; C277-C322 WeakPolarHBondContact CB-SG 3.35Å; C277-C322 WeakPolarHBondContact SG-CB 3.1Å; C277-C322 CovalentContact SG-SG 2.04Å; C277-C322 PolarHBondContact SG-SG 3.34Å; C322-S324 PolarHBondContact O-N 2.98Å; C322-D325 PolarHBondContact O-N 3.41Å; C322-V326 WeakPolarHBondContact O-CG2 3.28Å; C322-V326 PolarHBondContact O-N 2.86Å
323D85.1Confident82.1Confident137 Ų13778.6 Ų78.673%0.73344%0.438SS*.THydrogen-bonded Turntrans-55.6-27.1178-59.8-25.3000113.5D325 V326D323-D325 VanDerWaalsContact C-N 3.32Å; D323-V326 PolarHBondContact O-N 2.79Å
324S77.6Confident81.4Confident60 Ų6079.8 Ų79.842%0.4245%0.446SS..THydrogen-bonded Turntrans-69.4-29.8177.6-60.40000112.7C322C322-S324 PolarHBondContact O-N 2.98Å
325D80.1Confident80.9Confident47 Ų4779.7 Ų79.725%0.25145%0.448SS..THydrogen-bonded Turntrans-89.3-23.7177.2-69.9-0.5000112.1C277 L278 C322 D323 N327C277-D325 VanDerWaalsContact CA-OD2 3.27Å; C277-D325 WeakPolarHBondContact CA-OD2 3.48Å; L278-D325 WeakPolarHBondContact CB-OD1 3.41Å; L278-D325 WeakPolarHBondContact CG-OD2 3.23Å; L278-D325 PolarHBondContact N-OD1 2.99Å; L278-D325 PolarHBondContact N-OD2 2.96Å; C322-D325 PolarHBondContact O-N 3.41Å; D323-D325 VanDerWaalsContact C-N 3.32Å; D325-N327 PolarHBondContact O-N 3.09Å; D325-N327 VanDerWaalsContact O-N 3.14Å
326V68.6Low80.7Confident66 Ų6681.6 Ų81.640%0.446%0.463SS..SBendtrans-66.8-11.4175.8178.10000111.4L321 C322 D323L321-V326 HydrophobicContact CB-CG2 4.28Å; C322-V326 WeakPolarHBondContact O-CG2 3.28Å; C322-V326 PolarHBondContact O-N 2.86Å; D323-V326 PolarHBondContact O-N 2.79Å
327N59Low80.7Confident109 Ų10978.8 Ų78.858%0.58346%0.456SS*.  trans-116.199.9-176.4-71.2-18.6000112.8D325D325-N327 PolarHBondContact O-N 3.09Å; D325-N327 VanDerWaalsContact O-N 3.14Å
328V53.9Low80.7Confident111 Ų11183 Ų8367%0.67348%0.475SS*.  -146.385.385.6-94.90000106.1N330V328-N330 PolarHBondContact O-N 2.85Å
329N55.5Low80.7Confident101 Ų10179.6 Ų79.654%0.5446%0.464SS..  trans-66.472.9158.7-66.4-24.2000107.1M331 V332N329-M331 HydrophobicContact CB-CB 4.17Å; N329-M331 PolarHBondContact O-N 2.88Å; N329-V332 PolarHBondContact O-N 3.25Å
330N63.2Low80.7Confident83 Ų8380.1 Ų80.144%0.44447%0.47SS..THydrogen-bonded Turntrans-53.7-8.2163.1-70.1-27.8000110.1V328 V332 P333 I334V328-N330 PolarHBondContact O-N 2.85Å; N330-V332 PolarHBondContact O-N 3.19Å; N330-P333 VanDerWaalsContact O-CD 3.28Å; N330-P333 WeakPolarHBondContact O-CD 3.24Å; N330-I334 HydrophobicContact CB-CD1 3.51Å; N330-I334 HydrophobicContact CB-CG1 4.08Å; N330-I334 WeakPolarHBondContact O-CB 3.46Å; N330-I334 WeakPolarHBondContact O-CD1 3.43Å; N330-I334 WeakPolarHBondContact O-CG1 3.41Å; N330-I334 PolarHBondContact O-N 2.92Å
331M73.4Confident80.8Confident137 Ų13783.1 Ų83.168%0.67548%0.483SS*.Hα-helixtrans-41.2-41.4167.4-165.5165.878.600114N329 G335N329-M331 HydrophobicContact CB-CB 4.17Å; N329-M331 PolarHBondContact O-N 2.88Å; M331-G335 WeakPolarHBondContact O-CA 3.38Å; M331-G335 PolarHBondContact O-N 3.4Å
332V80.2Confident81Confident103 Ų10382.6 Ų82.662%0.62448%0.483SS*.Hα-helixtrans-70.4-57.4178.2176.20000111.3N329 N330 I334 G335 V336N329-V332 PolarHBondContact O-N 3.25Å; N330-V332 PolarHBondContact O-N 3.19Å; V332-I334 VanDerWaalsContact C-N 3.29Å; V332-I334 PolarHBondContact O-N 3.45Å; V332-G335 PolarHBondContact O-N 3.46Å; V332-V336 WeakPolarHBondContact O-CG2 3.43Å; V332-V336 PolarHBondContact O-N 2.88Å
333P84.8Confident81.2Confident86 Ų8686.4 Ų86.456%0.55851%0.509SS*.Hα-helixtrans-55.8-39173-2631.4000114.4N330 G337N330-P333 VanDerWaalsContact O-CD 3.28Å; N330-P333 WeakPolarHBondContact O-CD 3.24Å; P333-G337 PolarHBondContact O-N 2.69Å
334I81.9Confident81.7Confident96 Ų9684.5 Ų84.549%0.49250%0.498SS..Hα-helixtrans-66.5-44.8178.4-68.6166.7000109.9N330 V332 G337 I338N330-I334 HydrophobicContact CB-CD1 3.51Å; N330-I334 HydrophobicContact CB-CG1 4.08Å; N330-I334 WeakPolarHBondContact O-CB 3.46Å; N330-I334 WeakPolarHBondContact O-CD1 3.43Å; N330-I334 WeakPolarHBondContact O-CG1 3.41Å; N330-I334 PolarHBondContact O-N 2.92Å; V332-I334 VanDerWaalsContact C-N 3.29Å; V332-I334 PolarHBondContact O-N 3.45Å; I334-G337 PolarHBondContact O-N 3.26Å; I334-I338 HydrophobicContact CG2-CD1 3.87Å; I334-I338 WeakPolarHBondContact O-CG1 3.47Å; I334-I338 PolarHBondContact O-N 3.5Å
335G86Confident82.6Confident36 Ų3685.5 Ų85.537%0.37150%0.501SS..Hα-helixtrans-61.8-45.6177.200000112M331 V332 G337 I338 A339M331-G335 WeakPolarHBondContact O-CA 3.38Å; M331-G335 PolarHBondContact O-N 3.4Å; V332-G335 PolarHBondContact O-N 3.46Å; G335-G337 VanDerWaalsContact C-N 3.32Å; G335-G337 PolarHBondContact O-N 2.91Å; G335-I338 PolarHBondContact O-N 2.97Å; G335-A339 WeakPolarHBondContact O-CB 3.22Å; G335-A339 PolarHBondContact O-N 3.39Å
336V91.4Very high83.4Confident83 Ų8385 Ų8550%0.50350%0.5SS..Hα-helixtrans-62.1-41.4174.1175.90000110.9V332 A339 L340V332-V336 WeakPolarHBondContact O-CG2 3.43Å; V332-V336 PolarHBondContact O-N 2.88Å; V336-A339 PolarHBondContact O-N 3.25Å; V336-L340 HydrophobicContact CG1-CD1 4.33Å; V336-L340 WeakPolarHBondContact O-CG 3.05Å; V336-L340 PolarHBondContact O-N 2.84Å
337G93.1Very high84.6Confident31 Ų3184.8 Ų84.832%0.3250%0.504SS..Hα-helixtrans-59.6-47176.500000112.9P333 I334 G335 L340 I341P333-G337 PolarHBondContact O-N 2.69Å; I334-G337 PolarHBondContact O-N 3.26Å; G335-G337 VanDerWaalsContact C-N 3.32Å; G335-G337 PolarHBondContact O-N 2.91Å; G337-L340 PolarHBondContact O-N 3.42Å; G337-I341 WeakPolarHBondContact O-CG1 3.48Å; G337-I341 PolarHBondContact O-N 2.94Å
338I94.3Very high86.4Confident101 Ų10183.9 Ų83.952%0.51850%0.499SS..Hα-helixtrans-65.7-43.9178.6-66167.2000110.8I334 G335 L340 I341 V342I334-I338 HydrophobicContact CG2-CD1 3.87Å; I334-I338 WeakPolarHBondContact O-CG1 3.47Å; I334-I338 PolarHBondContact O-N 3.5Å; G335-I338 PolarHBondContact O-N 2.97Å; I338-L340 VanDerWaalsContact C-N 3.32Å; I338-L340 PolarHBondContact O-N 3.4Å; I338-I341 PolarHBondContact O-N 2.96Å; I338-V342 HydrophobicContact CG2-CG2 4.45Å; I338-V342 WeakPolarHBondContact O-CG2 3.27Å; I338-V342 PolarHBondContact O-N 3.44Å
339A94Very high88.4Confident53 Ų5382.2 Ų82.244%0.43849%0.489SS..Hα-helixtrans-59.8-41.8178.200000112.1G335 V336 V342 C343G335-A339 WeakPolarHBondContact O-CB 3.22Å; G335-A339 PolarHBondContact O-N 3.39Å; V336-A339 PolarHBondContact O-N 3.25Å; A339-V342 PolarHBondContact O-N 3.44Å; A339-C343 WeakPolarHBondContact O-CB 3.27Å; A339-C343 PolarHBondContact O-N 3.39Å; A339-C343 PolarHBondContact O-SG 3.16Å; A339-C343 VanDerWaalsContact O-SG 3.34Å
340L95.1Very high90.2Very high106 Ų10679.8 Ų79.856%0.55548%0.478SS*.Hα-helixtrans-63.2-42175.6-74178.5000112.4V336 G337 I338 C343 I344V336-L340 HydrophobicContact CG1-CD1 4.33Å; V336-L340 WeakPolarHBondContact O-CG 3.05Å; V336-L340 PolarHBondContact O-N 2.84Å; G337-L340 PolarHBondContact O-N 3.42Å; I338-L340 VanDerWaalsContact C-N 3.32Å; I338-L340 PolarHBondContact O-N 3.4Å; L340-C343 PolarHBondContact O-N 2.88Å; L340-I344 WeakPolarHBondContact O-CD1 3.4Å; L340-I344 VanDerWaalsContact O-CG1 3.24Å; L340-I344 WeakPolarHBondContact O-CG1 3.47Å; L340-I344 PolarHBondContact O-N 2.95Å
341I95.8Very high91.7Very high108 Ų10882.3 Ų82.355%0.55449%0.485SS*.Hα-helixtrans-62.3-45.6177.4-67.7167.9000110.7G337 I338 C343 I344 V345G337-I341 WeakPolarHBondContact O-CG1 3.48Å; G337-I341 PolarHBondContact O-N 2.94Å; I338-I341 PolarHBondContact O-N 2.96Å; I341-C343 PolarHBondContact O-N 3.38Å; I341-I344 PolarHBondContact O-N 3.47Å; I341-V345 HydrophobicContact CG2-CG2 4.42Å; I341-V345 WeakPolarHBondContact O-CG2 3.31Å; I341-V345 PolarHBondContact O-N 3.19Å
342V96.1Very high92.6Very high77 Ų7780.7 Ų80.747%0.46748%0.478SS..Hα-helixtrans-61.5-45.7178174.60000110.8I338 A339 I344 V345 V346I338-V342 HydrophobicContact CG2-CG2 4.45Å; I338-V342 WeakPolarHBondContact O-CG2 3.27Å; I338-V342 PolarHBondContact O-N 3.44Å; A339-V342 PolarHBondContact O-N 3.44Å; V342-I344 VanDerWaalsContact C-N 3.32Å; V342-I344 PolarHBondContact O-N 3.03Å; V342-V345 PolarHBondContact O-N 3.41Å; V342-V346 HydrophobicContact CG1-CG2 4.37Å; V342-V346 WeakPolarHBondContact O-CB 3.29Å; V342-V346 VanDerWaalsContact O-CG2 3.29Å; V342-V346 WeakPolarHBondContact O-CG2 3.49Å; V342-V346 PolarHBondContact O-N 3.39Å
343C95.7Very high93.1Very high84 Ų8479.2 Ų79.257%0.56847%0.469SS*.Hα-helixtrans-58.4-42.1175.8-75.50000112.5A339 L340 I341 V346 A347A339-C343 WeakPolarHBondContact O-CB 3.27Å; A339-C343 PolarHBondContact O-N 3.39Å; A339-C343 PolarHBondContact O-SG 3.16Å; A339-C343 VanDerWaalsContact O-SG 3.34Å; L340-C343 PolarHBondContact O-N 2.88Å; I341-C343 PolarHBondContact O-N 3.38Å; C343-V346 PolarHBondContact O-N 2.9Å; C343-A347 VanDerWaalsContact O-CB 3.31Å; C343-A347 WeakPolarHBondContact O-CB 3.32Å; C343-A347 PolarHBondContact O-N 3.49Å
344I96.6Very high93.3Very high97 Ų9781.9 Ų81.950%0.49747%0.472SS..Hα-helixtrans-64.8-46.8177.2-69.4164.6000110.9L340 I341 V342 V346 A347 I348L340-I344 WeakPolarHBondContact O-CD1 3.4Å; L340-I344 VanDerWaalsContact O-CG1 3.24Å; L340-I344 WeakPolarHBondContact O-CG1 3.47Å; L340-I344 PolarHBondContact O-N 2.95Å; I341-I344 PolarHBondContact O-N 3.47Å; V342-I344 VanDerWaalsContact C-N 3.32Å; V342-I344 PolarHBondContact O-N 3.03Å; I344-V346 VanDerWaalsContact C-N 3.32Å; I344-V346 PolarHBondContact O-N 2.88Å; I344-A347 PolarHBondContact O-N 2.92Å; I344-I348 HydrophobicContact CG2-CD1 3.66Å; I344-I348 HydrophobicContact CG2-CG1 4.33Å; I344-I348 WeakPolarHBondContact O-CB 2.99Å; I344-I348 VanDerWaalsContact O-CG1 3.27Å; I344-I348 WeakPolarHBondContact O-CG1 3.35Å; I344-I348 PolarHBondContact O-N 2.93Å
345V96.5Very high93.6Very high81 Ų8180.5 Ų80.549%0.49147%0.465SS..Hα-helixtrans-61-42.8179171.60000111I341 V342 I348 T349I341-V345 HydrophobicContact CG2-CG2 4.42Å; I341-V345 WeakPolarHBondContact O-CG2 3.31Å; I341-V345 PolarHBondContact O-N 3.19Å; V342-V345 PolarHBondContact O-N 3.41Å; V345-I348 PolarHBondContact O-N 3.47Å; V345-T349 WeakPolarHBondContact O-CB 3.36Å; V345-T349 PolarHBondContact O-N 2.94Å; V345-T349 PolarHBondContact O-OG1 3Å
346V95.4Very high93.6Very high37 Ų3785.3 Ų85.322%0.22448%0.476CS..Hα-helixtrans-63.9-47.3176.3172.10000110.8F13 V342 C343 I344 I348 T349 V350F13-V346 HydrophobicContact CE1-CG1 4.07Å; F13-V346 HydrophobicContact CE2-CG1 3.85Å; F13-V346 HydrophobicContact CZ-CG1 3.29Å; V342-V346 HydrophobicContact CG1-CG2 4.37Å; V342-V346 WeakPolarHBondContact O-CB 3.29Å; V342-V346 VanDerWaalsContact O-CG2 3.29Å; V342-V346 WeakPolarHBondContact O-CG2 3.49Å; V342-V346 PolarHBondContact O-N 3.39Å; C343-V346 PolarHBondContact O-N 2.9Å; I344-V346 VanDerWaalsContact C-N 3.32Å; I344-V346 PolarHBondContact O-N 2.88Å; V346-I348 VanDerWaalsContact C-N 3.34Å; V346-I348 PolarHBondContact O-N 3.38Å; V346-T349 PolarHBondContact O-N 3.47Å; V346-V350 HydrophobicContact CG1-CG2 4.42Å; V346-V350 VanDerWaalsContact O-CG2 3.31Å; V346-V350 WeakPolarHBondContact O-CG2 3.3Å; V346-V350 PolarHBondContact O-N 3.44Å
347A95.7Very high93.2Very high60 Ų6089.7 Ų89.750%0.49648%0.484SS..Hα-helixtrans-59.3-43.3177.700000112.3C343 I344 V350 F351C343-A347 VanDerWaalsContact O-CB 3.31Å; C343-A347 WeakPolarHBondContact O-CB 3.32Å; C343-A347 PolarHBondContact O-N 3.49Å; I344-A347 PolarHBondContact O-N 2.92Å; A347-V350 PolarHBondContact O-N 2.91Å; A347-F351 VanDerWaalsContact O-CB 3.3Å; A347-F351 WeakPolarHBondContact O-CB 3.38Å; A347-F351 PolarHBondContact O-N 3.39Å
348I96.5Very high92.4Very high90 Ų9092.4 Ų92.446%0.46249%0.491SS..Hα-helixtrans-63.1-45.5175.6-69.4169.4000110.7I344 V345 V346 V350 F351 I352I344-I348 HydrophobicContact CG2-CD1 3.66Å; I344-I348 HydrophobicContact CG2-CG1 4.33Å; I344-I348 WeakPolarHBondContact O-CB 2.99Å; I344-I348 VanDerWaalsContact O-CG1 3.27Å; I344-I348 WeakPolarHBondContact O-CG1 3.35Å; I344-I348 PolarHBondContact O-N 2.93Å; V345-I348 PolarHBondContact O-N 3.47Å; V346-I348 VanDerWaalsContact C-N 3.34Å; V346-I348 PolarHBondContact O-N 3.38Å; I348-V350 VanDerWaalsContact C-N 3.35Å; I348-V350 PolarHBondContact O-N 3.05Å; I348-F351 PolarHBondContact O-N 3.46Å; I348-I352 HydrophobicContact CG2-CD1 3.66Å; I348-I352 HydrophobicContact CG2-CG1 4.3Å; I348-I352 VanDerWaalsContact O-CG1 3.27Å; I348-I352 WeakPolarHBondContact O-CG1 3.27Å; I348-I352 PolarHBondContact O-N 3.02Å
349T94.7Very high91.4Very high77 Ų7797.4 Ų97.447%0.47250%0.503SS..Hα-helixtrans-62-44.7-179.4-53.30000110.9V345 V346 I352 V353V345-T349 WeakPolarHBondContact O-CB 3.36Å; V345-T349 PolarHBondContact O-N 2.94Å; V345-T349 PolarHBondContact O-OG1 3Å; V346-T349 PolarHBondContact O-N 3.47Å; T349-I352 PolarHBondContact O-N 3.25Å; T349-V353 VanDerWaalsContact O-CG2 3.3Å; T349-V353 WeakPolarHBondContact O-CG2 3.33Å; T349-V353 PolarHBondContact O-N 3.42Å
350V94.4Very high90.2Very high50 Ų50103.8 Ų103.830%0.30352%0.516SS..Hα-helixtrans-61.6-47.5174.9172.60000110.6F13 V346 A347 I348 I352 V353 F354F13-V350 HydrophobicContact CE2-CG2 4.47Å; V346-V350 HydrophobicContact CG1-CG2 4.42Å; V346-V350 VanDerWaalsContact O-CG2 3.31Å; V346-V350 WeakPolarHBondContact O-CG2 3.3Å; V346-V350 PolarHBondContact O-N 3.44Å; A347-V350 PolarHBondContact O-N 2.91Å; I348-V350 VanDerWaalsContact C-N 3.35Å; I348-V350 PolarHBondContact O-N 3.05Å; V350-I352 VanDerWaalsContact C-N 3.35Å; V350-I352 PolarHBondContact O-N 3.21Å; V350-V353 PolarHBondContact O-N 3.17Å; V350-F354 HydrophobicContact CG1-CD2 3.53Å; V350-F354 HydrophobicContact CG1-CE2 3.66Å; V350-F354 WeakPolarHBondContact O-CD2 3.3Å; V350-F354 PolarHBondContact O-N 2.92Å
351F93.8Very high88.6Confident136 Ų136102.5 Ų102.560%0.59652%0.516SS*.Hα-helixtrans-58.3-43.6177.8-179.6-104.9000112.6A347 I348 F354 N355A347-F351 VanDerWaalsContact O-CB 3.3Å; A347-F351 WeakPolarHBondContact O-CB 3.38Å; A347-F351 PolarHBondContact O-N 3.39Å; I348-F351 PolarHBondContact O-N 3.46Å; F351-F354 PolarHBondContact O-N 3.31Å; F351-N355 WeakPolarHBondContact CD1-ND2 3.31Å; F351-N355 WeakPolarHBondContact CE1-ND2 3.47Å; F351-N355 WeakPolarHBondContact CE2-ND2 3.41Å; F351-N355 WeakPolarHBondContact CZ-ND2 3.3Å; F351-N355 WeakPolarHBondContact O-CB 3.5Å; F351-N355 PolarHBondContact O-N 3.22Å; F351-N355 PolarHBondContact O-ND2 3.06Å
352I92.9Very high87.1Confident103 Ų103105.4 Ų105.453%0.52852%0.521SS..Hα-helixtrans-62.8-44.3176.6-68.7168.5000110.8I348 T349 V350 K356I348-I352 HydrophobicContact CG2-CD1 3.66Å; I348-I352 HydrophobicContact CG2-CG1 4.3Å; I348-I352 VanDerWaalsContact O-CG1 3.27Å; I348-I352 WeakPolarHBondContact O-CG1 3.27Å; I348-I352 PolarHBondContact O-N 3.02Å; T349-I352 PolarHBondContact O-N 3.25Å; V350-I352 VanDerWaalsContact C-N 3.35Å; V350-I352 PolarHBondContact O-N 3.21Å; I352-K356 WeakPolarHBondContact O-CB 3.39Å; I352-K356 PolarHBondContact O-N 3.43Å
353V90.4Very high85.5Confident71 Ų71107.6 Ų107.643%0.4354%0.535SS..Hα-helixtrans-65.5-44.2179.2172.50000111.5I9 T349 V350 K356 R357I9-V353 HydrophobicContact CD1-CG1 4.34Å; T349-V353 VanDerWaalsContact O-CG2 3.3Å; T349-V353 WeakPolarHBondContact O-CG2 3.33Å; T349-V353 PolarHBondContact O-N 3.42Å; V350-V353 PolarHBondContact O-N 3.17Å; V353-K356 PolarHBondContact O-N 3.09Å; V353-R357 PolarHBondContact O-N 3.14Å; V353-R357 VanDerWaalsContact O-N 3.09Å
354F89.3Confident83.9Confident142 Ų142109.3 Ų109.362%0.62354%0.543SS*.Hα-helixtrans-62.9-45.9177-93-83.2000112.1V350 F351 K356 R357 N358V350-F354 HydrophobicContact CG1-CD2 3.53Å; V350-F354 HydrophobicContact CG1-CE2 3.66Å; V350-F354 WeakPolarHBondContact O-CD2 3.3Å; V350-F354 PolarHBondContact O-N 2.92Å; F351-F354 PolarHBondContact O-N 3.31Å; F354-K356 VanDerWaalsContact C-N 3.34Å; F354-K356 PolarHBondContact O-N 3.2Å; F354-R357 PolarHBondContact O-N 3.43Å; F354-N358 PolarHBondContact O-N 3.33Å
355N88.2Confident81.5Confident67 Ų67115.8 Ų115.836%0.35858%0.577SS.*Hα-helixtrans-64.3-37.7176.9-79.8-25.9000112.7F351 R357 N358 R359F351-N355 WeakPolarHBondContact CD1-ND2 3.31Å; F351-N355 WeakPolarHBondContact CE1-ND2 3.47Å; F351-N355 WeakPolarHBondContact CE2-ND2 3.41Å; F351-N355 WeakPolarHBondContact CZ-ND2 3.3Å; F351-N355 WeakPolarHBondContact O-CB 3.5Å; F351-N355 PolarHBondContact O-N 3.22Å; F351-N355 PolarHBondContact O-ND2 3.06Å; N355-R357 VanDerWaalsContact C-N 3.3Å; N355-R357 PolarHBondContact O-N 3.33Å; N355-N358 PolarHBondContact O-N 3.47Å; N355-R359 PolarHBondContact O-N 3.32Å
356K86Confident80.8Confident137 Ų137117.5 Ų117.560%0.59658%0.581SS**Hα-helixtrans-64.5-34.4175.7-171.5173.6-179.5174.70112I352 V353 F354I352-K356 WeakPolarHBondContact O-CB 3.39Å; I352-K356 PolarHBondContact O-N 3.43Å; V353-K356 PolarHBondContact O-N 3.09Å; F354-K356 VanDerWaalsContact C-N 3.34Å; F354-K356 PolarHBondContact O-N 3.2Å
357R82.1Confident80Confident176 Ų176121.7 Ų121.766%0.66460%0.6SS**Hα-helixtrans-69.9-42175-171.9174.1177.7168.6-3111.6V353 F354 N355 R359 R360V353-R357 PolarHBondContact O-N 3.14Å; V353-R357 VanDerWaalsContact O-N 3.09Å; F354-R357 PolarHBondContact O-N 3.43Å; N355-R357 VanDerWaalsContact C-N 3.3Å; N355-R357 PolarHBondContact O-N 3.33Å; R357-R359 VanDerWaalsContact C-N 3.33Å; R357-R359 PolarHBondContact O-N 3.15Å; R357-R360 PolarHBondContact O-N 2.99Å
358N76.2Confident79.1Confident87 Ų87125.2 Ų125.247%0.46561%0.606SS.*Hα-helixtrans-66.6-34.8-178-155.124.2000112.5F354 N355 R360 S361 Y362F354-N358 PolarHBondContact O-N 3.33Å; N355-N358 PolarHBondContact O-N 3.47Å; N358-R360 VanDerWaalsContact C-N 3.27Å; N358-R360 PolarHBondContact O-N 3.15Å; N358-S361 PolarHBondContact O-N 3.04Å; N358-Y362 VanDerWaalsContact O-CD2 3.3Å; N358-Y362 WeakPolarHBondContact O-CD2 3.3Å
359R74Confident78.1Confident206 Ų206127.2 Ų127.278%0.77761%0.614SS**Hα-helixtrans-64.4-27.7175.4-72.7-170.4179.7-165.40.7114.1N355 R357 S361N355-R359 PolarHBondContact O-N 3.32Å; R357-R359 VanDerWaalsContact C-N 3.33Å; R357-R359 PolarHBondContact O-N 3.15Å; R359-S361 PolarHBondContact O-N 3.43Å
360R68.1Low77.1Confident188 Ų188130.4 Ų130.471%0.70962%0.623SS**Hα-helixtrans-71.5-19.7178.3-71.4-177.9176.2178.6-3.1113.1R357 N358 Y362R357-R360 PolarHBondContact O-N 2.99Å; N358-R360 VanDerWaalsContact C-N 3.27Å; N358-R360 PolarHBondContact O-N 3.15Å; R360-Y362 VanDerWaalsContact C-N 3.34Å
361S63.2Low75.9Confident79 Ų79135.7 Ų135.755%0.55265%0.645SS**THydrogen-bonded Turntrans-80.3-12.8-178.9-59.40000113.9N358 R359N358-S361 PolarHBondContact O-N 3.04Å; R359-S361 PolarHBondContact O-N 3.43Å
362Y64.2Low74.6Confident169 Ų169135.7 Ų135.766%0.66365%0.648SS**THydrogen-bonded Turntrans-103.55.5-177-64.1-75.2000114.5N358 R360N358-Y362 VanDerWaalsContact O-CD2 3.3Å; N358-Y362 WeakPolarHBondContact O-CD2 3.3Å; R360-Y362 VanDerWaalsContact C-N 3.34Å
363T62.6Low73.2Confident122 Ų122138.2 Ų138.275%0.74866%0.657SS**SBendtrans-100.713.7177.9-38.80000113
364T60.4Low71.8Confident121 Ų121143.8 Ų143.874%0.74268%0.676SS**  trans-126.178.2171.450.60000109
365L47Very low70.2Confident232 Ų232144 Ų144100%1.21568%0.681SS**  trans-136.10162.8-108.3157.8000107.8

Retrieved 365 of 365 residues in 641.9 ms (Link to these results)