A0A096NW45_PAPAN Loading...

Exosomal polycystin 1 interacting protein

AlphaFold DB , UniProt , Accession A0A096NW45, Species PAPAN (Papio anubis, Olive baboon), Gene EPCIP, Length 266 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
1C35.5Very low30Very low187 Ų187152.5 Ų152.5100%1.26482%0.823SS**  0123.70-66.40000109.3
2R26.5Very low29.9Very low231 Ų231144.4 Ų144.487%0.87280%0.802SS**  trans-61142.9-175-80.3172.8166.4162.5-6.8112.7
3L27.7Very low29.8Very low181 Ų181138.6 Ų138.695%0.94878%0.778SS**  trans-111.7111.2153.7-112.2143.4000106.7
4N27.4Very low30.1Very low119 Ų119133.9 Ų133.964%0.63675%0.754SS**  trans-79.8133.5-177.7-83.2-13.8000110.9
5Q33Very low30.3Very low192 Ų192129.3 Ų129.390%0.89774%0.739SS**  trans-63.8139.3149.1-72.1167.4-51.400110.2
6L27.4Very low30.4Very low156 Ų156133.5 Ų133.582%0.81774%0.739SS**  trans-170.5135.4160.1-96.1158.5000106.1
7S28.3Very low30.3Very low81 Ų81133.9 Ų133.957%0.56673%0.734SS**  cis-167.9120.8-28.852.30000104.1Q9S7-Q9 PolarHBondContact O-N 3.38Å
8S31Very low30.4Very low131 Ų131135.6 Ų135.692%0.91673%0.728SS**  trans-80.366.8173.568.80000110.8
9Q31.9Very low30.4Very low173 Ų173131.4 Ų131.481%0.80871%0.71SS**  trans-132.187.2175-87.1179.3-27.500108.1S7S7-Q9 PolarHBondContact O-N 3.38Å
10G29.6Very low30.6Very low48 Ų48129.6 Ų129.650%0.49570%0.703SS.*SBendtrans-155-38.5178.700000114.9
11E31.4Very low30.6Very low178 Ų178128.5 Ų128.583%0.83269%0.694SS**Hα-helixtrans-94.5-27.6-171.6-69-178.913100114.3S13E11-S13 VanDerWaalsContact C-N 3.31Å; E11-S13 PolarHBondContact O-N 2.78Å
12G28.9Very low30.5Very low56 Ų56127 Ų12758%0.57766%0.662SS**Hα-helixtrans-68.4-27.2177.800000114.1R16G12-R16 PolarHBondContact O-N 3.38Å
13S28.3Very low30.9Very low69 Ų69124.3 Ų124.348%0.48365%0.651SS.*Hα-helixtrans-79.4-38.1-176.8-50.80000112E11 R16 Q17E11-S13 VanDerWaalsContact C-N 3.31Å; E11-S13 PolarHBondContact O-N 2.78Å; S13-R16 PolarHBondContact O-N 2.9Å; S13-Q17 PolarHBondContact O-N 3.26Å; S13-Q17 PolarHBondContact O-OE1 2.98Å
14V33.9Very low31Very low73 Ų73117.6 Ų117.644%0.44263%0.626SS.*Hα-helixtrans-69.3-38.2179.6-178.50000111.5Q17 R18V14-Q17 PolarHBondContact O-N 3.46Å; V14-R18 WeakPolarHBondContact O-CG 3.21Å; V14-R18 PolarHBondContact O-N 2.8Å
15A33.4Very low31.3Very low64 Ų64116.7 Ų116.753%0.52962%0.616SS.*Hα-helixtrans-67.1-37.4174.700000112.5S19A15-S19 PolarHBondContact O-N 2.83Å; A15-S19 VanDerWaalsContact O-N 3.09Å
16R31.7Very low31.3Very low197 Ų197110.2 Ų110.274%0.74360%0.596SS**Hα-helixtrans-67.7-41.1174.4-121.4177-1701723.3112G12 S13 S19 V20G12-R16 PolarHBondContact O-N 3.38Å; S13-R16 PolarHBondContact O-N 2.9Å; R16-S19 PolarHBondContact O-N 3.3Å; R16-V20 WeakPolarHBondContact O-CG2 3.09Å; R16-V20 PolarHBondContact O-N 3.01Å; R16-V20 VanDerWaalsContact O-N 3.09Å
17Q28.8Very low31.6Very low140 Ų140105.9 Ų105.965%0.65458%0.579SS**Hα-helixtrans-64.6-40.1176.8-113.3143.5-40.100112.2S13 V14 V20 E21S13-Q17 PolarHBondContact O-N 3.26Å; S13-Q17 PolarHBondContact O-OE1 2.98Å; V14-Q17 PolarHBondContact O-N 3.46Å; Q17-V20 PolarHBondContact O-N 2.94Å; Q17-E21 PolarHBondContact O-N 3.43Å
18R32.2Very low31.7Very low164 Ų164110.7 Ų110.762%0.61958%0.584SS**Hα-helixtrans-63.6-42.7173.3-71.8179.3-174178.12.9111.9V14 V20 E21 W22V14-R18 WeakPolarHBondContact O-CG 3.21Å; V14-R18 PolarHBondContact O-N 2.8Å; R18-V20 VanDerWaalsContact C-N 3.31Å; R18-V20 PolarHBondContact O-N 3.25Å; R18-E21 PolarHBondContact O-N 3.46Å; R18-W22 PolarHBondContact O-N 2.84Å
19S31.4Very low32Very low56 Ų56112.9 Ų112.939%0.39257%0.573SS.*Hα-helixtrans-60.7-36.4176.1179.50000113.5A15 R16 R23A15-S19 PolarHBondContact O-N 2.83Å; A15-S19 VanDerWaalsContact O-N 3.09Å; R16-S19 PolarHBondContact O-N 3.3Å; S19-R23 PolarHBondContact O-N 2.86Å; S19-R23 PolarHBondContact OG-NH2 3.05Å
20V33Very low32.1Very low95 Ų95110 Ų11058%0.57656%0.563SS**Hα-helixtrans-74.3-38.5177.7176.50000111.3R16 Q17 R18 W22 R23 G24R16-V20 WeakPolarHBondContact O-CG2 3.09Å; R16-V20 PolarHBondContact O-N 3.01Å; R16-V20 VanDerWaalsContact O-N 3.09Å; Q17-V20 PolarHBondContact O-N 2.94Å; R18-V20 VanDerWaalsContact C-N 3.31Å; R18-V20 PolarHBondContact O-N 3.25Å; V20-W22 VanDerWaalsContact C-N 3.34Å; V20-W22 PolarHBondContact O-N 2.68Å; V20-R23 PolarHBondContact O-N 2.82Å; V20-G24 PolarHBondContact O-N 3.42Å
21E30.5Very low32.2Very low107 Ų107111.3 Ų111.350%0.556%0.564SS.*Hα-helixtrans-63.1-39.1175.1-166-176.7161.600112.1Q17 R18 G24 K25Q17-E21 PolarHBondContact O-N 3.43Å; R18-E21 PolarHBondContact O-N 3.46Å; E21-G24 PolarHBondContact O-N 3.07Å; E21-K25 PolarHBondContact O-N 2.92Å; E21-K25 VanDerWaalsContact OE1-CE 3.28Å; E21-K25 WeakPolarHBondContact OE1-CE 3.31Å; E21-K25 IonicContact OE1-NZ 2.7Å; E21-K25 PolarHBondContact OE1-NZ 3.33Å
22W33.8Very low32.2Very low157 Ų157108.3 Ų108.360%0.59555%0.55SS**Hα-helixtrans-66.5-37.7174.5-77.4111.1000113R18 V20 G24 K25 A26R18-W22 PolarHBondContact O-N 2.84Å; V20-W22 VanDerWaalsContact C-N 3.34Å; V20-W22 PolarHBondContact O-N 2.68Å; W22-G24 VanDerWaalsContact C-N 3.3Å; W22-G24 PolarHBondContact O-N 2.94Å; W22-K25 PolarHBondContact O-N 3.36Å; W22-A26 VanDerWaalsContact O-CB 3.3Å; W22-A26 WeakPolarHBondContact O-CB 3.16Å; W22-A26 PolarHBondContact O-N 3.26Å
23R35.7Very low32.4Very low173 Ų173112.3 Ų112.365%0.65356%0.556SS**Hα-helixtrans-63.3-38.2173.6-124.6-177-66.8-114-1.9111.5S19 V20 S27S19-R23 PolarHBondContact O-N 2.86Å; S19-R23 PolarHBondContact OG-NH2 3.05Å; V20-R23 PolarHBondContact O-N 2.82Å; R23-S27 WeakPolarHBondContact O-CB 3.28Å; R23-S27 PolarHBondContact O-N 3.37Å; R23-S27 VanDerWaalsContact O-N 3.15Å; R23-S27 PolarHBondContact O-OG 2.82Å
24G29.8Very low32.7Very low40 Ų40113.9 Ų113.941%0.41256%0.562SS.*Hα-helixtrans-69.8-38.8176.200000114V20 E21 W22 S27 R28V20-G24 PolarHBondContact O-N 3.42Å; E21-G24 PolarHBondContact O-N 3.07Å; W22-G24 VanDerWaalsContact C-N 3.3Å; W22-G24 PolarHBondContact O-N 2.94Å; G24-S27 WeakPolarHBondContact CA-OG 3.24Å; G24-S27 PolarHBondContact O-OG 2.79Å; G24-S27 VanDerWaalsContact O-OG 3.1Å; G24-R28 PolarHBondContact O-N 2.8Å
25K34.3Very low32.5Very low101 Ų101114.4 Ų114.444%0.43957%0.574SS.*Hα-helixtrans-72.2-43.9176.2-72.3179-173.41680111.5E21 W22 S27 R28 W29E21-K25 PolarHBondContact O-N 2.92Å; E21-K25 VanDerWaalsContact OE1-CE 3.28Å; E21-K25 WeakPolarHBondContact OE1-CE 3.31Å; E21-K25 IonicContact OE1-NZ 2.7Å; E21-K25 PolarHBondContact OE1-NZ 3.33Å; W22-K25 PolarHBondContact O-N 3.36Å; K25-S27 VanDerWaalsContact C-N 3.31Å; K25-S27 PolarHBondContact O-N 2.95Å; K25-R28 WeakPolarHBondContact O-CB 3.08Å; K25-R28 PolarHBondContact O-N 3.46Å; K25-W29 PolarHBondContact O-N 3.3Å; K25-W29 VanDerWaalsContact O-N 3.15Å
26A32.7Very low32.4Very low56 Ų56116.9 Ų116.946%0.46359%0.586SS.*Hα-helixtrans-62.9-34.4177.100000113.3W22 N30W22-A26 VanDerWaalsContact O-CB 3.3Å; W22-A26 WeakPolarHBondContact O-CB 3.16Å; W22-A26 PolarHBondContact O-N 3.26Å; A26-N30 PolarHBondContact O-N 3.35Å
27S33.5Very low32.4Very low65 Ų65117.7 Ų117.746%0.45559%0.589SS.*Hα-helixtrans-72.6-3517540.60000112.9R23 G24 K25 W29 N30 S31R23-S27 WeakPolarHBondContact O-CB 3.28Å; R23-S27 PolarHBondContact O-N 3.37Å; R23-S27 VanDerWaalsContact O-N 3.15Å; R23-S27 PolarHBondContact O-OG 2.82Å; G24-S27 WeakPolarHBondContact CA-OG 3.24Å; G24-S27 PolarHBondContact O-OG 2.79Å; G24-S27 VanDerWaalsContact O-OG 3.1Å; K25-S27 VanDerWaalsContact C-N 3.31Å; K25-S27 PolarHBondContact O-N 2.95Å; S27-W29 PolarHBondContact O-N 2.81Å; S27-N30 PolarHBondContact O-N 2.92Å; S27-S31 PolarHBondContact O-N 3.31Å; S27-S31 PolarHBondContact O-OG 2.85Å
28R29.7Very low32.5Very low181 Ų181119.6 Ų119.668%0.68360%0.598SS**Hα-helixtrans-60.5-41.6171.4-171-179.7-74.7-169.2-3.9112.1G24 K25 S31 E32G24-R28 PolarHBondContact O-N 2.8Å; K25-R28 WeakPolarHBondContact O-CB 3.08Å; K25-R28 PolarHBondContact O-N 3.46Å; R28-S31 WeakPolarHBondContact CA-OG 3.08Å; R28-S31 PolarHBondContact O-N 3.33Å; R28-S31 PolarHBondContact O-OG 2.82Å; R28-E32 PolarHBondContact O-N 2.89Å
29W37.3Very low32.4Very low178 Ų178120.4 Ų120.467%0.67461%0.609SS**Hα-helixtrans-66.3-35.4174.9-74.8105.3000113.5K25 S27 E32 M33K25-W29 PolarHBondContact O-N 3.3Å; K25-W29 VanDerWaalsContact O-N 3.15Å; S27-W29 PolarHBondContact O-N 2.81Å; W29-E32 PolarHBondContact O-N 2.9Å; W29-M33 WeakPolarHBondContact O-CG 3.47Å; W29-M33 PolarHBondContact O-N 3.12Å; W29-M33 VanDerWaalsContact O-N 3.16Å
30N34.5Very low32.3Very low112 Ų112128 Ų12860%0.59963%0.634SS**Hα-helixtrans-67.2-35.8176.1-84.8-13.7000113A26 S27 M33 T34A26-N30 PolarHBondContact O-N 3.35Å; S27-N30 PolarHBondContact O-N 2.92Å; N30-M33 PolarHBondContact O-N 3.35Å; N30-T34 PolarHBondContact O-N 2Å; N30-T34 PolarHBondContact O-OG1 3.25Å
31S30.7Very low32Very low75 Ų75129.2 Ų129.252%0.52465%0.647SS.*Hα-helixtrans-68.8-36.7176.5340000113.2S27 R28 T34S27-S31 PolarHBondContact O-N 3.31Å; S27-S31 PolarHBondContact O-OG 2.85Å; R28-S31 WeakPolarHBondContact CA-OG 3.08Å; R28-S31 PolarHBondContact O-N 3.33Å; R28-S31 PolarHBondContact O-OG 2.82Å; S31-T34 PolarHBondContact O-N 2.98Å
32E33.4Very low31.8Very low116 Ų116127 Ų12754%0.54265%0.653SS.*Hα-helixtrans-71.3-32174.8-75176.7172.400112.2R28 W29 T34 A35R28-E32 PolarHBondContact O-N 2.89Å; W29-E32 PolarHBondContact O-N 2.9Å; E32-T34 VanDerWaalsContact C-N 3.35Å; E32-T34 PolarHBondContact O-N 2.81Å; E32-A35 PolarHBondContact O-N 3.03Å
33M32.1Very low31.6Very low140 Ų140130.6 Ų130.669%0.6967%0.667SS**Hα-helixtrans-70.2-24.7175.8-78.8-95.8-122.900114.3W29 N30 A35W29-M33 WeakPolarHBondContact O-CG 3.47Å; W29-M33 PolarHBondContact O-N 3.12Å; W29-M33 VanDerWaalsContact O-N 3.16Å; N30-M33 PolarHBondContact O-N 3.35Å; M33-A35 VanDerWaalsContact C-N 3.3Å
34T34.5Very low31.2Very low102 Ų102129.2 Ų129.263%0.62668%0.678SS**Hα-helixtrans-74.2-26177.9-44.30000111.3N30 S31 E32N30-T34 PolarHBondContact O-N 2Å; N30-T34 PolarHBondContact O-OG1 3.25Å; S31-T34 PolarHBondContact O-N 2.98Å; E32-T34 VanDerWaalsContact C-N 3.35Å; E32-T34 PolarHBondContact O-N 2.81Å
35A29.8Very low31Very low84 Ų84137.7 Ų137.769%0.69470%0.699SS**Hα-helixtrans-73.6-24.5178.300000113.6E32 M33 R37E32-A35 PolarHBondContact O-N 3.03Å; M33-A35 VanDerWaalsContact C-N 3.3Å; A35-R37 VanDerWaalsContact C-N 3.28Å; A35-R37 PolarHBondContact O-N 3.49Å
36C30.6Very low30.5Very low115 Ų115144.4 Ų144.478%0.77772%0.722SS**THydrogen-bonded Turntrans-81.82.8179-73.20000114.4
37R31.9Very low30.3Very low214 Ų214153.6 Ų153.681%0.80874%0.744SS**THydrogen-bonded Turntrans-90.80.6-172.6-121.9-175.7-154-166.46.5116.5A35A35-R37 VanDerWaalsContact C-N 3.28Å; A35-R37 PolarHBondContact O-N 3.49Å
38H32Very low29.9Very low180 Ų180159 Ų15983%0.83376%0.763SS**SBendtrans-124.258.6178.7-78.2-65.2000113.2
39Q29.7Very low29.7Very low182 Ų182155.6 Ų155.685%0.8576%0.763SS**  trans-160.890.5155.1-124.3162-5.500111.7
40K28.3Very low29.1Very low214 Ų214153.7 Ų153.793%0.9378%0.776SS**  -166.7124.9129.9-105.1165.1-173.5-179.80112
41S27.7Very low28.9Very low121 Ų121154.1 Ų154.185%0.84678%0.783SS**  trans-67137.7-179.6169.40000112.8
42G26.8Very low28.7Very low61 Ų61158.2 Ų158.263%0.62979%0.794SS**  trans33.4112.614100000120.3
43R28.2Very low28.5Very low232 Ų232160.3 Ų160.388%0.87581%0.808SS**  trans-163.9120.7133.8-104166.6-154.2-178.25.4110.2
44T27.6Very low28.3Very low144 Ų144164 Ų16488%0.88381%0.814SS**  trans-65.7127.3173.616.80000110.8
45Y26.5Very low28Very low218 Ų218165 Ų16586%0.85582%0.82SS**  trans-127.9128.3159.8-90.4-85000109.8
46R24.1Very low27.9Very low243 Ų243166.5 Ų166.592%0.91782%0.824SS**  trans-53.3135.6178.9-91177.4171.7169-3111.1
47R27.7Very low28Very low248 Ų248168.4 Ų168.494%0.93683%0.826SS**  trans-66.5132.7162.7-71.8-178.1-178.5-178.40.1109.6
48Q25.9Very low28.2Very low180 Ų180165.3 Ų165.384%0.84183%0.826SS**  trans-129.6128.1163.4-143164.3-7.600107.2
49P25.4Very low28.3Very low108 Ų108163.8 Ų163.870%0.70182%0.824SS**  trans-82.1132-17530-30.6000111.2T51P49-T51 PolarHBondContact O-N 3.12Å; P49-T51 VanDerWaalsContact O-N 3.15Å
50C24.8Very low28.6Very low139 Ų139160.5 Ų160.594%0.93982%0.821SS**  trans-78.692.1165.9-67.90000109.3
51T28.8Very low28.9Very low120 Ų120154.7 Ų154.774%0.73681%0.813SS**  trans-84.4104.3156.3350000109.1P49P49-T51 PolarHBondContact O-N 3.12Å; P49-T51 VanDerWaalsContact O-N 3.15Å
52E27Very low29.5Very low162 Ų162157.4 Ų157.476%0.75782%0.817SS**  trans-13277.4151.9-88.1-161.313700108.4
53L29.2Very low30.2Very low160 Ų160158 Ų15884%0.83882%0.823SS**  trans-77.1110150.6-100.9106.9000106.6
54R27.7Very low30.8Very low218 Ų218153.9 Ų153.982%0.82382%0.823SS**  trans-90110.4157.9-78.4-169-171.4-172.43.3108.5
55T28.4Very low31.3Very low121 Ų121156.6 Ų156.674%0.74282%0.823SS**  trans-58.5129.1173.743.30000112
56C28.7Very low31.7Very low116 Ų116150.9 Ų150.978%0.78482%0.821SS**  trans-76.7118.4158.4-70.40000108.2N58C56-N58 PolarHBondContact O-N 3.09Å
57N31.8Very low32.7Very low155 Ų155146.9 Ų146.983%0.82982%0.817SS**  trans-77.2115.9179.2-148.815.5000109
58N36.3Very low33.1Very low149 Ų149141.6 Ų141.680%0.79781%0.807SS**  trans-89.9122.6170.4-92-13.8000108.6C56C56-N58 PolarHBondContact O-N 3.09Å
59N34.3Very low33.6Very low149 Ų149138.5 Ų138.580%0.79780%0.804SS**  trans-142.2108.5151.8-98.1-13.3000110.7
60S35Very low34.3Very low112 Ų112142.8 Ų142.878%0.78381%0.812SS**  trans57.9124.1144.359.40000122.7
61A35.1Very low35.1Very low92 Ų92141.2 Ų141.276%0.7680%0.798SS**  trans100.5103.4136.600000119.1
62L40.1Very low35.5Very low179 Ų179147.4 Ų147.494%0.93781%0.808SS**  trans58.9109.5146.7-68165.1000119.7
63G42.3Very low36.3Very low72 Ų72143 Ų14374%0.74281%0.806SS**  trans90.3131.9144.200000115.7
64V40.5Very low37.3Very low146 Ų146138.9 Ų138.989%0.88578%0.782SS**  trans93.3112.7175.7-166.50000114.3A66V64-A66 PolarHBondContact O-N 3.16Å
65F38Very low38.7Very low202 Ų202136.2 Ų136.289%0.88678%0.776SS**  trans-54.2105.4173.8-70.9-92.2000111.1L67F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 3.18Å
66A35.5Very low40.4Very low97 Ų97136.3 Ų136.380%0.80277%0.772SS**  trans-80.377.1174.400000111.1V64 N68V64-A66 PolarHBondContact O-N 3.16Å; A66-N68 PolarHBondContact O-N 2.85Å; A66-N68 VanDerWaalsContact O-N 3.09Å
67L43.5Very low42.7Very low159 Ų159131.5 Ų131.583%0.83274%0.74SS**  trans-74.672.7159.1-83.8158.3000108.8F65F65-L67 VanDerWaalsContact C-N 3.33Å; F65-L67 PolarHBondContact O-N 3.18Å
68N36.2Very low45.3Very low138 Ų138125.5 Ų125.574%0.73871%0.709SS**  trans-153.653.5179.4-93.7-34.2000114A66A66-N68 PolarHBondContact O-N 2.85Å; A66-N68 VanDerWaalsContact O-N 3.09Å
69C36Very low47.7Very low114 Ų114118.6 Ų118.677%0.7767%0.672SS**SBendtrans-129.527.8170.4-115.90000114.9
70F41.9Very low50.3Low199 Ų199111.5 Ų111.587%0.87363%0.634SS**  trans-140.864.7170.6-81.4-79000112
71T40.8Very low52.9Low105 Ų105106.4 Ų106.464%0.64460%0.598SS**  trans-133.762.9164.153.60000110.1G73T71-G73 PolarHBondContact O-N 3.04Å
72R38Very low55Low251 Ų251102.3 Ų102.395%0.94756%0.564SS**SBendtrans-68.886.2158.8-170.3177.8-173.9-178.72.2107.4Q74R72-Q74 PolarHBondContact O-N 3.35Å
73G43Very low56.6Low69 Ų6998.3 Ų98.371%0.71154%0.539SS*.  trans31.478.6168.900000115.3T71 K75T71-G73 PolarHBondContact O-N 3.04Å; G73-K75 PolarHBondContact O-N 3.14Å; G73-K75 VanDerWaalsContact O-N 3.14Å
74Q49.3Very low57.9Low73 Ų73102.6 Ų102.634%0.34154%0.539SS..  trans-72.2110.4-178-93.5170.1-30.400110.7R72 S93 A94 D95R72-Q74 PolarHBondContact O-N 3.35Å; Q74-S93 WeakPolarHBondContact CB-O 3.33Å; Q74-S93 PolarHBondContact OE1-O 2.7Å; Q74-A94 VanDerWaalsContact OE1-CA 3.27Å; Q74-D95 PolarHBondContact NE2-OD2 3.13Å
75K57.4Low59.2Low162 Ų162102.7 Ų102.770%0.70454%0.535SS*.  trans-60.6137.7159.1-66.6174.1179.4175.20107.3G73 S77G73-K75 PolarHBondContact O-N 3.14Å; G73-K75 VanDerWaalsContact O-N 3.14Å; K75-S77 PolarHBondContact O-N 3.31Å
76N65.5Low61.2Low123 Ų12395.9 Ų95.966%0.65851%0.51SS*.  trans-47.1108.4172.4-65.4-22.5000109.6
77S75.9Confident63.7Low15 Ų1591.4 Ų91.411%0.10547%0.473CS..EExtended strand (participates in β ladder)trans-80.2137.3177.658.40000108.4K75 C92K75-S77 PolarHBondContact O-N 3.31Å; S77-C92 PolarHBondContact N-O 2.92Å; S77-C92 PolarHBondContact O-N 3.48Å
78T85.8Confident65.8Low29 Ų2987.8 Ų87.818%0.17845%0.448CS..EExtended strand (participates in β ladder)trans-91.2116174.1-59.60000107.7I80 H126 L127 T128T78-I80 HydrophobicContact CG2-CD1 4.49Å; T78-I80 HydrophobicContact CG2-CG1 4.2Å; T78-H126 PolarHBondContact N-O 2.81Å; T78-L127 HydrophobicContact CG2-CD1 3.75Å; T78-T128 PolarHBondContact O-N 2.93Å
79L87.3Confident68.4Low5 Ų583.3 Ų83.33%0.02642%0.424CS..EExtended strand (participates in β ladder)trans-106.7124.1173.717263000108.9F81 C90 A104 T128 W130L79-F81 HydrophobicContact CD2-CD1 4.3Å; L79-F81 HydrophobicContact CG-CD1 4.27Å; L79-C90 HydrophobicContact CB-CB 4.17Å; L79-C90 PolarHBondContact N-O 2.81Å; L79-C90 WeakPolarHBondContact O-CB 3.4Å; L79-C90 PolarHBondContact O-N 2.76Å; L79-A104 HydrophobicContact CD2-CB 3.93Å; L79-T128 CarbonylContact C-O 3.5Å; L79-T128 WeakPolarHBondContact CA-O 3.33Å; L79-T128 HydrophobicContact CD1-CG2 3.86Å; L79-W130 HydrophobicContact CD1-CD2 3.67Å; L79-W130 HydrophobicContact CD1-CE3 4.23Å; L79-W130 HydrophobicContact CD1-CG 3.96Å; L79-W130 HydrophobicContact CD1-CH2 4.49Å; L79-W130 HydrophobicContact CD1-CZ2 3.95Å; L79-W130 HydrophobicContact CD2-CD2 4.44Å; L79-W130 HydrophobicContact CD2-CE3 4.29Å; L79-W130 HydrophobicContact CD2-CH2 3.68Å; L79-W130 HydrophobicContact CD2-CZ2 3.81Å; L79-W130 HydrophobicContact CD2-CZ3 3.92Å
80I89.6Confident71Confident0 Ų077.9 Ų77.90%039%0.387CS..EExtended strand (participates in β ladder)trans-116134.1171.9-60179.9000108.5T78 I87 R88 Y123 L127 T128 I129 W130 L140T78-I80 HydrophobicContact CG2-CD1 4.49Å; T78-I80 HydrophobicContact CG2-CG1 4.2Å; I80-I87 HydrophobicContact CG2-CG2 3.69Å; I80-R88 VanDerWaalsContact CA-O 3.28Å; I80-R88 WeakPolarHBondContact CA-O 3.41Å; I80-Y123 HydrophobicContact CD1-CE1 3.64Å; I80-Y123 WeakPolarHBondContact CD1-OH 3.47Å; I80-L127 HydrophobicContact CD1-CD1 3.94Å; I80-L127 HydrophobicContact CG1-CD1 4.17Å; I80-T128 PolarHBondContact N-O 2.88Å; I80-I129 HydrophobicContact CB-CG1 4.32Å; I80-I129 CarbonylContact O-C 3.49Å; I80-I129 VanDerWaalsContact O-CA 3.23Å; I80-I129 WeakPolarHBondContact O-CA 3.18Å; I80-W130 PolarHBondContact O-N 2.9Å; I80-L140 HydrophobicContact CG2-CD1 3.99Å
81F88.3Confident73.3Confident4 Ų471 Ų712%0.01836%0.364CS..EExtended strand (participates in β ladder)trans-141.2151.8171.566.5-100.9000113.3L79 R88 C90 Y101 A104 W130L79-F81 HydrophobicContact CD2-CD1 4.3Å; L79-F81 HydrophobicContact CG-CD1 4.27Å; F81-R88 HydrophobicContact CD1-CB 4.16Å; F81-R88 HydrophobicContact CD2-CB 4.03Å; F81-R88 HydrophobicContact CD2-CG 4.26Å; F81-R88 HydrophobicContact CE1-CB 3.82Å; F81-R88 HydrophobicContact CE1-CG 4.45Å; F81-R88 HydrophobicContact CE2-CB 3.67Å; F81-R88 HydrophobicContact CE2-CG 3.57Å; F81-R88 HydrophobicContact CG-CB 4.26Å; F81-R88 HydrophobicContact CZ-CB 3.55Å; F81-R88 HydrophobicContact CZ-CG 3.69Å; F81-R88 PolarHBondContact N-O 2.83Å; F81-R88 PolarHBondContact O-N 2.88Å; F81-C90 VanDerWaalsContact CE1-SG 3.54Å; F81-Y101 HydrophobicContact CB-CD1 4.38Å; F81-Y101 HydrophobicContact CB-CE1 3.95Å; F81-Y101 HydrophobicContact CD1-CD1 4.42Å; F81-Y101 AromaticContact CD2-CD1 3.45Å; F81-Y101 HydrophobicContact CD2-CD1 3.45Å; F81-Y101 VanDerWaalsContact CD2-CD1 3.45Å; F81-Y101 AromaticContact CD2-CE1 3.64Å; F81-Y101 HydrophobicContact CD2-CE1 3.64Å; F81-Y101 AromaticContact CE2-CD1 3.68Å; F81-Y101 HydrophobicContact CE2-CD1 3.68Å; F81-Y101 HydrophobicContact CE2-CE1 4.32Å; F81-Y101 AromaticContact CG-CD1 3.86Å; F81-Y101 HydrophobicContact CG-CD1 3.86Å; F81-Y101 AromaticContact CG-CE1 3.92Å; F81-Y101 HydrophobicContact CG-CE1 3.92Å; F81-Y101 HydrophobicContact CZ-CD1 4.27Å; F81-A104 HydrophobicContact CE1-CB 4.15Å; F81-W130 VanDerWaalsContact CA-O 3.28Å; F81-W130 WeakPolarHBondContact CA-O 3.21Å; F81-W130 HydrophobicContact CB-CB 3.75Å; F81-W130 HydrophobicContact CB-CE3 4.1Å; F81-W130 HydrophobicContact CB-CG 4.46Å; F81-W130 HydrophobicContact CD1-CE3 4.14Å; F81-W130 HydrophobicContact CD1-CZ3 4.44Å; F81-W130 HydrophobicContact CG-CE3 4.29Å
82T80.7Confident75.5Confident6 Ų666.1 Ų66.14%0.03733%0.334CS..EExtended strand (participates in β ladder)trans-108.8126.7177.362.80000110.2T86 I87 W130 A136 L140T82-T86 WeakPolarHBondContact CA-O 3.36Å; T82-I87 HydrophobicContact CG2-CG1 4.09Å; T82-W130 PolarHBondContact N-O 3.38Å; T82-A136 HydrophobicContact CG2-CB 3.92Å; T82-L140 HydrophobicContact CG2-CD1 4.46Å
83K74Confident77.7Confident95 Ų9557.9 Ų57.941%0.41332%0.315SS..EExtended strand (participates in β ladder)trans-138.3123.3172.5-173.5176.7178.8-177.60108.7N85 T86K83-N85 VanDerWaalsContact C-N 3.3Å; K83-N85 PolarHBondContact O-N 3.46Å; K83-T86 PolarHBondContact N-O 2.99Å; K83-T86 PolarHBondContact O-N 2.98Å; K83-T86 PolarHBondContact O-OG1 3.1Å
84E68.5Low79.6Confident162 Ų16256 Ų5676%0.75729%0.293SS*.THydrogen-bonded Turntrans51.147.7173.7-63.1159.4-152.800112.5T86E84-T86 PolarHBondContact O-N 2.94Å; E84-T86 VanDerWaalsContact O-N 3.17Å
85N68.4Low81.2Confident148 Ų14858.3 Ų58.379%0.79131%0.308SS*.THydrogen-bonded Turntrans67.71.7-177.4-54.6-27.1000116.5K83K83-N85 VanDerWaalsContact C-N 3.3Å; K83-N85 PolarHBondContact O-N 3.46Å
86T80.2Confident82.6Confident59 Ų5951.8 Ų51.836%0.36228%0.28SS..EExtended strand (participates in β ladder)trans-93.3137.4171.5690000110.6T82 K83 E84T82-T86 WeakPolarHBondContact CA-O 3.36Å; K83-T86 PolarHBondContact N-O 2.99Å; K83-T86 PolarHBondContact O-N 2.98Å; K83-T86 PolarHBondContact O-OG1 3.1Å; E84-T86 PolarHBondContact O-N 2.94Å; E84-T86 VanDerWaalsContact O-N 3.17Å
87I86.9Confident83.7Confident4 Ų453.8 Ų53.82%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-102.9123.8173.6-51.2-171.3000107.9I80 T82 T112 V113 P115 V118 L140I80-I87 HydrophobicContact CG2-CG2 3.69Å; T82-I87 HydrophobicContact CG2-CG1 4.09Å; I87-T112 WeakPolarHBondContact O-CA 3.4Å; I87-V113 PolarHBondContact O-N 2.75Å; I87-P115 HydrophobicContact CD1-CB 4.23Å; I87-P115 HydrophobicContact CD1-CG 4.43Å; I87-P115 HydrophobicContact CG1-CG 4.5Å; I87-V118 HydrophobicContact CD1-CG2 3.95Å; I87-V118 HydrophobicContact CG2-CG2 4.35Å; I87-L140 HydrophobicContact CD1-CD2 4.12Å; I87-L140 HydrophobicContact CD1-CG 4.47Å; I87-L140 HydrophobicContact CG2-CD2 4.44Å
88R89.1Confident84.4Confident83 Ų8353.5 Ų53.531%0.31328%0.275SS..EExtended strand (participates in β ladder)trans-105.2127.2174-67.3-71.2-177.5154.9-1.2108.8I80 F81 K111 T112I80-R88 VanDerWaalsContact CA-O 3.28Å; I80-R88 WeakPolarHBondContact CA-O 3.41Å; F81-R88 HydrophobicContact CD1-CB 4.16Å; F81-R88 HydrophobicContact CD2-CB 4.03Å; F81-R88 HydrophobicContact CD2-CG 4.26Å; F81-R88 HydrophobicContact CE1-CB 3.82Å; F81-R88 HydrophobicContact CE1-CG 4.45Å; F81-R88 HydrophobicContact CE2-CB 3.67Å; F81-R88 HydrophobicContact CE2-CG 3.57Å; F81-R88 HydrophobicContact CG-CB 4.26Å; F81-R88 HydrophobicContact CZ-CB 3.55Å; F81-R88 HydrophobicContact CZ-CG 3.69Å; F81-R88 PolarHBondContact N-O 2.83Å; F81-R88 PolarHBondContact O-N 2.88Å; R88-K111 WeakPolarHBondContact CA-O 3.31Å; R88-T112 PolarHBondContact NE-OG1 3.27Å; R88-T112 PolarHBondContact NH1-OG1 3.48Å; R88-T112 VanDerWaalsContact NH1-OG1 3.12Å; R88-T112 PolarHBondContact NH2-OG1 3.31Å
89N90.3Very high84.6Confident44 Ų4453.4 Ų53.424%0.23528%0.276CS..EExtended strand (participates in β ladder)trans-108.8115.4171.5-177.2-23.1000108C110 K111 V113N89-C110 WeakPolarHBondContact O-CA 3.39Å; N89-K111 PolarHBondContact N-O 3.19Å; N89-K111 PolarHBondContact O-N 2.9Å; N89-V113 HydrophobicContact CB-CG2 3.83Å
90C89.9Confident84.8Confident0 Ų055.8 Ų55.80%029%0.288CS..EExtended strand (participates in β ladder)trans-118.6139.7-172.2-56.70000110.4L79 F81 C108 S109 C110L79-C90 HydrophobicContact CB-CB 4.17Å; L79-C90 PolarHBondContact N-O 2.81Å; L79-C90 WeakPolarHBondContact O-CB 3.4Å; L79-C90 PolarHBondContact O-N 2.76Å; F81-C90 VanDerWaalsContact CE1-SG 3.54Å; C90-C108 HydrophobicContact CB-CB 3.93Å; C90-S109 WeakPolarHBondContact CA-O 3.49Å; C90-C110 HydrophobicContact CB-CB 4.09Å; C90-C110 WeakPolarHBondContact CB-SG 3.25Å; C90-C110 WeakPolarHBondContact SG-CB 3.35Å; C90-C110 CovalentContact SG-SG 2.03Å; C90-C110 PolarHBondContact SG-SG 3.02Å
91S90.1Very high84.8Confident54 Ų5457.6 Ų57.638%0.37830%0.296SS..EExtended strand (participates in β ladder)trans-105.2120.4164.6-171.50000108.6C108 S109S91-C108 WeakPolarHBondContact O-CB 3.31Å; S91-S109 PolarHBondContact N-O 3.14Å; S91-S109 PolarHBondContact O-N 2.81Å
92C87.9Confident84.9Confident2 Ų262 Ų621%0.01433%0.327CS..EExtended strand (participates in β ladder)trans-111.7140-179.2-550000109.6S77 A94 I96 C108S77-C92 PolarHBondContact N-O 2.92Å; S77-C92 PolarHBondContact O-N 3.48Å; C92-A94 VanDerWaalsContact C-N 3.34Å; C92-A94 WeakPolarHBondContact CB-O 3.46Å; C92-I96 HydrophobicContact CB-CG1 4.42Å; C92-C108 HydrophobicContact CB-CB 4.02Å; C92-C108 WeakPolarHBondContact CB-SG 3.4Å; C92-C108 WeakPolarHBondContact SG-CB 2.97Å; C92-C108 CovalentContact SG-SG 2.03Å; C92-C108 PolarHBondContact SG-SG 2.9Å
93S83.9Confident85.4Confident78 Ų7864.6 Ų64.655%0.54534%0.34SS..SBendtrans-81.1-19.5172.553.30000112.5Q74Q74-S93 WeakPolarHBondContact CB-O 3.33Å; Q74-S93 PolarHBondContact OE1-O 2.7Å
94A83.1Confident86.2Confident31 Ų3160.1 Ų60.126%0.25632%0.321SS..SBendtrans-137.5159.2177.800000112.1Q74 C92 I96Q74-A94 VanDerWaalsContact OE1-CA 3.27Å; C92-A94 VanDerWaalsContact C-N 3.34Å; C92-A94 WeakPolarHBondContact CB-O 3.46Å; A94-I96 PolarHBondContact O-N 3.22Å
95D82Confident87.2Confident121 Ų12156.4 Ų56.465%0.64731%0.306SS*.PPolyproline II helixtrans-66.2125.7173-67-36.9000109.9Q74Q74-D95 PolarHBondContact NE2-OD2 3.13Å
96I87.8Confident88.2Confident24 Ų2456 Ų5612%0.12330%0.304CS..PPolyproline II helixtrans-95.3144177.7-52.2-56.5000108.5C92 A94 D98 L103 A104 M107 C108 W130C92-I96 HydrophobicContact CB-CG1 4.42Å; A94-I96 PolarHBondContact O-N 3.22Å; I96-D98 PolarHBondContact O-N 2.75Å; I96-L103 HydrophobicContact CG2-CB 4.12Å; I96-L103 HydrophobicContact CG2-CD2 3.84Å; I96-L103 HydrophobicContact CG2-CG 3.87Å; I96-A104 HydrophobicContact CG2-CB 4.27Å; I96-M107 HydrophobicContact CD1-CB 3.65Å; I96-M107 HydrophobicContact CD1-CG 4.24Å; I96-C108 VanDerWaalsContact CG1-SG 3.56Å; I96-W130 HydrophobicContact CB-CH2 4.04Å; I96-W130 HydrophobicContact CB-CZ2 4.15Å; I96-W130 HydrophobicContact CG2-CH2 3.73Å; I96-W130 HydrophobicContact CG2-CZ2 4.26Å
97R88.4Confident88.7Confident165 Ų16557.9 Ų57.962%0.62331%0.309SS*.PPolyproline II helixtrans-53.9129.8171-178-179.2172.7-178.2-2.5109.5D100 W130 E177R97-D100 HydrophobicContact CB-CB 4.43Å; R97-D100 PolarHBondContact O-N 3.03Å; R97-W130 VanDerWaalsContact O-CH2 3.31Å; R97-W130 WeakPolarHBondContact O-CH2 3.36Å; R97-W130 VanDerWaalsContact O-CZ2 3.28Å; R97-W130 WeakPolarHBondContact O-CZ2 3.43Å; R97-E177 IonicContact CZ-OE1 3.86Å; R97-E177 IonicContact NE-OE1 2.71Å; R97-E177 PolarHBondContact NE-OE1 2.78Å; R97-E177 IonicContact NH2-OE1 2.73Å; R97-E177 PolarHBondContact NH2-OE1 3.06Å
98D89.8Confident88.8Confident9 Ų958.3 Ų58.35%0.04831%0.312CS..THydrogen-bonded Turntrans-57.2141.3-177.6-71.9-19.8000111.6I96 D100 W130 K150 S152 N175I96-D98 PolarHBondContact O-N 2.75Å; D98-D100 PolarHBondContact O-N 3.05Å; D98-D100 VanDerWaalsContact O-N 3.12Å; D98-W130 PolarHBondContact OD1-NE1 3.15Å; D98-W130 VanDerWaalsContact OD1-NE1 3.07Å; D98-K150 VanDerWaalsContact CG-NZ 3.34Å; D98-K150 VanDerWaalsContact OD1-CE 3.25Å; D98-K150 WeakPolarHBondContact OD1-CE 3.15Å; D98-K150 IonicContact OD1-NZ 3.87Å; D98-K150 PolarHBondContact OD1-NZ 2.78Å; D98-K150 VanDerWaalsContact OD1-NZ 3.13Å; D98-K150 WeakPolarHBondContact OD2-CE 3.34Å; D98-K150 IonicContact OD2-NZ 3.31Å; D98-K150 PolarHBondContact OD2-NZ 2.87Å; D98-S152 PolarHBondContact OD1-OG 3.19Å; D98-S152 PolarHBondContact OD2-OG 3.06Å; D98-N175 WeakPolarHBondContact OD2-CB 3.42Å; D98-N175 PolarHBondContact OD2-ND2 3.12Å
99C90.6Very high88.9Confident28 Ų2859 Ų5919%0.18933%0.33CS..THydrogen-bonded Turntrans64.86.2178.2-49.80000116Y101 C154 E177C99-Y101 WeakPolarHBondContact O-CD2 3.45Å; C99-Y101 PolarHBondContact O-N 3.32Å; C99-C154 WeakPolarHBondContact CA-SG 3.32Å; C99-C154 HydrophobicContact CB-CB 3.65Å; C99-C154 WeakPolarHBondContact CB-SG 3.39Å; C99-C154 WeakPolarHBondContact SG-CA 3.42Å; C99-C154 WeakPolarHBondContact SG-CB 3.36Å; C99-C154 CovalentContact SG-SG 2.03Å; C99-C154 PolarHBondContact SG-SG 3.15Å; C99-E177 HydrophobicContact CB-CG 4.31Å
100D91Very high88.9Confident54 Ų5458.5 Ų58.529%0.28933%0.329SS..  trans-87.781.9171.2-165.5-23.4000111R97 D98 S102 L103 A104R97-D100 HydrophobicContact CB-CB 4.43Å; R97-D100 PolarHBondContact O-N 3.03Å; D98-D100 PolarHBondContact O-N 3.05Å; D98-D100 VanDerWaalsContact O-N 3.12Å; D100-S102 VanDerWaalsContact C-N 3.26Å; D100-S102 PolarHBondContact O-N 2.87Å; D100-S102 PolarHBondContact OD1-N 3.04Å; D100-L103 HydrophobicContact CB-CB 3.95Å; D100-L103 PolarHBondContact O-N 3.36Å; D100-L103 WeakPolarHBondContact OD1-CB 3.43Å; D100-L103 PolarHBondContact OD1-N 2.91Å; D100-L103 WeakPolarHBondContact OD2-CB 3.39Å; D100-A104 WeakPolarHBondContact O-CB 3.43Å; D100-A104 PolarHBondContact O-N 3.48Å
101Y90.8Very high88.8Confident39 Ų3966.2 Ų66.215%0.15336%0.363CS..Hα-helixtrans-62-33.6-179.8-56.7-69.6000113.1F81 C99 N105 W130 C154F81-Y101 HydrophobicContact CB-CD1 4.38Å; F81-Y101 HydrophobicContact CB-CE1 3.95Å; F81-Y101 HydrophobicContact CD1-CD1 4.42Å; F81-Y101 AromaticContact CD2-CD1 3.45Å; F81-Y101 HydrophobicContact CD2-CD1 3.45Å; F81-Y101 VanDerWaalsContact CD2-CD1 3.45Å; F81-Y101 AromaticContact CD2-CE1 3.64Å; F81-Y101 HydrophobicContact CD2-CE1 3.64Å; F81-Y101 AromaticContact CE2-CD1 3.68Å; F81-Y101 HydrophobicContact CE2-CD1 3.68Å; F81-Y101 HydrophobicContact CE2-CE1 4.32Å; F81-Y101 AromaticContact CG-CD1 3.86Å; F81-Y101 HydrophobicContact CG-CD1 3.86Å; F81-Y101 AromaticContact CG-CE1 3.92Å; F81-Y101 HydrophobicContact CG-CE1 3.92Å; F81-Y101 HydrophobicContact CZ-CD1 4.27Å; C99-Y101 WeakPolarHBondContact O-CD2 3.45Å; C99-Y101 PolarHBondContact O-N 3.32Å; Y101-N105 WeakPolarHBondContact O-CB 3.46Å; Y101-N105 VanDerWaalsContact O-CG 3.27Å; Y101-N105 PolarHBondContact O-N 3.3Å; Y101-N105 PolarHBondContact O-ND2 3.15Å; Y101-W130 AromaticContact CD1-CE3 3.99Å; Y101-W130 HydrophobicContact CD1-CE3 3.99Å; Y101-W130 HydrophobicContact CD1-CZ3 4.28Å; Y101-W130 AromaticContact CE1-CE3 3.98Å; Y101-W130 HydrophobicContact CE1-CE3 3.98Å; Y101-C154 WeakPolarHBondContact OH-CB 3.35Å
102S90Very high88.6Confident96 Ų9667.4 Ų67.467%0.67137%0.368SS*.Hα-helixtrans-68.5-46.1-179.5-63.80000110.3D100 N105 L106D100-S102 VanDerWaalsContact C-N 3.26Å; D100-S102 PolarHBondContact O-N 2.87Å; D100-S102 PolarHBondContact OD1-N 3.04Å; S102-N105 PolarHBondContact O-N 3.47Å; S102-L106 PolarHBondContact O-N 3.16Å; S102-L106 VanDerWaalsContact O-N 3.15Å
103L90.8Very high88.2Confident61 Ų6169.1 Ų69.132%0.31938%0.378SS..Hα-helixtrans-64.1-41.8176-17462000111.6I96 D100 N105 L106 M107I96-L103 HydrophobicContact CG2-CB 4.12Å; I96-L103 HydrophobicContact CG2-CD2 3.84Å; I96-L103 HydrophobicContact CG2-CG 3.87Å; D100-L103 HydrophobicContact CB-CB 3.95Å; D100-L103 PolarHBondContact O-N 3.36Å; D100-L103 WeakPolarHBondContact OD1-CB 3.43Å; D100-L103 PolarHBondContact OD1-N 2.91Å; D100-L103 WeakPolarHBondContact OD2-CB 3.39Å; L103-N105 PolarHBondContact O-N 2.79Å; L103-L106 PolarHBondContact O-N 2.93Å; L103-M107 HydrophobicContact CD1-CG 3.64Å; L103-M107 HydrophobicContact CG-CG 4.15Å; L103-M107 WeakPolarHBondContact O-CB 3.47Å; L103-M107 WeakPolarHBondContact O-CG 3.24Å; L103-M107 PolarHBondContact O-N 3.22Å
104A90.6Very high87.5Confident0 Ų071.8 Ų71.80%039%0.386CS..Hα-helixtrans-60.8-42.9176.400000112.5L79 F81 I96 D100 L106 C108 W130L79-A104 HydrophobicContact CD2-CB 3.93Å; F81-A104 HydrophobicContact CE1-CB 4.15Å; I96-A104 HydrophobicContact CG2-CB 4.27Å; D100-A104 WeakPolarHBondContact O-CB 3.43Å; D100-A104 PolarHBondContact O-N 3.48Å; A104-L106 PolarHBondContact O-N 3.25Å; A104-C108 WeakPolarHBondContact O-CA 3.32Å; A104-C108 WeakPolarHBondContact O-CB 3.38Å; A104-C108 PolarHBondContact O-N 3.42Å; A104-W130 HydrophobicContact CB-CH2 3.85Å; A104-W130 HydrophobicContact CB-CZ3 3.72Å
105N89.1Confident86.3Confident84 Ų8473 Ų7345%0.44939%0.391SS..Hα-helixtrans-67.5-26.1177.7-73.3-43000113.1Y101 S102 L103Y101-N105 WeakPolarHBondContact O-CB 3.46Å; Y101-N105 VanDerWaalsContact O-CG 3.27Å; Y101-N105 PolarHBondContact O-N 3.3Å; Y101-N105 PolarHBondContact O-ND2 3.15Å; S102-N105 PolarHBondContact O-N 3.47Å; L103-N105 PolarHBondContact O-N 2.79Å
106L89.4Confident84.7Confident141 Ų14175.6 Ų75.674%0.73840%0.404SS*.Hα-helixtrans-82.6-41.9177.9-174.967.7000112.2S102 L103 A104S102-L106 PolarHBondContact O-N 3.16Å; S102-L106 VanDerWaalsContact O-N 3.15Å; L103-L106 PolarHBondContact O-N 2.93Å; A104-L106 PolarHBondContact O-N 3.25Å
107M90.6Very high82.8Confident98 Ų9877.9 Ų77.948%0.48343%0.427SS..Hα-helixtrans-94.9-18.5-170.2-67.8-63.6-53.500114I96 L103I96-M107 HydrophobicContact CD1-CB 3.65Å; I96-M107 HydrophobicContact CD1-CG 4.24Å; L103-M107 HydrophobicContact CD1-CG 3.64Å; L103-M107 HydrophobicContact CG-CG 4.15Å; L103-M107 WeakPolarHBondContact O-CB 3.47Å; L103-M107 WeakPolarHBondContact O-CG 3.24Å; L103-M107 PolarHBondContact O-N 3.22Å
108C90.4Very high81.1Confident12 Ų1270.5 Ų70.58%0.08140%0.4CS..EExtended strand (participates in β ladder)trans-117.5150.8-174.9-49.90000112.5C90 S91 C92 I96 A104 C110C90-C108 HydrophobicContact CB-CB 3.93Å; S91-C108 WeakPolarHBondContact O-CB 3.31Å; C92-C108 HydrophobicContact CB-CB 4.02Å; C92-C108 WeakPolarHBondContact CB-SG 3.4Å; C92-C108 WeakPolarHBondContact SG-CB 2.97Å; C92-C108 CovalentContact SG-SG 2.03Å; C92-C108 PolarHBondContact SG-SG 2.9Å; I96-C108 VanDerWaalsContact CG1-SG 3.56Å; A104-C108 WeakPolarHBondContact O-CA 3.32Å; A104-C108 WeakPolarHBondContact O-CB 3.38Å; A104-C108 PolarHBondContact O-N 3.42Å; C108-C110 PolarHBondContact O-N 2.79Å
109S90.8Very high79.4Confident99 Ų9973.3 Ų73.369%0.69243%0.431SS*.EExtended strand (participates in β ladder)trans-83.399.3171.2-69.20000109.9C90 S91C90-S109 WeakPolarHBondContact CA-O 3.49Å; S91-S109 PolarHBondContact N-O 3.14Å; S91-S109 PolarHBondContact O-N 2.81Å
110C89.4Confident78.2Confident32 Ų3278.4 Ų78.422%0.21645%0.446CS..EExtended strand (participates in β ladder)trans-103.3138.5-174.6-64.50000113.5N89 C90 C108N89-C110 WeakPolarHBondContact O-CA 3.39Å; C90-C110 HydrophobicContact CB-CB 4.09Å; C90-C110 WeakPolarHBondContact CB-SG 3.25Å; C90-C110 WeakPolarHBondContact SG-CB 3.35Å; C90-C110 CovalentContact SG-SG 2.03Å; C90-C110 PolarHBondContact SG-SG 3.02Å; C108-C110 PolarHBondContact O-N 2.79Å
111K88.4Confident77.1Confident163 Ų16381 Ų8171%0.70946%0.464SS*.EExtended strand (participates in β ladder)trans-122138.6171.1-64.2-176.8-179.4-1790110.3R88 N89R88-K111 WeakPolarHBondContact CA-O 3.31Å; N89-K111 PolarHBondContact N-O 3.19Å; N89-K111 PolarHBondContact O-N 2.9Å
112T85.9Confident76.6Confident79 Ų7980.9 Ų80.949%0.48547%0.469SS..EExtended strand (participates in β ladder)trans-76.7132.2170.2-49.10000109.1I87 R88I87-T112 WeakPolarHBondContact O-CA 3.4Å; R88-T112 PolarHBondContact NE-OG1 3.27Å; R88-T112 PolarHBondContact NH1-OG1 3.48Å; R88-T112 VanDerWaalsContact NH1-OG1 3.12Å; R88-T112 PolarHBondContact NH2-OG1 3.31Å
113V80.1Confident76.2Confident37 Ų3776.7 Ų76.722%0.22444%0.438CS..EExtended strand (participates in β ladder)trans-121139177.2-164.60000108.9I87 N89 A117 V118I87-V113 PolarHBondContact O-N 2.75Å; N89-V113 HydrophobicContact CB-CG2 3.83Å; V113-A117 HydrophobicContact CG1-CB 4.13Å; V113-V118 HydrophobicContact CB-CG2 3.99Å; V113-V118 HydrophobicContact CG1-CG2 3.7Å
114L68.3Low75.4Confident134 Ų13480.9 Ų80.970%0.70246%0.461SS*.  trans-66.2137.3175.6-75165.6000109.9L116 A117 V118L114-L116 PolarHBondContact O-N 2.99Å; L114-A117 HydrophobicContact CB-CB 4.22Å; L114-A117 PolarHBondContact O-N 3.42Å; L114-V118 VanDerWaalsContact O-CG2 3.29Å; L114-V118 WeakPolarHBondContact O-CG2 2.87Å
115P58.3Low74.7Confident57 Ų5782.7 Ų82.737%0.3748%0.479SS..THydrogen-bonded Turntrans-53-29.8-179-28.534.6000115.1I87I87-P115 HydrophobicContact CD1-CB 4.23Å; I87-P115 HydrophobicContact CD1-CG 4.43Å; I87-P115 HydrophobicContact CG1-CG 4.5Å
116L48.3Very low74.6Confident176 Ų17682.9 Ų82.992%0.92148%0.477SS*.THydrogen-bonded Turntrans-79.9-20.8177.7-74149.8000113.6L114L114-L116 PolarHBondContact O-N 2.99Å
117A47.8Very low74.7Confident72 Ų7276.2 Ų76.260%0.59544%0.443SS*.THydrogen-bonded Turntrans-93-2-178.100000113.3V113 L114 G119V113-A117 HydrophobicContact CG1-CB 4.13Å; L114-A117 HydrophobicContact CB-CB 4.22Å; L114-A117 PolarHBondContact O-N 3.42Å; A117-G119 VanDerWaalsContact C-N 3.3Å
118V53.9Low74.8Confident10 Ų1072.5 Ų72.56%0.06143%0.425CS..  trans-92.214.2179.8-150.50000113.1I87 V113 L114 R120 Y123 L140I87-V118 HydrophobicContact CD1-CG2 3.95Å; I87-V118 HydrophobicContact CG2-CG2 4.35Å; V113-V118 HydrophobicContact CB-CG2 3.99Å; V113-V118 HydrophobicContact CG1-CG2 3.7Å; L114-V118 VanDerWaalsContact O-CG2 3.29Å; L114-V118 WeakPolarHBondContact O-CG2 2.87Å; V118-R120 PolarHBondContact O-N 3.18Å; V118-Y123 WeakPolarHBondContact CG1-OH 3.44Å; V118-L140 HydrophobicContact CB-CD2 3.56Å; V118-L140 HydrophobicContact CG1-CD2 3.14Å; V118-L140 HydrophobicContact CG2-CD2 4.2Å
119G54Low74.9Confident68 Ų6872 Ų7270%0.70142%0.422SS*.  trans-69.158.5168.800000111.9A117A117-G119 VanDerWaalsContact C-N 3.3Å
120R64.2Low75Confident135 Ų13567.3 Ų67.351%0.50939%0.389SS..  trans-78.6127.7174.2-149.4178.2-172.6167.92.5107.3V118 S122 Y123 T144V118-R120 PolarHBondContact O-N 3.18Å; R120-S122 VanDerWaalsContact CD-O 3.25Å; R120-S122 WeakPolarHBondContact CD-O 3.46Å; R120-S122 VanDerWaalsContact CG-O 3.31Å; R120-S122 WeakPolarHBondContact CG-O 3.49Å; R120-S122 PolarHBondContact O-N 3Å; R120-Y123 HydrophobicContact CB-CE2 4.21Å; R120-T144 WeakPolarHBondContact O-CG2 3.36Å
121T67.6Low75.1Confident108 Ų10865.9 Ų65.966%0.66338%0.379SS*.SBendtrans-73.6-16.8-179.354.60000112.9L145T121-L145 PolarHBondContact O-N 3.22Å; T121-L145 VanDerWaalsContact O-N 3.12Å
122S79.8Confident75.2Confident36 Ų3660.2 Ų60.225%0.25236%0.358SS..EExtended strand (participates in β ladder)trans-157.7149.8-179.655.30000112.4R120 L145R120-S122 VanDerWaalsContact CD-O 3.25Å; R120-S122 WeakPolarHBondContact CD-O 3.46Å; R120-S122 VanDerWaalsContact CG-O 3.31Å; R120-S122 WeakPolarHBondContact CG-O 3.49Å; R120-S122 PolarHBondContact O-N 3Å; S122-L145 CarbonylContact C-O 3.59Å; S122-L145 VanDerWaalsContact CA-O 3.31Å; S122-L145 WeakPolarHBondContact CA-O 3.45Å
123Y82.4Confident75.1Confident9 Ų958.8 Ų58.84%0.03535%0.347CS..EExtended strand (participates in β ladder)trans-117.1129.4164.5-68-88.1000109.1I80 V118 R120 L127 T144 L145 V146I80-Y123 HydrophobicContact CD1-CE1 3.64Å; I80-Y123 WeakPolarHBondContact CD1-OH 3.47Å; V118-Y123 WeakPolarHBondContact CG1-OH 3.44Å; R120-Y123 HydrophobicContact CB-CE2 4.21Å; Y123-L127 HydrophobicContact CD1-CD1 4.02Å; Y123-L127 HydrophobicContact CD1-CD2 4.21Å; Y123-L127 HydrophobicContact CD2-CD2 3.57Å; Y123-L127 HydrophobicContact CE1-CD1 4.33Å; Y123-L127 HydrophobicContact CE2-CD2 4.02Å; Y123-L127 HydrophobicContact CG-CD1 4.28Å; Y123-L127 HydrophobicContact CG-CD2 3.67Å; Y123-L127 HydrophobicContact CG-CG 4.49Å; Y123-T144 HydrophobicContact CD2-CG2 3.61Å; Y123-T144 HydrophobicContact CE2-CG2 3.76Å; Y123-L145 PolarHBondContact N-O 2.93Å; Y123-V146 HydrophobicContact CD2-CG2 3.92Å
124N73.9Confident75.5Confident149 Ų14957.9 Ų57.980%0.79734%0.342SS*.EExtended strand (participates in β ladder)trans-90.4128176.4-69.1-12.2000109.4
125G77Confident76.3Confident37 Ų3754.4 Ų54.438%0.38133%0.329SS..EExtended strand (participates in β ladder)trans91.4-151.417500000114.3
126H86Confident77.4Confident88 Ų8851.9 Ų51.941%0.40731%0.313SS..EExtended strand (participates in β ladder)trans-84.7117.1-178.7-55.1-73.6000109.7T78 D148T78-H126 PolarHBondContact N-O 2.81Å; H126-D148 IonicContact CE1-OD2 2.85Å; H126-D148 PolarHBondContact CE1-OD2 2.89Å; H126-D148 IonicContact CG-OD2 3.98Å; H126-D148 WeakPolarHBondContact ND1-CB 3.46Å; H126-D148 VanDerWaalsContact ND1-CG 3.25Å; H126-D148 IonicContact ND1-OD2 3.13Å; H126-D148 PolarHBondContact ND1-OD2 2.84Å
127L90.8Very high79.3Confident2 Ų243.6 Ų43.61%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-105.6123.4176.7-179.861.8000109.6T78 I80 Y123 I129 L141 V146 D148 L149 K150T78-L127 HydrophobicContact CG2-CD1 3.75Å; I80-L127 HydrophobicContact CD1-CD1 3.94Å; I80-L127 HydrophobicContact CG1-CD1 4.17Å; Y123-L127 HydrophobicContact CD1-CD1 4.02Å; Y123-L127 HydrophobicContact CD1-CD2 4.21Å; Y123-L127 HydrophobicContact CD2-CD2 3.57Å; Y123-L127 HydrophobicContact CE1-CD1 4.33Å; Y123-L127 HydrophobicContact CE2-CD2 4.02Å; Y123-L127 HydrophobicContact CG-CD1 4.28Å; Y123-L127 HydrophobicContact CG-CD2 3.67Å; Y123-L127 HydrophobicContact CG-CG 4.49Å; L127-I129 HydrophobicContact CD1-CG1 4.28Å; L127-I129 HydrophobicContact CD2-CD1 3.96Å; L127-I129 HydrophobicContact CD2-CG1 4.21Å; L127-I129 HydrophobicContact CG-CD1 4.25Å; L127-I129 HydrophobicContact CG-CG1 3.93Å; L127-L141 HydrophobicContact CD2-CD2 3.98Å; L127-V146 HydrophobicContact CB-CG1 3.92Å; L127-V146 HydrophobicContact CD2-CG1 4.01Å; L127-V146 HydrophobicContact CD2-CG2 3.95Å; L127-D148 PolarHBondContact N-O 2.03Å; L127-L149 HydrophobicContact CB-CD1 4.25Å; L127-L149 HydrophobicContact CD2-CD1 4Å; L127-L149 HydrophobicContact CG-CD1 4.06Å; L127-L149 CarbonylContact O-C 3.56Å; L127-L149 WeakPolarHBondContact O-CA 3.37Å; L127-K150 PolarHBondContact O-N 2.96Å
128T93.2Very high81.1Confident19 Ų1940.7 Ų40.712%0.11725%0.247CC..EExtended strand (participates in β ladder)trans-109.3128.8171-57.30000108.9T78 L79 I80 K150T78-T128 PolarHBondContact O-N 2.93Å; L79-T128 CarbonylContact C-O 3.5Å; L79-T128 WeakPolarHBondContact CA-O 3.33Å; L79-T128 HydrophobicContact CD1-CG2 3.86Å; I80-T128 PolarHBondContact N-O 2.88Å; T128-K150 CarbonylContact C-O 3.57Å; T128-K150 WeakPolarHBondContact CA-O 3.38Å; T128-K150 HydrophobicContact CG2-CB 4.23Å; T128-K150 HydrophobicContact CG2-CD 4.1Å; T128-K150 HydrophobicContact CG2-CG 4.11Å
129I93.2Very high82.5Confident1 Ų147 Ų471%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-123.4124.3175.2-49.3-169000110.3I80 L127 L137 L141 L149 K150 L151 S152I80-I129 HydrophobicContact CB-CG1 4.32Å; I80-I129 CarbonylContact O-C 3.49Å; I80-I129 VanDerWaalsContact O-CA 3.23Å; I80-I129 WeakPolarHBondContact O-CA 3.18Å; L127-I129 HydrophobicContact CD1-CG1 4.28Å; L127-I129 HydrophobicContact CD2-CD1 3.96Å; L127-I129 HydrophobicContact CD2-CG1 4.21Å; L127-I129 HydrophobicContact CG-CD1 4.25Å; L127-I129 HydrophobicContact CG-CG1 3.93Å; I129-L137 HydrophobicContact CB-CD1 4.3Å; I129-L137 HydrophobicContact CD1-CD1 4.1Å; I129-L137 HydrophobicContact CG2-CD1 3.78Å; I129-L141 HydrophobicContact CD1-CD1 3.77Å; I129-L141 HydrophobicContact CD1-CD2 3.88Å; I129-L141 HydrophobicContact CD1-CG 3.79Å; I129-L149 HydrophobicContact CD1-CD1 4.38Å; I129-L149 HydrophobicContact CG1-CD1 4.26Å; I129-K150 PolarHBondContact N-O 2.03Å; I129-L151 HydrophobicContact CB-CD2 3.87Å; I129-L151 HydrophobicContact CG1-CD2 4.36Å; I129-L151 WeakPolarHBondContact O-CA 3.5Å; I129-S152 PolarHBondContact O-N 3.37Å
130W93.6Very high83.9Confident2 Ų243.9 Ų43.91%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-99.6126.3168.1-58-15.8000109L79 I80 F81 T82 I96 R97 D98 Y101 A104 S152L79-W130 HydrophobicContact CD1-CD2 3.67Å; L79-W130 HydrophobicContact CD1-CE3 4.23Å; L79-W130 HydrophobicContact CD1-CG 3.96Å; L79-W130 HydrophobicContact CD1-CH2 4.49Å; L79-W130 HydrophobicContact CD1-CZ2 3.95Å; L79-W130 HydrophobicContact CD2-CD2 4.44Å; L79-W130 HydrophobicContact CD2-CE3 4.29Å; L79-W130 HydrophobicContact CD2-CH2 3.68Å; L79-W130 HydrophobicContact CD2-CZ2 3.81Å; L79-W130 HydrophobicContact CD2-CZ3 3.92Å; I80-W130 PolarHBondContact O-N 2.9Å; F81-W130 VanDerWaalsContact CA-O 3.28Å; F81-W130 WeakPolarHBondContact CA-O 3.21Å; F81-W130 HydrophobicContact CB-CB 3.75Å; F81-W130 HydrophobicContact CB-CE3 4.1Å; F81-W130 HydrophobicContact CB-CG 4.46Å; F81-W130 HydrophobicContact CD1-CE3 4.14Å; F81-W130 HydrophobicContact CD1-CZ3 4.44Å; F81-W130 HydrophobicContact CG-CE3 4.29Å; T82-W130 PolarHBondContact N-O 3.38Å; I96-W130 HydrophobicContact CB-CH2 4.04Å; I96-W130 HydrophobicContact CB-CZ2 4.15Å; I96-W130 HydrophobicContact CG2-CH2 3.73Å; I96-W130 HydrophobicContact CG2-CZ2 4.26Å; R97-W130 VanDerWaalsContact O-CH2 3.31Å; R97-W130 WeakPolarHBondContact O-CH2 3.36Å; R97-W130 VanDerWaalsContact O-CZ2 3.28Å; R97-W130 WeakPolarHBondContact O-CZ2 3.43Å; D98-W130 PolarHBondContact OD1-NE1 3.15Å; D98-W130 VanDerWaalsContact OD1-NE1 3.07Å; Y101-W130 AromaticContact CD1-CE3 3.99Å; Y101-W130 HydrophobicContact CD1-CE3 3.99Å; Y101-W130 HydrophobicContact CD1-CZ3 4.28Å; Y101-W130 AromaticContact CE1-CE3 3.98Å; Y101-W130 HydrophobicContact CE1-CE3 3.98Å; A104-W130 HydrophobicContact CB-CH2 3.85Å; A104-W130 HydrophobicContact CB-CZ3 3.72Å; W130-S152 WeakPolarHBondContact CA-O 3.41Å
131F91.2Very high85.1Confident1 Ų137.4 Ų37.40%0.00421%0.213CC..EExtended strand (participates in β ladder)trans-139.5155-173.372.4-75.7000111.4L137 L151 S152 L153 C154 L159 M219 F222F131-L137 HydrophobicContact CB-CD1 4.47Å; F131-L137 HydrophobicContact CD1-CD2 4.22Å; F131-L137 HydrophobicContact CD2-CB 4.45Å; F131-L137 HydrophobicContact CD2-CD2 4Å; F131-L137 HydrophobicContact CE1-CD2 4.24Å; F131-L137 HydrophobicContact CE2-CD2 3.99Å; F131-L137 HydrophobicContact CG-CD1 4.42Å; F131-L137 HydrophobicContact CG-CD2 4.11Å; F131-L137 HydrophobicContact CZ-CD2 4.12Å; F131-L151 HydrophobicContact CE1-CB 4.07Å; F131-S152 VanDerWaalsContact CD1-O 3.3Å; F131-S152 WeakPolarHBondContact CD1-O 3.13Å; F131-S152 PolarHBondContact N-O 2.81Å; F131-L153 HydrophobicContact CD2-CD1 4.27Å; F131-L153 HydrophobicContact CE1-CB 4.27Å; F131-L153 HydrophobicContact CE2-CD1 3.86Å; F131-L153 HydrophobicContact CZ-CB 4.1Å; F131-L153 HydrophobicContact CZ-CD1 4.12Å; F131-C154 PolarHBondContact O-N 3.37Å; F131-L159 HydrophobicContact CE2-CD1 3.7Å; F131-L159 HydrophobicContact CZ-CD1 4.05Å; F131-M219 HydrophobicContact CE2-CE 3.84Å; F131-M219 HydrophobicContact CZ-CE 3.9Å; F131-F222 HydrophobicContact CE1-CE1 4.12Å; F131-F222 HydrophobicContact CE1-CZ 4.09Å; F131-F222 HydrophobicContact CZ-CD1 4.25Å; F131-F222 HydrophobicContact CZ-CD2 4.18Å; F131-F222 HydrophobicContact CZ-CE1 4.05Å; F131-F222 AromaticContact CZ-CE2 4Å; F131-F222 HydrophobicContact CZ-CE2 4Å; F131-F222 HydrophobicContact CZ-CG 4.32Å; F131-F222 AromaticContact CZ-CZ 3.94Å; F131-F222 HydrophobicContact CZ-CZ 3.94Å
132T89.2Confident86Confident44 Ų4434.4 Ų34.427%0.2719%0.192SC..SBendtrans-117.1-20.817654.30000112.7C154 S155T132-C154 HydrophobicContact CG2-CB 4.3Å; T132-S155 PolarHBondContact O-OG 3.21Å; T132-S155 VanDerWaalsContact O-OG 3.07Å
133D85.4Confident86Confident49 Ų4935.3 Ų35.326%0.26219%0.192SC..  trans-136.9144.7-176.473.3101.7000111.8S135 A136D133-S135 VanDerWaalsContact C-N 3.3Å; D133-S135 PolarHBondContact O-N 2.95Å; D133-S135 WeakPolarHBondContact OD1-CB 3.32Å; D133-S135 PolarHBondContact OD1-N 3.43Å; D133-S135 PolarHBondContact OD1-OG 3.2Å; D133-A136 WeakPolarHBondContact OD1-CB 3.42Å; D133-A136 PolarHBondContact OD1-N 2.97Å
134T87.5Confident86.2Confident19 Ų1935.3 Ų35.312%0.11719%0.193CC..Hα-helixtrans-71.8-25.4179.656.80000112.5L137 G138 L159 P160 E162 M219T134-L137 PolarHBondContact O-N 3.26Å; T134-G138 PolarHBondContact O-N 3.17Å; T134-L159 HydrophobicContact CG2-CB 4.16Å; T134-L159 HydrophobicContact CG2-CD1 4.1Å; T134-L159 HydrophobicContact CG2-CD2 4.13Å; T134-L159 HydrophobicContact CG2-CG 4.36Å; T134-P160 HydrophobicContact CG2-CG 4.11Å; T134-E162 PolarHBondContact OG1-OE2 2.83Å; T134-M219 HydrophobicContact CG2-CB 3.97Å; T134-M219 HydrophobicContact CG2-CE 4.05Å; T134-M219 HydrophobicContact CG2-CG 4.01Å
135S84.5Confident86.7Confident60 Ų6031.2 Ų31.242%0.4217%0.171SC..Hα-helixtrans-66.2-45.2-174.387.50000112.1D133 G138 R139D133-S135 VanDerWaalsContact C-N 3.3Å; D133-S135 PolarHBondContact O-N 2.95Å; D133-S135 WeakPolarHBondContact OD1-CB 3.32Å; D133-S135 PolarHBondContact OD1-N 3.43Å; D133-S135 PolarHBondContact OD1-OG 3.2Å; S135-G138 PolarHBondContact O-N 3.27Å; S135-R139 PolarHBondContact O-N 2.83Å; S135-R139 PolarHBondContact O-NH1 3.08Å; S135-R139 PolarHBondContact OG-NH1 3.23Å; S135-R139 PolarHBondContact OG-NH2 2.71Å; S135-R139 VanDerWaalsContact OG-NH2 3.09Å
136A82.3Confident87.3Confident5 Ų529.5 Ų29.54%0.04115%0.153CC..Hα-helixtrans-70.6-38.6178.500000110.7T82 D133 G138 R139 L140T82-A136 HydrophobicContact CG2-CB 3.92Å; D133-A136 WeakPolarHBondContact OD1-CB 3.42Å; D133-A136 PolarHBondContact OD1-N 2.97Å; A136-G138 VanDerWaalsContact C-N 3.34Å; A136-G138 PolarHBondContact O-N 3.22Å; A136-R139 VanDerWaalsContact CA-NH2 3.28Å; A136-R139 PolarHBondContact O-N 3.48Å; A136-L140 VanDerWaalsContact O-CG 3.28Å; A136-L140 WeakPolarHBondContact O-CG 3.31Å; A136-L140 PolarHBondContact O-N 2.86Å; A136-L140 VanDerWaalsContact O-N 3.14Å
137L88Confident87.4Confident1 Ų128.6 Ų28.61%0.00515%0.149CC..Hα-helixtrans-61.4-43.1174.5-167.866.6000111.8I129 F131 T134 R139 L140 L141 L151 L164 M219I129-L137 HydrophobicContact CB-CD1 4.3Å; I129-L137 HydrophobicContact CD1-CD1 4.1Å; I129-L137 HydrophobicContact CG2-CD1 3.78Å; F131-L137 HydrophobicContact CB-CD1 4.47Å; F131-L137 HydrophobicContact CD1-CD2 4.22Å; F131-L137 HydrophobicContact CD2-CB 4.45Å; F131-L137 HydrophobicContact CD2-CD2 4Å; F131-L137 HydrophobicContact CE1-CD2 4.24Å; F131-L137 HydrophobicContact CE2-CD2 3.99Å; F131-L137 HydrophobicContact CG-CD1 4.42Å; F131-L137 HydrophobicContact CG-CD2 4.11Å; F131-L137 HydrophobicContact CZ-CD2 4.12Å; T134-L137 PolarHBondContact O-N 3.26Å; L137-R139 VanDerWaalsContact C-N 3.35Å; L137-R139 PolarHBondContact O-N 3.14Å; L137-L140 PolarHBondContact O-N 3.36Å; L137-L140 VanDerWaalsContact O-N 3.08Å; L137-L141 HydrophobicContact CD1-CD1 3.68Å; L137-L141 HydrophobicContact CD1-CG 4.32Å; L137-L141 HydrophobicContact CG-CD1 4.16Å; L137-L141 PolarHBondContact O-N 2.96Å; L137-L151 HydrophobicContact CD1-CD2 3.91Å; L137-L151 HydrophobicContact CD2-CD1 4.3Å; L137-L151 HydrophobicContact CD2-CD2 4.41Å; L137-L164 HydrophobicContact CD2-CD2 4.04Å; L137-L164 HydrophobicContact CG-CD2 4.08Å; L137-M219 HydrophobicContact CD2-CE 3.56Å; L137-M219 HydrophobicContact CD2-SD 4.3Å
138G86.3Confident87.4Confident12 Ų1229.3 Ų29.312%0.12415%0.152CC..Hα-helixtrans-57.7-43.7174.600000112.8T134 S135 A136 L140 N142T134-G138 PolarHBondContact O-N 3.17Å; S135-G138 PolarHBondContact O-N 3.27Å; A136-G138 VanDerWaalsContact C-N 3.34Å; A136-G138 PolarHBondContact O-N 3.22Å; G138-L140 VanDerWaalsContact C-N 3.25Å; G138-L140 PolarHBondContact O-N 3.03Å; G138-N142 WeakPolarHBondContact O-CB 3.4Å; G138-N142 VanDerWaalsContact O-CG 3.32Å; G138-N142 PolarHBondContact O-N 3.48Å; G138-N142 PolarHBondContact O-ND2 3.45Å
139R82.3Confident87.4Confident142 Ų14228.4 Ų28.454%0.53615%0.147SC..Hα-helixtrans-64.7-28.7175.7-70.8-176.3-70.7-86.91.8113.3S135 A136 L137S135-R139 PolarHBondContact O-N 2.83Å; S135-R139 PolarHBondContact O-NH1 3.08Å; S135-R139 PolarHBondContact OG-NH1 3.23Å; S135-R139 PolarHBondContact OG-NH2 2.71Å; S135-R139 VanDerWaalsContact OG-NH2 3.09Å; A136-R139 VanDerWaalsContact CA-NH2 3.28Å; A136-R139 PolarHBondContact O-N 3.48Å; L137-R139 VanDerWaalsContact C-N 3.35Å; L137-R139 PolarHBondContact O-N 3.14Å
140L84.5Confident87.5Confident2 Ų230 Ų301%0.0115%0.154CC..Hα-helixtrans-85.4-35.2-177.4-72171.8000113.9I80 T82 I87 V118 A136 L137 G138 T144I80-L140 HydrophobicContact CG2-CD1 3.99Å; T82-L140 HydrophobicContact CG2-CD1 4.46Å; I87-L140 HydrophobicContact CD1-CD2 4.12Å; I87-L140 HydrophobicContact CD1-CG 4.47Å; I87-L140 HydrophobicContact CG2-CD2 4.44Å; V118-L140 HydrophobicContact CB-CD2 3.56Å; V118-L140 HydrophobicContact CG1-CD2 3.14Å; V118-L140 HydrophobicContact CG2-CD2 4.2Å; A136-L140 VanDerWaalsContact O-CG 3.28Å; A136-L140 WeakPolarHBondContact O-CG 3.31Å; A136-L140 PolarHBondContact O-N 2.86Å; A136-L140 VanDerWaalsContact O-N 3.14Å; L137-L140 PolarHBondContact O-N 3.36Å; L137-L140 VanDerWaalsContact O-N 3.08Å; G138-L140 VanDerWaalsContact C-N 3.25Å; G138-L140 PolarHBondContact O-N 3.03Å; L140-T144 PolarHBondContact O-OG1 3.13Å
141L87.8Confident87.5Confident0 Ų030 Ų300%015%0.154CC..Hα-helixtrans-119.3-18.4-165.5-74.3-176.7000114.7L127 I129 L137 F143 T144 V146 L149 L151 L164 A165 I166L127-L141 HydrophobicContact CD2-CD2 3.98Å; I129-L141 HydrophobicContact CD1-CD1 3.77Å; I129-L141 HydrophobicContact CD1-CD2 3.88Å; I129-L141 HydrophobicContact CD1-CG 3.79Å; L137-L141 HydrophobicContact CD1-CD1 3.68Å; L137-L141 HydrophobicContact CD1-CG 4.32Å; L137-L141 HydrophobicContact CG-CD1 4.16Å; L137-L141 PolarHBondContact O-N 2.96Å; L141-F143 PolarHBondContact O-N 3.39Å; L141-T144 WeakPolarHBondContact O-CB 3.26Å; L141-T144 PolarHBondContact O-N 2.73Å; L141-T144 PolarHBondContact O-OG1 2.89Å; L141-V146 HydrophobicContact CD2-CG2 3.92Å; L141-L149 HydrophobicContact CD1-CD1 4.1Å; L141-L149 HydrophobicContact CD1-CD2 3.76Å; L141-L149 HydrophobicContact CD2-CD1 4.41Å; L141-L151 HydrophobicContact CD1-CD2 3.99Å; L141-L164 HydrophobicContact CB-CD1 4Å; L141-L164 HydrophobicContact CB-CD2 3.88Å; L141-L164 HydrophobicContact CB-CG 4.25Å; L141-L164 HydrophobicContact CD1-CD2 3.73Å; L141-L164 HydrophobicContact CG-CD2 4.48Å; L141-A165 VanDerWaalsContact O-O 3.13Å; L141-I166 HydrophobicContact CB-CG1 4.44Å
142N86.4Confident87.6Confident45 Ų4529.9 Ų29.924%0.24115%0.153CC..THydrogen-bonded Turntrans-58.5119.4-179.5-84.2-30.9000110.5G138 T144 L164 A165G138-N142 WeakPolarHBondContact O-CB 3.4Å; G138-N142 VanDerWaalsContact O-CG 3.32Å; G138-N142 PolarHBondContact O-N 3.48Å; G138-N142 PolarHBondContact O-ND2 3.45Å; N142-T144 PolarHBondContact O-N 2.85Å; N142-L164 WeakPolarHBondContact OD1-CD1 3.28Å; N142-A165 CarbonylContact C-O 3.37Å; N142-A165 VanDerWaalsContact CA-O 3.27Å; N142-A165 WeakPolarHBondContact CA-O 3.29Å; N142-A165 PolarHBondContact OD1-N 2.89Å
143F81.3Confident87.7Confident54 Ų5427.9 Ų27.924%0.23714%0.141CC..THydrogen-bonded Turntrans57.725.7-176.9-51.2-70.6000114.7L141 A165 Y248 F252L141-F143 PolarHBondContact O-N 3.39Å; F143-A165 HydrophobicContact CD1-CB 4.15Å; F143-A165 HydrophobicContact CE1-CB 3.78Å; F143-A165 HydrophobicContact CZ-CB 4.04Å; F143-A165 PolarHBondContact N-O 3.01Å; F143-Y248 HydrophobicContact CE2-CD1 4.42Å; F143-Y248 HydrophobicContact CZ-CD1 4.4Å; F143-F252 HydrophobicContact CB-CD2 4.29Å; F143-F252 HydrophobicContact CB-CE2 4.05Å; F143-F252 AromaticContact CD1-CD2 3.28Å; F143-F252 HydrophobicContact CD1-CD2 3.28Å; F143-F252 AromaticContact CD1-CE2 3.58Å; F143-F252 HydrophobicContact CD1-CE2 3.58Å; F143-F252 HydrophobicContact CD1-CG 4.19Å; F143-F252 HydrophobicContact CD2-CD2 4.2Å; F143-F252 HydrophobicContact CE1-CB 4.04Å; F143-F252 AromaticContact CE1-CD2 3.49Å; F143-F252 HydrophobicContact CE1-CD2 3.49Å; F143-F252 VanDerWaalsContact CE1-CD2 3.49Å; F143-F252 HydrophobicContact CE1-CE2 4.21Å; F143-F252 AromaticContact CE1-CG 3.98Å; F143-F252 HydrophobicContact CE1-CG 3.98Å; F143-F252 HydrophobicContact CE2-CD2 4.37Å; F143-F252 AromaticContact CG-CD2 3.66Å; F143-F252 HydrophobicContact CG-CD2 3.66Å; F143-F252 AromaticContact CG-CE2 3.9Å; F143-F252 HydrophobicContact CG-CE2 3.9Å; F143-F252 HydrophobicContact CZ-CB 4.08Å; F143-F252 HydrophobicContact CZ-CD2 4.03Å; F143-F252 HydrophobicContact CZ-CG 4.44Å
144T85.1Confident88Confident9 Ų926.5 Ų26.56%0.05514%0.135CC..EExtended strand (participates in β ladder)trans-90.9136175.5-59.10000110.4R120 Y123 L140 L141 N142 V146 C167R120-T144 WeakPolarHBondContact O-CG2 3.36Å; Y123-T144 HydrophobicContact CD2-CG2 3.61Å; Y123-T144 HydrophobicContact CE2-CG2 3.76Å; L140-T144 PolarHBondContact O-OG1 3.13Å; L141-T144 WeakPolarHBondContact O-CB 3.26Å; L141-T144 PolarHBondContact O-N 2.73Å; L141-T144 PolarHBondContact O-OG1 2.89Å; N142-T144 PolarHBondContact O-N 2.85Å; T144-V146 HydrophobicContact CG2-CG2 3.93Å; T144-V146 PolarHBondContact O-N 3.04Å; T144-C167 WeakPolarHBondContact O-CB 3.32Å; T144-C167 PolarHBondContact O-N 2.9Å
145L86.2Confident87.9Confident64 Ų6426.3 Ų26.334%0.33514%0.135SC..EExtended strand (participates in β ladder)trans-76.7111.7177-177.868.2000110.8T121 S122 Y123 C167T121-L145 PolarHBondContact O-N 3.22Å; T121-L145 VanDerWaalsContact O-N 3.12Å; S122-L145 CarbonylContact C-O 3.59Å; S122-L145 VanDerWaalsContact CA-O 3.31Å; S122-L145 WeakPolarHBondContact CA-O 3.45Å; Y123-L145 PolarHBondContact N-O 2.93Å; L145-C167 WeakPolarHBondContact CA-O 3.44Å; L145-C167 HydrophobicContact CB-CB 4.36Å; L145-C167 HydrophobicContact CD1-CB 4.23Å
146V87.7Confident88Confident0 Ų026.8 Ų26.80%014%0.142CC..EExtended strand (participates in β ladder)trans-141.8126.5179.2-172.80000109.5Y123 L127 L141 T144 L149 I166 C167 G168 L169Y123-V146 HydrophobicContact CD2-CG2 3.92Å; L127-V146 HydrophobicContact CB-CG1 3.92Å; L127-V146 HydrophobicContact CD2-CG1 4.01Å; L127-V146 HydrophobicContact CD2-CG2 3.95Å; L141-V146 HydrophobicContact CD2-CG2 3.92Å; T144-V146 HydrophobicContact CG2-CG2 3.93Å; T144-V146 PolarHBondContact O-N 3.04Å; V146-L149 HydrophobicContact CG1-CB 3.99Å; V146-L149 HydrophobicContact CG1-CD1 4.31Å; V146-I166 HydrophobicContact CB-CG2 4.31Å; V146-C167 PolarHBondContact N-O 3.38Å; V146-G168 CarbonylContact O-C 3.52Å; V146-L169 VanDerWaalsContact O-CA 3.24Å; V146-L169 WeakPolarHBondContact O-CA 3.21Å; V146-L169 PolarHBondContact O-N 3.22Å
147Q89.5Confident88.2Confident69 Ų6931.7 Ų31.732%0.32217%0.167SC..EExtended strand (participates in β ladder)trans-90.2-47.7-177.1-68.1177.6-2.500113.4Q170 R171Q147-Q170 HydrophobicContact CB-CG 4.46Å; Q147-Q170 WeakPolarHBondContact O-CA 3.03Å; Q147-Q170 WeakPolarHBondContact O-CB 3.03Å; Q147-Q170 PolarHBondContact O-N 3.41Å; Q147-R171 PolarHBondContact O-N 3.47Å
148D91.1Very high88.2Confident17 Ų1737.1 Ų37.19%0.09120%0.201CC..EExtended strand (participates in β ladder)trans-121.1112.6176.3-168.6-12.4000108.6H126 L127 R171 R173H126-D148 IonicContact CE1-OD2 2.85Å; H126-D148 PolarHBondContact CE1-OD2 2.89Å; H126-D148 IonicContact CG-OD2 3.98Å; H126-D148 WeakPolarHBondContact ND1-CB 3.46Å; H126-D148 VanDerWaalsContact ND1-CG 3.25Å; H126-D148 IonicContact ND1-OD2 3.13Å; H126-D148 PolarHBondContact ND1-OD2 2.84Å; L127-D148 PolarHBondContact N-O 2.03Å; D148-R171 WeakPolarHBondContact CA-O 3.36Å; D148-R171 HydrophobicContact CB-CB 4.4Å; D148-R173 IonicContact OD1-NE 3.58Å; D148-R173 IonicContact OD2-NH2 3.82Å; D148-R173 PolarHBondContact OD2-NH2 3.49Å
149L93.4Very high88.3Confident0 Ų037.1 Ų37.10%020%0.198CC..EExtended strand (participates in β ladder)trans-118.9128.5-176.1-179.964.7000109.8L127 I129 L141 V146 L151 I166 L169 R171 L172 R173L127-L149 HydrophobicContact CB-CD1 4.25Å; L127-L149 HydrophobicContact CD2-CD1 4Å; L127-L149 HydrophobicContact CG-CD1 4.06Å; L127-L149 CarbonylContact O-C 3.56Å; L127-L149 WeakPolarHBondContact O-CA 3.37Å; I129-L149 HydrophobicContact CD1-CD1 4.38Å; I129-L149 HydrophobicContact CG1-CD1 4.26Å; L141-L149 HydrophobicContact CD1-CD1 4.1Å; L141-L149 HydrophobicContact CD1-CD2 3.76Å; L141-L149 HydrophobicContact CD2-CD1 4.41Å; V146-L149 HydrophobicContact CG1-CB 3.99Å; V146-L149 HydrophobicContact CG1-CD1 4.31Å; L149-L151 HydrophobicContact CD1-CD2 3.85Å; L149-L151 HydrophobicContact CD1-CG 4.36Å; L149-L151 HydrophobicContact CD2-CD1 4.04Å; L149-L151 HydrophobicContact CD2-CD2 3.99Å; L149-L151 HydrophobicContact CD2-CG 3.91Å; L149-L151 HydrophobicContact CG-CD2 3.96Å; L149-L151 HydrophobicContact CG-CG 3.92Å; L149-I166 HydrophobicContact CD2-CD1 3.55Å; L149-L169 HydrophobicContact CB-CD1 3.63Å; L149-L169 HydrophobicContact CD2-CD1 4.45Å; L149-R171 PolarHBondContact N-O 3.27Å; L149-L172 HydrophobicContact CB-CD1 4.35Å; L149-L172 HydrophobicContact CD2-CD1 4.1Å; L149-L172 HydrophobicContact CG-CD1 4.26Å; L149-L172 CarbonylContact O-C 3.59Å; L149-L172 WeakPolarHBondContact O-CA 3.25Å; L149-R173 PolarHBondContact O-N 3.29Å
150K94.2Very high88.6Confident36 Ų3632.9 Ų32.916%0.15719%0.189CC..EExtended strand (participates in β ladder)trans-111.3127.1165.5177.3173.6169168.70109.6D98 L127 T128 I129 S152 R173 E184D98-K150 VanDerWaalsContact CG-NZ 3.34Å; D98-K150 VanDerWaalsContact OD1-CE 3.25Å; D98-K150 WeakPolarHBondContact OD1-CE 3.15Å; D98-K150 IonicContact OD1-NZ 3.87Å; D98-K150 PolarHBondContact OD1-NZ 2.78Å; D98-K150 VanDerWaalsContact OD1-NZ 3.13Å; D98-K150 WeakPolarHBondContact OD2-CE 3.34Å; D98-K150 IonicContact OD2-NZ 3.31Å; D98-K150 PolarHBondContact OD2-NZ 2.87Å; L127-K150 PolarHBondContact O-N 2.96Å; T128-K150 CarbonylContact C-O 3.57Å; T128-K150 WeakPolarHBondContact CA-O 3.38Å; T128-K150 HydrophobicContact CG2-CB 4.23Å; T128-K150 HydrophobicContact CG2-CD 4.1Å; T128-K150 HydrophobicContact CG2-CG 4.11Å; I129-K150 PolarHBondContact N-O 2.03Å; K150-S152 WeakPolarHBondContact CE-OG 3.13Å; K150-R173 CarbonylContact C-O 3.56Å; K150-R173 VanDerWaalsContact CA-O 3.31Å; K150-R173 WeakPolarHBondContact CA-O 3.27Å; K150-R173 HydrophobicContact CB-CB 4.13Å; K150-R173 HydrophobicContact CG-CB 4.1Å; K150-E184 WeakPolarHBondContact CE-OE2 3.3Å; K150-E184 IonicContact NZ-OE2 3.34Å; K150-E184 PolarHBondContact NZ-OE2 3.09Å
151L94.1Very high88.5Confident0 Ų037.8 Ų37.80%022%0.219CC..EExtended strand (participates in β ladder)trans-117.3124.3177.3-65.6-178.1000110.2I129 F131 L137 L141 L149 L172 R173 I174 N175 L217 F222I129-L151 HydrophobicContact CB-CD2 3.87Å; I129-L151 HydrophobicContact CG1-CD2 4.36Å; I129-L151 WeakPolarHBondContact O-CA 3.5Å; F131-L151 HydrophobicContact CE1-CB 4.07Å; L137-L151 HydrophobicContact CD1-CD2 3.91Å; L137-L151 HydrophobicContact CD2-CD1 4.3Å; L137-L151 HydrophobicContact CD2-CD2 4.41Å; L141-L151 HydrophobicContact CD1-CD2 3.99Å; L149-L151 HydrophobicContact CD1-CD2 3.85Å; L149-L151 HydrophobicContact CD1-CG 4.36Å; L149-L151 HydrophobicContact CD2-CD1 4.04Å; L149-L151 HydrophobicContact CD2-CD2 3.99Å; L149-L151 HydrophobicContact CD2-CG 3.91Å; L149-L151 HydrophobicContact CG-CD2 3.96Å; L149-L151 HydrophobicContact CG-CG 3.92Å; L151-L172 HydrophobicContact CD1-CD1 4.28Å; L151-L172 HydrophobicContact CG-CD1 4.4Å; L151-R173 PolarHBondContact N-O 3.06Å; L151-I174 CarbonylContact O-C 3.54Å; L151-I174 VanDerWaalsContact O-CA 3.26Å; L151-I174 WeakPolarHBondContact O-CA 3.47Å; L151-N175 PolarHBondContact O-N 2.9Å; L151-L217 HydrophobicContact CD1-CD2 3.53Å; L151-F222 HydrophobicContact CB-CE1 4.23Å; L151-F222 HydrophobicContact CB-CZ 3.76Å; L151-F222 HydrophobicContact CD1-CZ 4.05Å
152S92.8Very high88.5Confident0 Ų042 Ų420%024%0.239CC..EExtended strand (participates in β ladder)trans-120.5120177-47.80000110.3D98 I129 W130 F131 K150 C154 N175D98-S152 PolarHBondContact OD1-OG 3.19Å; D98-S152 PolarHBondContact OD2-OG 3.06Å; I129-S152 PolarHBondContact O-N 3.37Å; W130-S152 WeakPolarHBondContact CA-O 3.41Å; F131-S152 VanDerWaalsContact CD1-O 3.3Å; F131-S152 WeakPolarHBondContact CD1-O 3.13Å; F131-S152 PolarHBondContact N-O 2.81Å; K150-S152 WeakPolarHBondContact CE-OG 3.13Å; S152-C154 PolarHBondContact O-N 2.89Å; S152-N175 WeakPolarHBondContact CA-O 3.17Å
153L91.6Very high88.5Confident1 Ų143.1 Ų43.11%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-81.3114.7175.817762.7000109.7F131 S155 L159 N175 A178 F222F131-L153 HydrophobicContact CD2-CD1 4.27Å; F131-L153 HydrophobicContact CE1-CB 4.27Å; F131-L153 HydrophobicContact CE2-CD1 3.86Å; F131-L153 HydrophobicContact CZ-CB 4.1Å; F131-L153 HydrophobicContact CZ-CD1 4.12Å; L153-S155 WeakPolarHBondContact CG-O 3.31Å; L153-L159 HydrophobicContact CD1-CD1 4.28Å; L153-L159 HydrophobicContact CD1-CD2 4Å; L153-L159 HydrophobicContact CD1-CG 4.44Å; L153-L159 HydrophobicContact CD2-CD1 4.26Å; L153-L159 HydrophobicContact CD2-CG 4.22Å; L153-N175 PolarHBondContact N-O 3.47Å; L153-A178 PolarHBondContact O-N 2.8Å; L153-F222 HydrophobicContact CB-CD1 3.93Å; L153-F222 HydrophobicContact CD2-CB 3.83Å
154C90.8Very high88.9Confident21 Ų2140.8 Ų40.814%0.14223%0.23CC..  trans-103.920.3-176.2-58.20000113.5C99 Y101 F131 T132 S152 A178C99-C154 WeakPolarHBondContact CA-SG 3.32Å; C99-C154 HydrophobicContact CB-CB 3.65Å; C99-C154 WeakPolarHBondContact CB-SG 3.39Å; C99-C154 WeakPolarHBondContact SG-CA 3.42Å; C99-C154 WeakPolarHBondContact SG-CB 3.36Å; C99-C154 CovalentContact SG-SG 2.03Å; C99-C154 PolarHBondContact SG-SG 3.15Å; Y101-C154 WeakPolarHBondContact OH-CB 3.35Å; F131-C154 PolarHBondContact O-N 3.37Å; T132-C154 HydrophobicContact CG2-CB 4.3Å; S152-C154 PolarHBondContact O-N 2.89Å; C154-A178 VanDerWaalsContact C-CB 3.47Å
155S86.9Confident89Confident15 Ų1540.3 Ų40.311%0.10523%0.227CC..SBendtrans-131.1149.2173.5730000111.1T132 L153 N157 A178T132-S155 PolarHBondContact O-OG 3.21Å; T132-S155 VanDerWaalsContact O-OG 3.07Å; L153-S155 WeakPolarHBondContact CG-O 3.31Å; S155-N157 PolarHBondContact O-N 3.15Å; S155-A178 VanDerWaalsContact C-CB 3.42Å; S155-A178 WeakPolarHBondContact O-CB 3.05Å
156A85.9Confident89.2Confident70 Ų7037.3 Ų37.358%0.57921%0.211SC*.SBendtrans-77.40.3174.200000112.8K179A156-K179 WeakPolarHBondContact O-CE 3.03Å
157N86.2Confident89.2Confident107 Ų10737.4 Ų37.457%0.57221%0.212SC*.SBendtrans-69.8149.8-174.3-65.6-19.8000111.4S155 K179S155-N157 PolarHBondContact O-N 3.15Å; N157-K179 WeakPolarHBondContact O-CE 3.47Å; N157-K179 PolarHBondContact O-NZ 3.04Å
158T87.8Confident89.1Confident116 Ų11634.9 Ų34.971%0.71220%0.204SC*.PPolyproline II helixtrans-75.5130.6167.849.30000109.6N223T158-N223 VanDerWaalsContact CA-OD1 3.25Å; T158-N223 WeakPolarHBondContact CA-OD1 3.49Å
159L89Confident89Confident11 Ų1134 Ų346%0.05820%0.2CC..PPolyproline II helixtrans-82.1146.7174.7-58.3-169000110.4F131 T134 L153 M219 F222 N223F131-L159 HydrophobicContact CE2-CD1 3.7Å; F131-L159 HydrophobicContact CZ-CD1 4.05Å; T134-L159 HydrophobicContact CG2-CB 4.16Å; T134-L159 HydrophobicContact CG2-CD1 4.1Å; T134-L159 HydrophobicContact CG2-CD2 4.13Å; T134-L159 HydrophobicContact CG2-CG 4.36Å; L153-L159 HydrophobicContact CD1-CD1 4.28Å; L153-L159 HydrophobicContact CD1-CD2 4Å; L153-L159 HydrophobicContact CD1-CG 4.44Å; L153-L159 HydrophobicContact CD2-CD1 4.26Å; L153-L159 HydrophobicContact CD2-CG 4.22Å; L159-M219 HydrophobicContact CD1-CE 3.99Å; L159-F222 HydrophobicContact CD1-CB 3.74Å; L159-F222 HydrophobicContact CD1-CD2 3.94Å; L159-F222 HydrophobicContact CD1-CG 4.06Å; L159-F222 HydrophobicContact CG-CB 4.44Å; L159-N223 PolarHBondContact N-ND2 2.93Å; L159-N223 PolarHBondContact N-OD1 2.61Å; L159-N223 PolarHBondContact O-ND2 3.07Å
160P87.3Confident88.9Confident54 Ų5437.3 Ų37.335%0.35122%0.215SC..PPolyproline II helixtrans-66.8158173.530.9-36.9000111.4T134 E162T134-P160 HydrophobicContact CG2-CG 4.11Å; P160-E162 HydrophobicContact CB-CG 4Å; P160-E162 HydrophobicContact CG-CB 4.46Å; P160-E162 VanDerWaalsContact CG-CD 3.46Å; P160-E162 HydrophobicContact CG-CG 3.92Å; P160-E162 WeakPolarHBondContact CG-OE2 3.33Å; P160-E162 PolarHBondContact O-N 3.1Å
161T84.4Confident88.8Confident105 Ų10540.1 Ų40.164%0.64423%0.225SC*.SBendtrans-76.877.7170.9-480000109.4A220T161-A220 HydrophobicContact CG2-CB 4.35Å
162E86Confident88.8Confident87 Ų8740.1 Ų40.141%0.40723%0.225SC..  trans-122156.7178.1-71.1173.8176.400109.7T134 P160 M219T134-E162 PolarHBondContact OG1-OE2 2.83Å; P160-E162 HydrophobicContact CB-CG 4Å; P160-E162 HydrophobicContact CG-CB 4.46Å; P160-E162 VanDerWaalsContact CG-CD 3.46Å; P160-E162 HydrophobicContact CG-CG 3.92Å; P160-E162 WeakPolarHBondContact CG-OE2 3.33Å; P160-E162 PolarHBondContact O-N 3.1Å; E162-M219 WeakPolarHBondContact O-CB 3.49Å; E162-M219 VanDerWaalsContact O-CG 3.31Å; E162-M219 WeakPolarHBondContact O-CG 3.43Å; E162-M219 PolarHBondContact O-N 3.04Å
163Y87.1Confident88.8Confident69 Ų6943.2 Ų43.227%0.27124%0.237SC..EExtended strand (participates in β ladder)trans-107.2139.6175.4-71.4-90.3000111.3F216 L217 D218 F246 Y248Y163-F216 HydrophobicContact CD1-CB 4.03Å; Y163-L217 VanDerWaalsContact CA-O 3.31Å; Y163-L217 WeakPolarHBondContact CA-O 3.43Å; Y163-D218 HydrophobicContact CD1-CB 4.26Å; Y163-D218 HydrophobicContact CE1-CB 3.76Å; Y163-F246 HydrophobicContact CD1-CE1 4.17Å; Y163-F246 HydrophobicContact CD2-CD1 4.33Å; Y163-F246 AromaticContact CD2-CE1 3.57Å; Y163-F246 HydrophobicContact CD2-CE1 3.57Å; Y163-F246 HydrophobicContact CD2-CZ 4.35Å; Y163-F246 HydrophobicContact CE1-CE1 4.23Å; Y163-F246 AromaticContact CE2-CE1 3.65Å; Y163-F246 HydrophobicContact CE2-CE1 3.65Å; Y163-F246 AromaticContact CE2-CZ 3.96Å; Y163-F246 HydrophobicContact CE2-CZ 3.96Å; Y163-F246 AromaticContact CG-CE1 3.83Å; Y163-F246 HydrophobicContact CG-CE1 3.83Å; Y163-F246 AromaticContact CZ-CE1 3.98Å; Y163-Y248 WeakPolarHBondContact O-CE2 3.31Å; Y163-Y248 PolarHBondContact O-OH 2.91Å
164L89.5Confident88.9Confident5 Ų543.3 Ų43.33%0.02624%0.237CC..EExtended strand (participates in β ladder)trans-103.4131168.1-176.575000109.3L137 L141 N142 I166 F216 L217 M219L137-L164 HydrophobicContact CD2-CD2 4.04Å; L137-L164 HydrophobicContact CG-CD2 4.08Å; L141-L164 HydrophobicContact CB-CD1 4Å; L141-L164 HydrophobicContact CB-CD2 3.88Å; L141-L164 HydrophobicContact CB-CG 4.25Å; L141-L164 HydrophobicContact CD1-CD2 3.73Å; L141-L164 HydrophobicContact CG-CD2 4.48Å; N142-L164 WeakPolarHBondContact OD1-CD1 3.28Å; L164-I166 HydrophobicContact CD2-CD1 3.81Å; L164-I166 HydrophobicContact CD2-CG1 3.99Å; L164-I166 HydrophobicContact CG-CD1 4.35Å; L164-I166 HydrophobicContact CG-CG1 4.1Å; L164-F216 WeakPolarHBondContact O-CA 3.24Å; L164-L217 HydrophobicContact CB-CB 4.3Å; L164-L217 PolarHBondContact N-O 2.86Å; L164-L217 PolarHBondContact O-N 3.15Å; L164-M219 HydrophobicContact CB-SD 3.89Å
165A87.8Confident88.8Confident0 Ų043 Ų430%023%0.234CC..EExtended strand (participates in β ladder)trans-101.6116.7-179.800000110.6L141 N142 F143 S215 F216L141-A165 VanDerWaalsContact O-O 3.13Å; N142-A165 CarbonylContact C-O 3.37Å; N142-A165 VanDerWaalsContact CA-O 3.27Å; N142-A165 WeakPolarHBondContact CA-O 3.29Å; N142-A165 PolarHBondContact OD1-N 2.89Å; F143-A165 HydrophobicContact CD1-CB 4.15Å; F143-A165 HydrophobicContact CE1-CB 3.78Å; F143-A165 HydrophobicContact CZ-CB 4.04Å; F143-A165 PolarHBondContact N-O 3.01Å; A165-S215 CarbonylContact C-O 3.59Å; A165-S215 WeakPolarHBondContact CA-O 3.34Å; A165-F216 HydrophobicContact CB-CD1 4.2Å; A165-F216 HydrophobicContact CB-CE1 3.71Å; A165-F216 HydrophobicContact CB-CZ 4.21Å
166I89.9Confident88.7Confident0 Ų042.6 Ų42.60%023%0.231CC..EExtended strand (participates in β ladder)trans-120140.1-176.6-57.5157.9000110L141 V146 L149 L164 L169 S215L141-I166 HydrophobicContact CB-CG1 4.44Å; V146-I166 HydrophobicContact CB-CG2 4.31Å; L149-I166 HydrophobicContact CD2-CD1 3.55Å; L164-I166 HydrophobicContact CD2-CD1 3.81Å; L164-I166 HydrophobicContact CD2-CG1 3.99Å; L164-I166 HydrophobicContact CG-CD1 4.35Å; L164-I166 HydrophobicContact CG-CG1 4.1Å; I166-L169 HydrophobicContact CD1-CD2 4.22Å; I166-L169 HydrophobicContact CG2-CB 4.2Å; I166-L169 HydrophobicContact CG2-CD1 4.35Å; I166-S215 PolarHBondContact N-O 3.39Å; I166-S215 PolarHBondContact O-N 2.96Å
167C87.1Confident88.3Confident3 Ų341.9 Ų41.92%0.0222%0.215CC..EExtended strand (participates in β ladder)trans-95.7135.8179.7-68.60000112.2T144 L145 V146 L169 C211 Y213T144-C167 WeakPolarHBondContact O-CB 3.32Å; T144-C167 PolarHBondContact O-N 2.9Å; L145-C167 WeakPolarHBondContact CA-O 3.44Å; L145-C167 HydrophobicContact CB-CB 4.36Å; L145-C167 HydrophobicContact CD1-CB 4.23Å; V146-C167 PolarHBondContact N-O 3.38Å; C167-L169 VanDerWaalsContact C-N 3.28Å; C167-L169 PolarHBondContact O-N 3.26Å; C167-C211 WeakPolarHBondContact CA-SG 3.28Å; C167-C211 HydrophobicContact CB-CB 3.69Å; C167-C211 WeakPolarHBondContact CB-SG 3.2Å; C167-C211 WeakPolarHBondContact SG-CB 3.44Å; C167-C211 CovalentContact SG-SG 2Å; C167-C211 PolarHBondContact SG-SG 2.83Å; C167-Y213 WeakPolarHBondContact CA-O 3.39Å
168G87.3Confident87.5Confident15 Ų1538.7 Ų38.716%0.15520%0.204CC..SBendtrans68.121.8168.300000115.6V146 Q170 Y213V146-G168 CarbonylContact O-C 3.52Å; G168-Q170 PolarHBondContact O-N 3.46Å; G168-Y213 PolarHBondContact N-O 2.93Å
169L90.4Very high86.3Confident0 Ų035.7 Ų35.70%018%0.181CC..  trans-66.6122.4-178.1-167.164.8000111V146 L149 I166 C167 R171 L172 I189 I265V146-L169 VanDerWaalsContact O-CA 3.24Å; V146-L169 WeakPolarHBondContact O-CA 3.21Å; V146-L169 PolarHBondContact O-N 3.22Å; L149-L169 HydrophobicContact CB-CD1 3.63Å; L149-L169 HydrophobicContact CD2-CD1 4.45Å; I166-L169 HydrophobicContact CD1-CD2 4.22Å; I166-L169 HydrophobicContact CG2-CB 4.2Å; I166-L169 HydrophobicContact CG2-CD1 4.35Å; C167-L169 VanDerWaalsContact C-N 3.28Å; C167-L169 PolarHBondContact O-N 3.26Å; L169-R171 WeakPolarHBondContact CD1-O 2.95Å; L169-L172 HydrophobicContact CD2-CB 4.17Å; L169-I189 HydrophobicContact CB-CD1 4.15Å; L169-I189 HydrophobicContact CD2-CD1 3.73Å; L169-I189 HydrophobicContact CG-CD1 3.81Å; L169-I265 HydrophobicContact CD2-CD1 3.96Å
170Q91Very high85.2Confident69 Ų6940.2 Ų40.232%0.32220%0.202SC..  trans-105.8-38.9176.4-63.7179.7-3.100111.1Q147 G168 I189Q147-Q170 HydrophobicContact CB-CG 4.46Å; Q147-Q170 WeakPolarHBondContact O-CA 3.03Å; Q147-Q170 WeakPolarHBondContact O-CB 3.03Å; Q147-Q170 PolarHBondContact O-N 3.41Å; G168-Q170 PolarHBondContact O-N 3.46Å; Q170-I189 PolarHBondContact O-N 3.03Å
171R92Very high84Confident95 Ų9543.7 Ų43.736%0.35822%0.224SC..EExtended strand (participates in β ladder)trans-134.3132179.1-174.1-179-59.8-158.1-1.7110.2Q147 D148 L149 L169 R173 L187 L188Q147-R171 PolarHBondContact O-N 3.47Å; D148-R171 WeakPolarHBondContact CA-O 3.36Å; D148-R171 HydrophobicContact CB-CB 4.4Å; L149-R171 PolarHBondContact N-O 3.27Å; L169-R171 WeakPolarHBondContact CD1-O 2.95Å; R171-R173 HydrophobicContact CG-CG 4.4Å; R171-L187 WeakPolarHBondContact CA-O 3.49Å; R171-L188 HydrophobicContact CB-CD1 4.37Å
172L94.4Very high83.1Confident0 Ų041.9 Ų41.90%021%0.208CC..EExtended strand (participates in β ladder)trans-116.9132.6170.3179.466.1000109.3L149 L151 L169 I174 S186 L187 L217 L228 I265L149-L172 HydrophobicContact CB-CD1 4.35Å; L149-L172 HydrophobicContact CD2-CD1 4.1Å; L149-L172 HydrophobicContact CG-CD1 4.26Å; L149-L172 CarbonylContact O-C 3.59Å; L149-L172 WeakPolarHBondContact O-CA 3.25Å; L151-L172 HydrophobicContact CD1-CD1 4.28Å; L151-L172 HydrophobicContact CG-CD1 4.4Å; L169-L172 HydrophobicContact CD2-CB 4.17Å; L172-I174 HydrophobicContact CD1-CG2 4.32Å; L172-I174 HydrophobicContact CD2-CG2 4.17Å; L172-I174 HydrophobicContact CG-CG2 4.09Å; L172-S186 CarbonylContact O-C 3.57Å; L172-S186 WeakPolarHBondContact O-CA 3.26Å; L172-L187 PolarHBondContact N-O 3.46Å; L172-L187 PolarHBondContact O-N 2.94Å; L172-L217 HydrophobicContact CD2-CD1 3.49Å; L172-L217 VanDerWaalsContact CD2-CD1 3.49Å; L172-L217 HydrophobicContact CD2-CD2 4.37Å; L172-L228 HydrophobicContact CD2-CD1 4.48Å; L172-I265 HydrophobicContact CD2-CD1 4.05Å; L172-I265 HydrophobicContact CD2-CG2 3.93Å
173R93.4Very high82.6Confident64 Ų6442.7 Ų42.724%0.24222%0.22CC..EExtended strand (participates in β ladder)trans-120.5140166.2-52.3-174.3-146.8-179.33109.5D148 L149 K150 L151 R171 E184 Q185D148-R173 IonicContact OD1-NE 3.58Å; D148-R173 IonicContact OD2-NH2 3.82Å; D148-R173 PolarHBondContact OD2-NH2 3.49Å; L149-R173 PolarHBondContact O-N 3.29Å; K150-R173 CarbonylContact C-O 3.56Å; K150-R173 VanDerWaalsContact CA-O 3.31Å; K150-R173 WeakPolarHBondContact CA-O 3.27Å; K150-R173 HydrophobicContact CB-CB 4.13Å; K150-R173 HydrophobicContact CG-CB 4.1Å; L151-R173 PolarHBondContact N-O 3.06Å; R171-R173 HydrophobicContact CG-CG 4.4Å; R173-E184 HydrophobicContact CB-CG 4.25Å; R173-E184 WeakPolarHBondContact CD-OE1 3.38Å; R173-E184 IonicContact NH1-OE1 3.13Å; R173-Q185 CarbonylContact C-O 3.56Å; R173-Q185 WeakPolarHBondContact CA-O 3.07Å
174I91.9Very high82.5Confident4 Ų443.2 Ų43.22%0.02123%0.225CC..EExtended strand (participates in β ladder)trans-126.1144.2175.768172.1000110.5L151 L172 E184 Q185 L221 F222 L228L151-I174 CarbonylContact O-C 3.54Å; L151-I174 VanDerWaalsContact O-CA 3.26Å; L151-I174 WeakPolarHBondContact O-CA 3.47Å; L172-I174 HydrophobicContact CD1-CG2 4.32Å; L172-I174 HydrophobicContact CD2-CG2 4.17Å; L172-I174 HydrophobicContact CG-CG2 4.09Å; I174-E184 WeakPolarHBondContact O-CA 3.46Å; I174-Q185 HydrophobicContact CD1-CB 4.35Å; I174-Q185 HydrophobicContact CG1-CB 3.84Å; I174-Q185 HydrophobicContact CG1-CG 4.4Å; I174-Q185 PolarHBondContact N-O 3.09Å; I174-Q185 PolarHBondContact O-N 3.32Å; I174-L221 HydrophobicContact CD1-CD1 3.37Å; I174-L221 HydrophobicContact CG2-CD1 4.32Å; I174-F222 HydrophobicContact CB-CE1 3.8Å; I174-F222 HydrophobicContact CB-CZ 4.13Å; I174-F222 HydrophobicContact CG2-CE1 3.95Å; I174-F222 HydrophobicContact CG2-CZ 3.72Å; I174-L228 HydrophobicContact CD1-CD1 3.84Å; I174-L228 HydrophobicContact CD1-CD2 3.67Å; I174-L228 HydrophobicContact CD1-CG 3.59Å; I174-L228 HydrophobicContact CG1-CD1 3.77Å; I174-L228 HydrophobicContact CG1-CD2 4.47Å; I174-L228 HydrophobicContact CG1-CG 4.1Å; I174-L228 HydrophobicContact CG2-CD1 4.23Å
175N89.3Confident82.5Confident14 Ų1444.7 Ų44.78%0.07523%0.232CC..EExtended strand (participates in β ladder)trans-133.6145168.9-170.512.6000110.2D98 L151 S152 L153 E177D98-N175 WeakPolarHBondContact OD2-CB 3.42Å; D98-N175 PolarHBondContact OD2-ND2 3.12Å; L151-N175 PolarHBondContact O-N 2.9Å; S152-N175 WeakPolarHBondContact CA-O 3.17Å; L153-N175 PolarHBondContact N-O 3.47Å; N175-E177 PolarHBondContact ND2-OE2 3.19Å; N175-E177 VanDerWaalsContact ND2-OE2 3.17Å; N175-E177 PolarHBondContact OD1-N 2.88Å
176M85.5Confident82.6Confident7 Ų748 Ų483%0.03426%0.256CS..  trans-119.642.6-178.6-68.2-176.8-81.200111.4A178 K179 H180 F182 F222 R224M176-A178 PolarHBondContact O-N 3.34Å; M176-K179 PolarHBondContact O-N 3.48Å; M176-H180 PolarHBondContact O-N 3.38Å; M176-F182 HydrophobicContact CE-CD2 4.48Å; M176-F222 HydrophobicContact CG-CB 4.5Å; M176-F222 HydrophobicContact CG-CD1 4.02Å; M176-F222 HydrophobicContact SD-CB 4.48Å; M176-R224 WeakPolarHBondContact CE-O 3.48Å
177E76.8Confident82.6Confident54 Ų5449.2 Ų49.225%0.25226%0.262SS..THydrogen-bonded Turntrans-46.6-39.3-171.9-170.375.2-167.500113.7R97 C99 N175 K179R97-E177 IonicContact CZ-OE1 3.86Å; R97-E177 IonicContact NE-OE1 2.71Å; R97-E177 PolarHBondContact NE-OE1 2.78Å; R97-E177 IonicContact NH2-OE1 2.73Å; R97-E177 PolarHBondContact NH2-OE1 3.06Å; C99-E177 HydrophobicContact CB-CG 4.31Å; N175-E177 PolarHBondContact ND2-OE2 3.19Å; N175-E177 VanDerWaalsContact ND2-OE2 3.17Å; N175-E177 PolarHBondContact OD1-N 2.88Å; E177-K179 PolarHBondContact O-N 3.25Å
178A69.7Low82.7Confident41 Ų4153.5 Ų53.534%0.33928%0.284SS..THydrogen-bonded Turntrans-77.2-17.6-174.400000115.5L153 C154 S155 M176L153-A178 PolarHBondContact O-N 2.8Å; C154-A178 VanDerWaalsContact C-CB 3.47Å; S155-A178 VanDerWaalsContact C-CB 3.42Å; S155-A178 WeakPolarHBondContact O-CB 3.05Å; M176-A178 PolarHBondContact O-N 3.34Å
179K63.5Low82.6Confident53 Ų5353.9 Ų53.923%0.2328%0.282CS..THydrogen-bonded Turntrans-100.4-49.1-179.2-74.9-176.4-178.6164.90111.9A156 N157 M176 E177 F222 N223A156-K179 WeakPolarHBondContact O-CE 3.03Å; N157-K179 WeakPolarHBondContact O-CE 3.47Å; N157-K179 PolarHBondContact O-NZ 3.04Å; M176-K179 PolarHBondContact O-N 3.48Å; E177-K179 PolarHBondContact O-N 3.25Å; K179-F222 PolarHBondContact NZ-O 3.3Å; K179-N223 PolarHBondContact NZ-OD1 3.29Å
180H64.8Low81.8Confident105 Ų10556.6 Ų56.649%0.48630%0.295SS..  trans-155.5150.1178-59.491.4000108.5M176 F182M176-H180 PolarHBondContact O-N 3.38Å; H180-F182 HydrophobicContact CB-CD2 3.54Å; H180-F182 HydrophobicContact CB-CE2 3.64Å; H180-F182 AromaticContact CG-CE2 3.89Å; H180-F182 AromaticContact ND1-CE2 3.95Å; H180-F182 PolarHBondContact O-N 3Å
181P62.8Low80.1Confident128 Ų12857.1 Ų57.183%0.83131%0.306SS*.  trans-71.664.6168.530.9-33.2000109.9
182F65.6Low78.2Confident67 Ų6757.2 Ų57.229%0.29433%0.327SS..PPolyproline II helixtrans-71.3141.1165.4-85.9-75.7000108.5M176 H180 E184 D225M176-F182 HydrophobicContact CE-CD2 4.48Å; H180-F182 HydrophobicContact CB-CD2 3.54Å; H180-F182 HydrophobicContact CB-CE2 3.64Å; H180-F182 AromaticContact CG-CE2 3.89Å; H180-F182 AromaticContact ND1-CE2 3.95Å; H180-F182 PolarHBondContact O-N 3Å; F182-E184 PolarHBondContact O-N 3.36Å; F182-D225 HydrophobicContact CE1-CB 4.13Å; F182-D225 HydrophobicContact CE2-CB 4.17Å; F182-D225 WeakPolarHBondContact CE2-OD1 3.38Å; F182-D225 HydrophobicContact CZ-CB 3.64Å; F182-D225 WeakPolarHBondContact CZ-OD1 3.23Å
183P74.5Confident75.6Confident103 Ų10360.5 Ų60.567%0.66936%0.361SS*.PPolyproline II helixtrans-59.9141174.726-33000109.8Q185P183-Q185 PolarHBondContact O-N 3.4Å
184E86.2Confident73.1Confident80 Ų8064.7 Ų64.737%0.37439%0.388SS..PPolyproline II helixtrans-49.1126.8171.6179.8-179.8108.800109.3K150 R173 I174 F182K150-E184 WeakPolarHBondContact CE-OE2 3.3Å; K150-E184 IonicContact NZ-OE2 3.34Å; K150-E184 PolarHBondContact NZ-OE2 3.09Å; R173-E184 HydrophobicContact CB-CG 4.25Å; R173-E184 WeakPolarHBondContact CD-OE1 3.38Å; R173-E184 IonicContact NH1-OE1 3.13Å; I174-E184 WeakPolarHBondContact O-CA 3.46Å; F182-E184 PolarHBondContact O-N 3.36Å
185Q88.3Confident70.8Confident36 Ų3668.3 Ų68.317%0.16841%0.414CS..EExtended strand (participates in β ladder)trans-98.4136.9175.5-54.2-173.540.400109.1R173 I174 P183 S226 S227 L228R173-Q185 CarbonylContact C-O 3.56Å; R173-Q185 WeakPolarHBondContact CA-O 3.07Å; I174-Q185 HydrophobicContact CD1-CB 4.35Å; I174-Q185 HydrophobicContact CG1-CB 3.84Å; I174-Q185 HydrophobicContact CG1-CG 4.4Å; I174-Q185 PolarHBondContact N-O 3.09Å; I174-Q185 PolarHBondContact O-N 3.32Å; P183-Q185 PolarHBondContact O-N 3.4Å; Q185-S226 PolarHBondContact NE2-O 3.04Å; Q185-S227 VanDerWaalsContact OE1-CA 3.27Å; Q185-L228 HydrophobicContact CB-CD1 3.97Å; Q185-L228 HydrophobicContact CB-CG 4.23Å
186S91Very high68.4Low71 Ų7175.8 Ų75.850%0.49745%0.454SS..EExtended strand (participates in β ladder)trans-125130.6178.8177.90000110.3L172L172-S186 CarbonylContact O-C 3.57Å; L172-S186 WeakPolarHBondContact O-CA 3.26Å
187L89.8Confident66.1Low24 Ų2479.4 Ų79.413%0.12648%0.48CS..EExtended strand (participates in β ladder)trans-119.2125.8175.5178.471000109.3R171 L172 I189 L228 I265R171-L187 WeakPolarHBondContact CA-O 3.49Å; L172-L187 PolarHBondContact N-O 3.46Å; L172-L187 PolarHBondContact O-N 2.94Å; L187-I189 HydrophobicContact CD2-CG1 4.15Å; L187-I189 HydrophobicContact CG-CG1 4.27Å; L187-L228 HydrophobicContact CB-CB 4.39Å; L187-L228 HydrophobicContact CB-CD1 3.98Å; L187-I265 HydrophobicContact CD2-CD1 4.4Å; L187-I265 HydrophobicContact CD2-CG1 4.27Å; L187-I265 HydrophobicContact CD2-CG2 3.82Å
188L89.4Confident64.2Low93 Ų9389 Ų8949%0.48751%0.514SS..EExtended strand (participates in β ladder)trans-100.8117.6171-173.373.5000108.3R171R171-L188 HydrophobicContact CB-CD1 4.37Å
189I84.7Confident62.6Low24 Ų2494.7 Ų94.712%0.12353%0.534CS..  trans-91.7-45.2-175.4-55.6171.6000110.4L169 Q170 L187 T263 I265L169-I189 HydrophobicContact CB-CD1 4.15Å; L169-I189 HydrophobicContact CD2-CD1 3.73Å; L169-I189 HydrophobicContact CG-CD1 3.81Å; Q170-I189 PolarHBondContact O-N 3.03Å; L187-I189 HydrophobicContact CD2-CG1 4.15Å; L187-I189 HydrophobicContact CG-CG1 4.27Å; I189-T263 HydrophobicContact CD1-CG2 4.44Å; I189-T263 HydrophobicContact CG2-CG2 3.8Å; I189-I265 HydrophobicContact CD1-CD1 3.66Å
190H72.5Confident61.2Low56 Ų56101.6 Ų101.626%0.25956%0.563SS.*  trans-130.7127.1178.3-66.7-68.6000109.7Y213H190-Y213 AromaticContact CD2-CD1 3.99Å; H190-Y213 AromaticContact CE1-CD1 3.83Å; H190-Y213 AromaticContact CE1-CE1 3.87Å; H190-Y213 AromaticContact NE2-CD1 3.36Å; H190-Y213 WeakPolarHBondContact NE2-CD1 3.28Å; H190-Y213 AromaticContact NE2-CE1 3.87Å
191S57.1Low60Low80 Ų80100.6 Ų100.656%0.55957%0.566SS**  trans-91.6131.8170.1-174.80000108.8G193S191-G193 PolarHBondContact O-N 3.29Å
192A51.3Low58.5Low97 Ų97101.2 Ų101.280%0.80256%0.56SS**THydrogen-bonded Turntrans-63.5-1.2178.100000114.2
193G40.4Very low57.5Low69 Ų69106.7 Ų106.771%0.71158%0.579SS**THydrogen-bonded Turntrans-103.9-0.2-174.600000116.5S191S191-G193 PolarHBondContact O-N 3.29Å
194D40.8Very low55.5Low152 Ų152108.6 Ų108.681%0.81358%0.583SS**  trans-103.518.7-173.9-138.910000113.7D196D194-D196 PolarHBondContact O-N 2.93Å
195S43.4Very low53Low80 Ų80110.8 Ų110.856%0.55959%0.593SS**  trans-89.478.3173.171.40000110.5S197S195-S197 PolarHBondContact O-N 2.88Å
196D37.5Very low50.5Low171 Ų171120 Ų12091%0.91463%0.632SS**  trans-76.24.2162.9-123.2-5000111.9D194D194-D196 PolarHBondContact O-N 2.93Å
197S38.8Very low47.9Very low84 Ų84119.1 Ų119.159%0.58763%0.634SS**SBendtrans-94.3128.3168.359.30000110.6S195 E199S195-S197 PolarHBondContact O-N 2.88Å; S197-E199 PolarHBondContact O-N 3.18Å
198R37.3Very low45.7Very low255 Ų255127.3 Ų127.396%0.96266%0.663SS**SBendtrans-67.753.1177.1-67.6-177.3167.1-154.1-1113.6
199E35.8Very low43.9Very low161 Ų161128.8 Ų128.875%0.75267%0.668SS**  trans-133.887.8164.9-76.2-169163.900108.9S197 P201S197-E199 PolarHBondContact O-N 3.18Å; E199-P201 WeakPolarHBondContact O-CD 3.03Å; E199-P201 VanDerWaalsContact O-N 3.1Å
200K34Very low42.8Very low197 Ų197128 Ų12886%0.85766%0.664SS**  trans-53.1114.5158.4-138.5175.9-171.7176.60105.6M202K200-M202 PolarHBondContact O-N 3.45Å
201P39.5Very low42.9Very low84 Ų84126.2 Ų126.255%0.54566%0.658SS.*  trans-60.1119.8177.9-17.229000106.1E199 W203E199-P201 WeakPolarHBondContact O-CD 3.03Å; E199-P201 VanDerWaalsContact O-N 3.1Å; P201-W203 VanDerWaalsContact C-N 3.26Å; P201-W203 PolarHBondContact O-N 2.98Å; P201-W203 PolarHBondContact O-NE1 3.07Å
202M30.7Very low43.8Very low141 Ų141124.8 Ų124.870%0.69564%0.643SS**  trans-70.889.4-177.1-157.9153.9108.700107.1K200 L204 H205K200-M202 PolarHBondContact O-N 3.45Å; M202-L204 PolarHBondContact O-N 3.28Å; M202-H205 WeakPolarHBondContact CE-NE2 3.35Å
203W43.8Very low45.4Very low183 Ų183125.3 Ų125.369%0.69363%0.625SS**  trans-69.731-178.4-68.996.8000113.3P201P201-W203 VanDerWaalsContact C-N 3.26Å; P201-W203 PolarHBondContact O-N 2.98Å; P201-W203 PolarHBondContact O-NE1 3.07Å
204L34.3Very low47.6Very low143 Ų143122.1 Ų122.175%0.74959%0.591SS**  trans-142.753.2-164.9-108164.2000111.8M202M202-L204 PolarHBondContact O-N 3.28Å
205H32.3Very low49.9Very low126 Ų126114.9 Ų114.958%0.58355%0.553SS**  trans-139.3124.6158.1-76.8-63.9000112.4M202 G207M202-H205 WeakPolarHBondContact CE-NE2 3.35Å; H205-G207 PolarHBondContact O-N 3.28Å
206K36.3Very low52.2Low229 Ų229111.1 Ų111.1100%0.99653%0.526SS*.SBendtrans-66.489.1177.3-162.9178.7-173.2-175.90108.7
207G35.2Very low54.8Low52 Ų52103 Ų10354%0.53648%0.483SS..SBendtrans150112.9177.200000111.1H205 Q209H205-G207 PolarHBondContact O-N 3.28Å; G207-Q209 PolarHBondContact O-N 2.82Å
208W45Very low57.3Low196 Ų19699.3 Ų99.374%0.74246%0.457SS*.  trans14.274.4163.7-162-64.1000115.3P210W208-P210 VanDerWaalsContact O-CD 3.31Å; W208-P210 WeakPolarHBondContact O-CD 3.3Å
209Q51.3Low59.8Low125 Ų12587.4 Ų87.458%0.58441%0.412SS*.  trans-79.6103.9159.9-72.6-68.9-15.200105.2G207 C211G207-Q209 PolarHBondContact O-N 2.82Å; Q209-C211 PolarHBondContact O-N 3.17Å
210P61Low62.3Low8 Ų879.9 Ų79.95%0.05238%0.378CS..  trans-71.5132.5-160.727.4-29.8000108.8W208 M212 P255 K258W208-P210 VanDerWaalsContact O-CD 3.31Å; W208-P210 WeakPolarHBondContact O-CD 3.3Å; P210-M212 VanDerWaalsContact C-N 3.28Å; P210-M212 HydrophobicContact CG-CE 3.61Å; P210-M212 HydrophobicContact CG-SD 4.31Å; P210-M212 VanDerWaalsContact O-CG 3.28Å; P210-M212 WeakPolarHBondContact O-CG 3.46Å; P210-M212 PolarHBondContact O-N 2.79Å; P210-P255 HydrophobicContact CG-CG 4.4Å; P210-K258 HydrophobicContact CG-CD 4.33Å
211C74.6Confident65Low17 Ų1770.8 Ų70.812%0.11534%0.338CS..  trans-7.772.7152-170.70000116.1C167 Q209 Y213 I214 F252 Y260C167-C211 WeakPolarHBondContact CA-SG 3.28Å; C167-C211 HydrophobicContact CB-CB 3.69Å; C167-C211 WeakPolarHBondContact CB-SG 3.2Å; C167-C211 WeakPolarHBondContact SG-CB 3.44Å; C167-C211 CovalentContact SG-SG 2Å; C167-C211 PolarHBondContact SG-SG 2.83Å; Q209-C211 PolarHBondContact O-N 3.17Å; C211-Y213 VanDerWaalsContact C-N 3.31Å; C211-I214 VanDerWaalsContact SG-CG1 3.53Å; C211-F252 HydrophobicContact CB-CZ 4.27Å; C211-Y260 WeakPolarHBondContact O-CD1 3.4Å
212M77.3Confident67.3Low51 Ų5166.8 Ų66.825%0.25131%0.312SS..  trans-75.4-28.5-179.5-63.5-55.4175.200111.3P210 K258 Y260 V261P210-M212 VanDerWaalsContact C-N 3.28Å; P210-M212 HydrophobicContact CG-CE 3.61Å; P210-M212 HydrophobicContact CG-SD 4.31Å; P210-M212 VanDerWaalsContact O-CG 3.28Å; P210-M212 WeakPolarHBondContact O-CG 3.46Å; P210-M212 PolarHBondContact O-N 2.79Å; M212-K258 HydrophobicContact CE-CD 3.37Å; M212-K258 HydrophobicContact SD-CB 4.3Å; M212-K258 HydrophobicContact SD-CD 4.16Å; M212-Y260 WeakPolarHBondContact O-CA 3.46Å; M212-Y260 HydrophobicContact SD-CD1 4.41Å; M212-Y260 HydrophobicContact SD-CE1 4.01Å; M212-V261 PolarHBondContact O-N 3.37Å
213Y84.6Confident70Confident108 Ų10862.6 Ų62.642%0.42429%0.292SS..EExtended strand (participates in β ladder)trans-105.6113.3177.4-58.6-90.7000107.6C167 G168 H190 C211 V261C167-Y213 WeakPolarHBondContact CA-O 3.39Å; G168-Y213 PolarHBondContact N-O 2.93Å; H190-Y213 AromaticContact CD2-CD1 3.99Å; H190-Y213 AromaticContact CE1-CD1 3.83Å; H190-Y213 AromaticContact CE1-CE1 3.87Å; H190-Y213 AromaticContact NE2-CD1 3.36Å; H190-Y213 WeakPolarHBondContact NE2-CD1 3.28Å; H190-Y213 AromaticContact NE2-CE1 3.87Å; C211-Y213 VanDerWaalsContact C-N 3.31Å; Y213-V261 WeakPolarHBondContact CA-O 3.28Å; Y213-V261 HydrophobicContact CD1-CB 3.59Å; Y213-V261 HydrophobicContact CD1-CG1 4.03Å; Y213-V261 HydrophobicContact CD1-CG2 3.92Å; Y213-V261 HydrophobicContact CE1-CB 3.92Å; Y213-V261 HydrophobicContact CE1-CG1 4.37Å; Y213-V261 HydrophobicContact CE1-CG2 3.68Å; Y213-V261 HydrophobicContact CG-CB 4.46Å
214I86.1Confident71.6Confident1 Ų159 Ų591%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-115.2124179-54.6174.5000108C211 F216 I239 M254 Y260 V261 V262 T263C211-I214 VanDerWaalsContact SG-CG1 3.53Å; I214-F216 HydrophobicContact CB-CE2 4.19Å; I214-F216 HydrophobicContact CG2-CD2 4.14Å; I214-F216 HydrophobicContact CG2-CE2 3.36Å; I214-F216 HydrophobicContact CG2-CZ 3.61Å; I214-I239 HydrophobicContact CD1-CD1 4.02Å; I214-M254 HydrophobicContact CD1-CE 3.68Å; I214-M254 HydrophobicContact CD1-SD 4.43Å; I214-Y260 HydrophobicContact CD1-CD1 4.33Å; I214-V261 PolarHBondContact N-O 3.48Å; I214-V262 CarbonylContact O-C 3.53Å; I214-V262 WeakPolarHBondContact O-CA 3.18Å; I214-T263 PolarHBondContact O-N 3.22Å
215S89.8Confident73.5Confident1 Ų157.2 Ų57.21%0.00727%0.27CS..EExtended strand (participates in β ladder)trans-106124.7174.2-66.10000110.6A165 I166 T263A165-S215 CarbonylContact C-O 3.59Å; A165-S215 WeakPolarHBondContact CA-O 3.34Å; I166-S215 PolarHBondContact N-O 3.39Å; I166-S215 PolarHBondContact O-N 2.96Å; S215-T263 CarbonylContact C-O 3.54Å; S215-T263 VanDerWaalsContact CA-O 3.31Å; S215-T263 WeakPolarHBondContact CA-O 3.31Å
216F90.4Very high75.7Confident0 Ų053.6 Ų53.60%026%0.259CS..EExtended strand (participates in β ladder)trans-98.7114.3171.3-70.8-82.9000109.4Y163 L164 A165 I214 F249 V262 T263 F264 I265Y163-F216 HydrophobicContact CD1-CB 4.03Å; L164-F216 WeakPolarHBondContact O-CA 3.24Å; A165-F216 HydrophobicContact CB-CD1 4.2Å; A165-F216 HydrophobicContact CB-CE1 3.71Å; A165-F216 HydrophobicContact CB-CZ 4.21Å; I214-F216 HydrophobicContact CB-CE2 4.19Å; I214-F216 HydrophobicContact CG2-CD2 4.14Å; I214-F216 HydrophobicContact CG2-CE2 3.36Å; I214-F216 HydrophobicContact CG2-CZ 3.61Å; F216-F249 HydrophobicContact CD2-CE1 4.5Å; F216-F249 HydrophobicContact CD2-CZ 4.01Å; F216-F249 HydrophobicContact CE1-CE1 4.03Å; F216-F249 AromaticContact CE1-CZ 3.8Å; F216-F249 HydrophobicContact CE1-CZ 3.8Å; F216-F249 AromaticContact CE2-CE1 3.31Å; F216-F249 HydrophobicContact CE2-CE1 3.31Å; F216-F249 HydrophobicContact CE2-CE2 4.41Å; F216-F249 AromaticContact CE2-CZ 3.18Å; F216-F249 HydrophobicContact CE2-CZ 3.18Å; F216-F249 HydrophobicContact CZ-CD1 4.02Å; F216-F249 AromaticContact CZ-CE1 3.02Å; F216-F249 HydrophobicContact CZ-CE1 3.02Å; F216-F249 HydrophobicContact CZ-CE2 4.13Å; F216-F249 AromaticContact CZ-CZ 3.08Å; F216-F249 HydrophobicContact CZ-CZ 3.08Å; F216-V262 HydrophobicContact CD2-CG1 3.68Å; F216-V262 HydrophobicContact CE2-CG1 3.78Å; F216-T263 PolarHBondContact N-O 3.31Å; F216-F264 HydrophobicContact CB-CD1 3.85Å; F216-F264 HydrophobicContact CB-CE1 4.13Å; F216-F264 HydrophobicContact CD2-CE1 4.24Å; F216-F264 HydrophobicContact CG-CD1 4.45Å; F216-F264 HydrophobicContact CG-CE1 4.25Å; F216-I265 PolarHBondContact O-N 3.1Å
217L92.8Very high78Confident0 Ų046 Ų460%024%0.235CC..EExtended strand (participates in β ladder)trans-101.5116.5-179.5-175.366.8000110.2L151 Y163 L164 L172 M219 L221 F222 I265L151-L217 HydrophobicContact CD1-CD2 3.53Å; Y163-L217 VanDerWaalsContact CA-O 3.31Å; Y163-L217 WeakPolarHBondContact CA-O 3.43Å; L164-L217 HydrophobicContact CB-CB 4.3Å; L164-L217 PolarHBondContact N-O 2.86Å; L164-L217 PolarHBondContact O-N 3.15Å; L172-L217 HydrophobicContact CD2-CD1 3.49Å; L172-L217 VanDerWaalsContact CD2-CD1 3.49Å; L172-L217 HydrophobicContact CD2-CD2 4.37Å; L217-M219 HydrophobicContact CD2-SD 4.28Å; L217-M219 HydrophobicContact CG-SD 4.47Å; L217-M219 PolarHBondContact O-N 3.37Å; L217-L221 HydrophobicContact CD1-CD2 3.32Å; L217-L221 HydrophobicContact CG-CD2 3.94Å; L217-F222 HydrophobicContact CD2-CE2 4.48Å; L217-I265 HydrophobicContact CD1-CB 3.68Å; L217-I265 HydrophobicContact CD1-CD1 4.26Å; L217-I265 HydrophobicContact CD1-CG2 3.5Å
218D91.1Very high80.6Confident8 Ų844.6 Ų44.64%0.04322%0.215CC..EExtended strand (participates in β ladder)trans-70.1109.4172.91803.1000110Y163 A220 L221 R224 I265Y163-D218 HydrophobicContact CD1-CB 4.26Å; Y163-D218 HydrophobicContact CE1-CB 3.76Å; D218-A220 PolarHBondContact O-N 3.15Å; D218-A220 VanDerWaalsContact O-N 3.15Å; D218-A220 VanDerWaalsContact OD1-CB 3.24Å; D218-A220 WeakPolarHBondContact OD1-CB 3.38Å; D218-A220 PolarHBondContact OD1-N 2.03Å; D218-L221 WeakPolarHBondContact O-CB 3.49Å; D218-L221 WeakPolarHBondContact O-CD2 3.33Å; D218-L221 WeakPolarHBondContact O-CG 3.42Å; D218-L221 PolarHBondContact O-N 3.03Å; D218-R224 IonicContact OD2-NH2 2.89Å; D218-I265 PolarHBondContact N-O 3.01Å
219M90.3Very high82.8Confident4 Ų440.3 Ų40.32%0.0220%0.202CC..G310 helixtrans-64.6-19.9-179.4-62.2-51.2-57.200113F131 T134 L137 L159 E162 L164 L217 L221 F222F131-M219 HydrophobicContact CE2-CE 3.84Å; F131-M219 HydrophobicContact CZ-CE 3.9Å; T134-M219 HydrophobicContact CG2-CB 3.97Å; T134-M219 HydrophobicContact CG2-CE 4.05Å; T134-M219 HydrophobicContact CG2-CG 4.01Å; L137-M219 HydrophobicContact CD2-CE 3.56Å; L137-M219 HydrophobicContact CD2-SD 4.3Å; L159-M219 HydrophobicContact CD1-CE 3.99Å; E162-M219 WeakPolarHBondContact O-CB 3.49Å; E162-M219 VanDerWaalsContact O-CG 3.31Å; E162-M219 WeakPolarHBondContact O-CG 3.43Å; E162-M219 PolarHBondContact O-N 3.04Å; L164-M219 HydrophobicContact CB-SD 3.89Å; L217-M219 HydrophobicContact CD2-SD 4.28Å; L217-M219 HydrophobicContact CG-SD 4.47Å; L217-M219 PolarHBondContact O-N 3.37Å; M219-L221 PolarHBondContact O-N 3.47Å; M219-F222 HydrophobicContact CE-CD2 3.98Å; M219-F222 HydrophobicContact CE-CE2 3.77Å; M219-F222 PolarHBondContact O-N 3.36Å
220A88.6Confident84.7Confident4 Ų436.4 Ų36.43%0.03319%0.188CC..G310 helixtrans-68-11.8175.100000113.1T161 D218 F222 N223T161-A220 HydrophobicContact CG2-CB 4.35Å; D218-A220 PolarHBondContact O-N 3.15Å; D218-A220 VanDerWaalsContact O-N 3.15Å; D218-A220 VanDerWaalsContact OD1-CB 3.24Å; D218-A220 WeakPolarHBondContact OD1-CB 3.38Å; D218-A220 PolarHBondContact OD1-N 2.03Å; A220-F222 PolarHBondContact O-N 3.05Å; A220-N223 WeakPolarHBondContact O-CB 3.28Å; A220-N223 PolarHBondContact O-N 3.35Å
221L89.3Confident86Confident5 Ų541.1 Ų41.13%0.02621%0.206CC..G310 helixtrans-60.5-30.5175.172.884.6000112.4I174 L217 D218 M219 N223 R224 L228I174-L221 HydrophobicContact CD1-CD1 3.37Å; I174-L221 HydrophobicContact CG2-CD1 4.32Å; L217-L221 HydrophobicContact CD1-CD2 3.32Å; L217-L221 HydrophobicContact CG-CD2 3.94Å; D218-L221 WeakPolarHBondContact O-CB 3.49Å; D218-L221 WeakPolarHBondContact O-CD2 3.33Å; D218-L221 WeakPolarHBondContact O-CG 3.42Å; D218-L221 PolarHBondContact O-N 3.03Å; M219-L221 PolarHBondContact O-N 3.47Å; L221-N223 PolarHBondContact O-N 2.88Å; L221-N223 VanDerWaalsContact O-N 3.15Å; L221-R224 PolarHBondContact O-N 3.34Å; L221-R224 VanDerWaalsContact O-N 3.1Å; L221-L228 HydrophobicContact CD1-CD2 4.2Å; L221-L228 HydrophobicContact CD2-CD2 3.97Å
222F88.7Confident86.6Confident0 Ų042.9 Ų42.90%022%0.218CC..G310 helixtrans-75.71.1177.7-64-91.3000113.1F131 L151 L153 L159 I174 M176 K179 L217 M219 A220F131-F222 HydrophobicContact CE1-CE1 4.12Å; F131-F222 HydrophobicContact CE1-CZ 4.09Å; F131-F222 HydrophobicContact CZ-CD1 4.25Å; F131-F222 HydrophobicContact CZ-CD2 4.18Å; F131-F222 HydrophobicContact CZ-CE1 4.05Å; F131-F222 AromaticContact CZ-CE2 4Å; F131-F222 HydrophobicContact CZ-CE2 4Å; F131-F222 HydrophobicContact CZ-CG 4.32Å; F131-F222 AromaticContact CZ-CZ 3.94Å; F131-F222 HydrophobicContact CZ-CZ 3.94Å; L151-F222 HydrophobicContact CB-CE1 4.23Å; L151-F222 HydrophobicContact CB-CZ 3.76Å; L151-F222 HydrophobicContact CD1-CZ 4.05Å; L153-F222 HydrophobicContact CB-CD1 3.93Å; L153-F222 HydrophobicContact CD2-CB 3.83Å; L159-F222 HydrophobicContact CD1-CB 3.74Å; L159-F222 HydrophobicContact CD1-CD2 3.94Å; L159-F222 HydrophobicContact CD1-CG 4.06Å; L159-F222 HydrophobicContact CG-CB 4.44Å; I174-F222 HydrophobicContact CB-CE1 3.8Å; I174-F222 HydrophobicContact CB-CZ 4.13Å; I174-F222 HydrophobicContact CG2-CE1 3.95Å; I174-F222 HydrophobicContact CG2-CZ 3.72Å; M176-F222 HydrophobicContact CG-CB 4.5Å; M176-F222 HydrophobicContact CG-CD1 4.02Å; M176-F222 HydrophobicContact SD-CB 4.48Å; K179-F222 PolarHBondContact NZ-O 3.3Å; L217-F222 HydrophobicContact CD2-CE2 4.48Å; M219-F222 HydrophobicContact CE-CD2 3.98Å; M219-F222 HydrophobicContact CE-CE2 3.77Å; M219-F222 PolarHBondContact O-N 3.36Å; A220-F222 PolarHBondContact O-N 3.05Å
223N86.6Confident86.9Confident53 Ų5343.4 Ų43.428%0.28322%0.221SC..G310 helixtrans-101.4-6.1171.8-57.8-40.3000112.7T158 L159 K179 A220 L221T158-N223 VanDerWaalsContact CA-OD1 3.25Å; T158-N223 WeakPolarHBondContact CA-OD1 3.49Å; L159-N223 PolarHBondContact N-ND2 2.93Å; L159-N223 PolarHBondContact N-OD1 2.61Å; L159-N223 PolarHBondContact O-ND2 3.07Å; K179-N223 PolarHBondContact NZ-OD1 3.29Å; A220-N223 WeakPolarHBondContact O-CB 3.28Å; A220-N223 PolarHBondContact O-N 3.35Å; L221-N223 PolarHBondContact O-N 2.88Å; L221-N223 VanDerWaalsContact O-N 3.15Å
224R78.1Confident86.8Confident107 Ų10745.3 Ų45.340%0.40423%0.234SC..  trans-119149.6-169.2-59.6177.4-173.8163.79.1109.6M176 D218 L221 S226M176-R224 WeakPolarHBondContact CE-O 3.48Å; D218-R224 IonicContact OD2-NH2 2.89Å; L221-R224 PolarHBondContact O-N 3.34Å; L221-R224 VanDerWaalsContact O-N 3.1Å; R224-S226 WeakPolarHBondContact CB-OG 3.31Å; R224-S226 PolarHBondContact O-N 2.83Å
225D75.3Confident86.1Confident106 Ų10650.6 Ų50.657%0.56726%0.262SS*.  trans-90.817.4173.7-52.6-32.3000111.7F182F182-D225 HydrophobicContact CE1-CB 4.13Å; F182-D225 HydrophobicContact CE2-CB 4.17Å; F182-D225 WeakPolarHBondContact CE2-OD1 3.38Å; F182-D225 HydrophobicContact CZ-CB 3.64Å; F182-D225 WeakPolarHBondContact CZ-OD1 3.23Å
226S77.3Confident85.1Confident50 Ų5051 Ų5135%0.3526%0.264SS..PPolyproline II helixtrans-78149.7179.7500000111.6Q185 R224Q185-S226 PolarHBondContact NE2-O 3.04Å; R224-S226 WeakPolarHBondContact CB-OG 3.31Å; R224-S226 PolarHBondContact O-N 2.83Å
227S84.3Confident83.8Confident71 Ų7155.3 Ų55.350%0.49729%0.291SS..PPolyproline II helixtrans-68.5140.3172.468.80000110.7Q185 K229Q185-S227 VanDerWaalsContact OE1-CA 3.27Å; S227-K229 PolarHBondContact O-N 3.31Å
228L90.1Very high82.2Confident21 Ų2157.1 Ų57.111%0.1130%0.304CS..PPolyproline II helixtrans-52.7130.5171.5-82.8-179.9000111.4L172 I174 Q185 L187 L221 I265L172-L228 HydrophobicContact CD2-CD1 4.48Å; I174-L228 HydrophobicContact CD1-CD1 3.84Å; I174-L228 HydrophobicContact CD1-CD2 3.67Å; I174-L228 HydrophobicContact CD1-CG 3.59Å; I174-L228 HydrophobicContact CG1-CD1 3.77Å; I174-L228 HydrophobicContact CG1-CD2 4.47Å; I174-L228 HydrophobicContact CG1-CG 4.1Å; I174-L228 HydrophobicContact CG2-CD1 4.23Å; Q185-L228 HydrophobicContact CB-CD1 3.97Å; Q185-L228 HydrophobicContact CB-CG 4.23Å; L187-L228 HydrophobicContact CB-CB 4.39Å; L187-L228 HydrophobicContact CB-CD1 3.98Å; L221-L228 HydrophobicContact CD1-CD2 4.2Å; L221-L228 HydrophobicContact CD2-CD2 3.97Å; L228-I265 HydrophobicContact CD2-CG2 4.03Å
229K90.8Very high80.6Confident107 Ų10757 Ų5747%0.46530%0.303SS..  trans-128.8151.9172.8-68.7174.1-174175.40109.8S227 I265 Y266S227-K229 PolarHBondContact O-N 3.31Å; K229-I265 WeakPolarHBondContact O-CA 3.25Å; K229-Y266 HydrophobicContact CB-CD1 4.47Å; K229-Y266 HydrophobicContact CB-CD2 4.35Å; K229-Y266 HydrophobicContact CB-CE1 3.94Å; K229-Y266 HydrophobicContact CB-CE2 3.85Å; K229-Y266 HydrophobicContact CD-CE2 3.88Å; K229-Y266 HydrophobicContact CG-CE2 4.48Å; K229-Y266 PolarHBondContact N-O 2.75Å; K229-Y266 PolarHBondContact O-N 2.89Å
230S91.6Very high78.9Confident43 Ų4358.7 Ų58.730%0.30132%0.317SS..EExtended strand (participates in β ladder)trans-142.5153.5169.959.10000112.4F264S230-F264 WeakPolarHBondContact CA-O 3.33Å; S230-F264 WeakPolarHBondContact CB-O 3.49Å
231Y89.1Confident77.4Confident107 Ų10764.6 Ų64.642%0.4235%0.349SS..EExtended strand (participates in β ladder)trans-136147.4163.468.4-88000109.3I233 T263 F264 Y266Y231-I233 HydrophobicContact CD2-CD1 4.44Å; Y231-I233 HydrophobicContact CD2-CG1 4.19Å; Y231-I233 HydrophobicContact CE2-CD1 3.93Å; Y231-I233 HydrophobicContact CE2-CG1 4.17Å; Y231-T263 CarbonylContact O-C 3.52Å; Y231-T263 VanDerWaalsContact O-CA 3.32Å; Y231-T263 WeakPolarHBondContact O-CA 3.4Å; Y231-F264 HydrophobicContact CD1-CB 4.07Å; Y231-F264 HydrophobicContact CD2-CD2 4.28Å; Y231-F264 HydrophobicContact CE1-CB 3.48Å; Y231-F264 VanDerWaalsContact CE1-CB 3.48Å; Y231-F264 HydrophobicContact CE1-CD2 4.25Å; Y231-F264 HydrophobicContact CE1-CG 4.09Å; Y231-F264 HydrophobicContact CE2-CB 4.16Å; Y231-F264 AromaticContact CE2-CD2 3.41Å; Y231-F264 HydrophobicContact CE2-CD2 3.41Å; Y231-F264 VanDerWaalsContact CE2-CD2 3.41Å; Y231-F264 HydrophobicContact CE2-CE2 4.14Å; Y231-F264 HydrophobicContact CE2-CG 4.1Å; Y231-F264 AromaticContact CZ-CD2 3.39Å; Y231-F264 AromaticContact CZ-CG 3.6Å; Y231-F264 PolarHBondContact N-O 2.93Å; Y231-F264 VanDerWaalsContact N-O 3.1Å; Y231-F264 PolarHBondContact O-N 3.44Å; Y231-F264 VanDerWaalsContact OH-CD2 3.26Å; Y231-F264 WeakPolarHBondContact OH-CD2 3.12Å; Y231-F264 WeakPolarHBondContact OH-CG 3.1Å; Y231-Y266 AromaticContact CD1-CE1 3.88Å; Y231-Y266 HydrophobicContact CD1-CE1 3.88Å; Y231-Y266 HydrophobicContact CE1-CE1 4.13Å
232S86.6Confident75.8Confident54 Ų5469.2 Ų69.238%0.37837%0.373SS..EExtended strand (participates in β ladder)trans-117.6141.2-179.6-62.60000110.1V262 T263S232-V262 CarbonylContact C-O 3.49Å; S232-V262 WeakPolarHBondContact CA-O 3.38Å; S232-T263 PolarHBondContact OG-OG1 2.85Å
233I82.9Confident74.5Confident62 Ų6270.9 Ų70.932%0.31838%0.381SS..EExtended strand (participates in β ladder)trans-117122.5172.9-57.9169.6000106.9Y231 V236 F243 V261 V262 F264Y231-I233 HydrophobicContact CD2-CD1 4.44Å; Y231-I233 HydrophobicContact CD2-CG1 4.19Å; Y231-I233 HydrophobicContact CE2-CD1 3.93Å; Y231-I233 HydrophobicContact CE2-CG1 4.17Å; I233-V236 HydrophobicContact CB-CG2 4.2Å; I233-V236 HydrophobicContact CG2-CG2 3.66Å; I233-F243 HydrophobicContact CD1-CZ 3.76Å; I233-V261 CarbonylContact O-C 3.57Å; I233-V261 WeakPolarHBondContact O-CA 3.01Å; I233-V262 PolarHBondContact N-O 2.74Å; I233-V262 PolarHBondContact O-N 3.01Å; I233-F264 HydrophobicContact CD1-CE2 4.3Å
234E82.9Confident73Confident148 Ų14872.3 Ų72.369%0.69239%0.393SS*.EExtended strand (participates in β ladder)trans-91.3159.5178.7-60.8-176.7175.500111.6V236 V261E234-V236 PolarHBondContact O-N 3.23Å; E234-V261 HydrophobicContact CB-CG2 4.48Å; E234-V261 HydrophobicContact CG-CG1 4.37Å; E234-V261 HydrophobicContact CG-CG2 4.18Å
235N72.2Confident71.8Confident111 Ų11173.5 Ų73.559%0.59441%0.407SS*.EExtended strand (participates in β ladder)trans57.141.3172.1-159.314.1000115.2T237 S259 Y260N235-T237 PolarHBondContact O-N 3.17Å; N235-S259 WeakPolarHBondContact OD1-CB 3.43Å; N235-Y260 PolarHBondContact N-O 2.92Å
236V69.1Low71Confident9 Ų970.3 Ų70.36%0.05539%0.388CS..EExtended strand (participates in β ladder)trans-80.1110.4175.1-1670000109.2I233 E234 I239 Y260 V262I233-V236 HydrophobicContact CB-CG2 4.2Å; I233-V236 HydrophobicContact CG2-CG2 3.66Å; E234-V236 PolarHBondContact O-N 3.23Å; V236-I239 HydrophobicContact CB-CG1 4.05Å; V236-I239 HydrophobicContact CG1-CB 4.05Å; V236-I239 HydrophobicContact CG1-CG1 3.55Å; V236-I239 HydrophobicContact CG1-CG2 4.3Å; V236-Y260 PolarHBondContact N-O 3.35Å; V236-Y260 WeakPolarHBondContact O-CD2 3.35Å; V236-Y260 PolarHBondContact O-N 3.38Å; V236-V262 HydrophobicContact CB-CG2 4.19Å; V236-V262 HydrophobicContact CG2-CB 4.46Å; V236-V262 HydrophobicContact CG2-CG2 3.88Å
237T62.2Low70Confident91 Ų9171.7 Ų71.756%0.55840%0.398SS*.SBendtrans-91.5-17.6-178.351.80000113.5N235N235-T237 PolarHBondContact O-N 3.17Å
238S59.8Low68.6Low38 Ų3871.3 Ų71.327%0.26639%0.386SS..  trans-148.489.9172.2178.90000110.3A240 N241 N242S238-A240 VanDerWaalsContact C-N 3.27Å; S238-A240 PolarHBondContact O-N 3.44Å; S238-N241 PolarHBondContact O-N 2.61Å; S238-N241 WeakPolarHBondContact OG-CB 3.49Å; S238-N241 PolarHBondContact OG-N 3.33Å; S238-N241 PolarHBondContact OG-ND2 3.09Å; S238-N242 PolarHBondContact O-N 3.09Å; S238-N242 PolarHBondContact O-ND2 3.34Å
239I56.5Low67Low6 Ų671 Ų713%0.03138%0.384CS..Hα-helixtrans-66.4-34.8-178.4-41.9176.9000110.8I214 V236 N241 N242 F243 F249 M254 V262I214-I239 HydrophobicContact CD1-CD1 4.02Å; V236-I239 HydrophobicContact CB-CG1 4.05Å; V236-I239 HydrophobicContact CG1-CB 4.05Å; V236-I239 HydrophobicContact CG1-CG1 3.55Å; V236-I239 HydrophobicContact CG1-CG2 4.3Å; I239-N241 VanDerWaalsContact C-N 3.27Å; I239-N241 PolarHBondContact O-N 2.94Å; I239-N242 PolarHBondContact O-N 3.3Å; I239-F243 HydrophobicContact CG2-CB 4.44Å; I239-F243 HydrophobicContact CG2-CD2 3.35Å; I239-F243 HydrophobicContact CG2-CE2 3.94Å; I239-F243 HydrophobicContact CG2-CG 4.24Å; I239-F243 WeakPolarHBondContact O-CB 3.43Å; I239-F243 WeakPolarHBondContact O-CD2 3.48Å; I239-F243 PolarHBondContact O-N 3.04Å; I239-F249 HydrophobicContact CB-CD1 3.59Å; I239-F249 HydrophobicContact CB-CD2 4.4Å; I239-F249 HydrophobicContact CB-CE1 3.69Å; I239-F249 HydrophobicContact CB-CG 3.98Å; I239-F249 HydrophobicContact CB-CZ 4.18Å; I239-F249 HydrophobicContact CD1-CD1 3.93Å; I239-F249 HydrophobicContact CD1-CE1 3.6Å; I239-F249 HydrophobicContact CG1-CD1 4.35Å; I239-F249 HydrophobicContact CG1-CE1 4.25Å; I239-F249 HydrophobicContact CG2-CD1 3.53Å; I239-F249 HydrophobicContact CG2-CD2 3.82Å; I239-F249 HydrophobicContact CG2-CE1 3.16Å; I239-F249 HydrophobicContact CG2-CE2 3.52Å; I239-F249 HydrophobicContact CG2-CG 3.85Å; I239-F249 HydrophobicContact CG2-CZ 3.17Å; I239-M254 HydrophobicContact CD1-CE 3.07Å; I239-M254 HydrophobicContact CG1-CE 3.73Å; I239-V262 HydrophobicContact CD1-CG2 3.45Å; I239-V262 VanDerWaalsContact CD1-CG2 3.45Å; I239-V262 HydrophobicContact CG1-CG2 4Å; I239-V262 HydrophobicContact CG2-CG2 4.3Å
240A56Low65.3Low39 Ų3973.7 Ų73.732%0.32240%0.396SS..Hα-helixtrans-60.6-32.1177.800000113.6S238 F249S238-A240 VanDerWaalsContact C-N 3.27Å; S238-A240 PolarHBondContact O-N 3.44Å; A240-F249 HydrophobicContact CB-CB 4.14Å
241N56.1Low63.4Low129 Ų12976.8 Ų76.869%0.6941%0.413SS*.Hα-helixtrans-81.4-32.6177.3-66.8-14.6000112.4S238 I239S238-N241 PolarHBondContact O-N 2.61Å; S238-N241 WeakPolarHBondContact OG-CB 3.49Å; S238-N241 PolarHBondContact OG-N 3.33Å; S238-N241 PolarHBondContact OG-ND2 3.09Å; I239-N241 VanDerWaalsContact C-N 3.27Å; I239-N241 PolarHBondContact O-N 2.94Å
242N55.8Low61.8Low102 Ų10272.7 Ų72.755%0.54540%0.397SS..Hα-helixtrans-80.5-23.4178.8-70.4-67.4000112.4S238 I239S238-N242 PolarHBondContact O-N 3.09Å; S238-N242 PolarHBondContact O-ND2 3.34Å; I239-N242 PolarHBondContact O-N 3.3Å
243F61.6Low60.2Low35 Ų3574.7 Ų74.715%0.15441%0.409CS..  trans-135.265.4-175.6-60.1-83.3000111.3I233 I239 D245 F246 F249 F264I233-F243 HydrophobicContact CD1-CZ 3.76Å; I239-F243 HydrophobicContact CG2-CB 4.44Å; I239-F243 HydrophobicContact CG2-CD2 3.35Å; I239-F243 HydrophobicContact CG2-CE2 3.94Å; I239-F243 HydrophobicContact CG2-CG 4.24Å; I239-F243 WeakPolarHBondContact O-CB 3.43Å; I239-F243 WeakPolarHBondContact O-CD2 3.48Å; I239-F243 PolarHBondContact O-N 3.04Å; F243-D245 PolarHBondContact O-N 3.38Å; F243-D245 VanDerWaalsContact O-N 3.16Å; F243-F246 HydrophobicContact CB-CB 4.29Å; F243-F246 HydrophobicContact CB-CD2 3.75Å; F243-F246 HydrophobicContact CB-CE2 4.49Å; F243-F246 HydrophobicContact CB-CG 4.35Å; F243-F246 HydrophobicContact CD1-CD2 4.24Å; F243-F246 HydrophobicContact CD1-CE2 4.14Å; F243-F246 HydrophobicContact CG-CD2 4.41Å; F243-F246 PolarHBondContact O-N 3.32Å; F243-F246 VanDerWaalsContact O-N 3.09Å; F243-F249 HydrophobicContact CB-CD2 3.95Å; F243-F249 HydrophobicContact CB-CE2 3.65Å; F243-F249 HydrophobicContact CD2-CE2 4.45Å; F243-F249 HydrophobicContact CG-CE2 4.19Å; F243-F264 AromaticContact CD1-CZ 3.79Å; F243-F264 HydrophobicContact CD1-CZ 3.79Å; F243-F264 HydrophobicContact CE1-CE1 4.43Å; F243-F264 AromaticContact CE1-CE2 3.73Å; F243-F264 HydrophobicContact CE1-CE2 3.73Å; F243-F264 AromaticContact CE1-CZ 3.42Å; F243-F264 HydrophobicContact CE1-CZ 3.42Å; F243-F264 VanDerWaalsContact CE1-CZ 3.42Å; F243-F264 HydrophobicContact CE2-CE2 4.38Å; F243-F264 HydrophobicContact CE2-CZ 4.28Å; F243-F264 HydrophobicContact CG-CZ 4.36Å; F243-F264 AromaticContact CZ-CE2 3.65Å; F243-F264 HydrophobicContact CZ-CE2 3.65Å; F243-F264 AromaticContact CZ-CZ 3.7Å; F243-F264 HydrophobicContact CZ-CZ 3.7Å
244P54.1Low58.9Low83 Ų8374.1 Ų74.154%0.53941%0.405SS..THydrogen-bonded Turntrans-63-24.2-172.625-34.9000114.1F246P244-F246 VanDerWaalsContact C-N 3.32Å
245D54.2Low57.4Low131 Ų13169.5 Ų69.570%0.70139%0.388SS*.THydrogen-bonded Turntrans-80.4-11.7179.8-65-36.5000113.4F243 S247F243-D245 PolarHBondContact O-N 3.38Å; F243-D245 VanDerWaalsContact O-N 3.16Å; D245-S247 PolarHBondContact O-N 3.39Å
246F57.4Low56.5Low40 Ų4068.2 Ų68.218%0.17539%0.388CS..  trans-93.490.4179.7-75.6-97.9000109.8Y163 F243 P244 Y248 F249 F264Y163-F246 HydrophobicContact CD1-CE1 4.17Å; Y163-F246 HydrophobicContact CD2-CD1 4.33Å; Y163-F246 AromaticContact CD2-CE1 3.57Å; Y163-F246 HydrophobicContact CD2-CE1 3.57Å; Y163-F246 HydrophobicContact CD2-CZ 4.35Å; Y163-F246 HydrophobicContact CE1-CE1 4.23Å; Y163-F246 AromaticContact CE2-CE1 3.65Å; Y163-F246 HydrophobicContact CE2-CE1 3.65Å; Y163-F246 AromaticContact CE2-CZ 3.96Å; Y163-F246 HydrophobicContact CE2-CZ 3.96Å; Y163-F246 AromaticContact CG-CE1 3.83Å; Y163-F246 HydrophobicContact CG-CE1 3.83Å; Y163-F246 AromaticContact CZ-CE1 3.98Å; F243-F246 HydrophobicContact CB-CB 4.29Å; F243-F246 HydrophobicContact CB-CD2 3.75Å; F243-F246 HydrophobicContact CB-CE2 4.49Å; F243-F246 HydrophobicContact CB-CG 4.35Å; F243-F246 HydrophobicContact CD1-CD2 4.24Å; F243-F246 HydrophobicContact CD1-CE2 4.14Å; F243-F246 HydrophobicContact CG-CD2 4.41Å; F243-F246 PolarHBondContact O-N 3.32Å; F243-F246 VanDerWaalsContact O-N 3.09Å; P244-F246 VanDerWaalsContact C-N 3.32Å; F246-Y248 PolarHBondContact O-N 3.05Å; F246-F249 HydrophobicContact CB-CD2 3.28Å; F246-F249 HydrophobicContact CB-CE2 3.27Å; F246-F249 HydrophobicContact CB-CG 4.48Å; F246-F249 HydrophobicContact CB-CZ 4.48Å; F246-F249 HydrophobicContact CD1-CE2 4.26Å; F246-F249 HydrophobicContact CD2-CE2 4.36Å; F246-F249 HydrophobicContact CG-CD2 4.26Å; F246-F249 AromaticContact CG-CE2 3.75Å; F246-F249 HydrophobicContact CG-CE2 3.75Å; F246-F249 WeakPolarHBondContact O-CD2 3.48Å; F246-F249 PolarHBondContact O-N 3.39Å; F246-F264 HydrophobicContact CE1-CE1 4.07Å; F246-F264 HydrophobicContact CE2-CE1 4.31Å; F246-F264 HydrophobicContact CZ-CD1 4.49Å; F246-F264 AromaticContact CZ-CE1 3.77Å; F246-F264 HydrophobicContact CZ-CE1 3.77Å
247S57.5Low55.8Low78 Ų7876.2 Ų76.255%0.54542%0.424SS..THydrogen-bonded Turntrans-53.7-25.3177.156.20000113.8D245 F249 K250D245-S247 PolarHBondContact O-N 3.39Å; S247-F249 PolarHBondContact O-N 3.31Å; S247-K250 WeakPolarHBondContact O-CB 3.01Å; S247-K250 PolarHBondContact O-N 3.12Å
248Y55.2Low55.9Low63 Ų6375.6 Ų75.625%0.24741%0.414CS..Hα-helixtrans-57.7-28.7174.6-76.3-77.7000114.2F143 Y163 F246 K250 T251F143-Y248 HydrophobicContact CE2-CD1 4.42Å; F143-Y248 HydrophobicContact CZ-CD1 4.4Å; Y163-Y248 WeakPolarHBondContact O-CE2 3.31Å; Y163-Y248 PolarHBondContact O-OH 2.91Å; F246-Y248 PolarHBondContact O-N 3.05Å; Y248-K250 VanDerWaalsContact C-N 3.29Å; Y248-K250 PolarHBondContact O-N 3.34Å; Y248-T251 PolarHBondContact O-OG1 2.74Å; Y248-T251 VanDerWaalsContact O-OG1 3.12Å
249F54.7Low56.4Low15 Ų1577 Ų777%0.06642%0.424CS..Hα-helixtrans-78.1-14.5177.1-61.9-61.8000113.6F216 I239 A240 F243 F246 S247F216-F249 HydrophobicContact CD2-CE1 4.5Å; F216-F249 HydrophobicContact CD2-CZ 4.01Å; F216-F249 HydrophobicContact CE1-CE1 4.03Å; F216-F249 AromaticContact CE1-CZ 3.8Å; F216-F249 HydrophobicContact CE1-CZ 3.8Å; F216-F249 AromaticContact CE2-CE1 3.31Å; F216-F249 HydrophobicContact CE2-CE1 3.31Å; F216-F249 HydrophobicContact CE2-CE2 4.41Å; F216-F249 AromaticContact CE2-CZ 3.18Å; F216-F249 HydrophobicContact CE2-CZ 3.18Å; F216-F249 HydrophobicContact CZ-CD1 4.02Å; F216-F249 AromaticContact CZ-CE1 3.02Å; F216-F249 HydrophobicContact CZ-CE1 3.02Å; F216-F249 HydrophobicContact CZ-CE2 4.13Å; F216-F249 AromaticContact CZ-CZ 3.08Å; F216-F249 HydrophobicContact CZ-CZ 3.08Å; I239-F249 HydrophobicContact CB-CD1 3.59Å; I239-F249 HydrophobicContact CB-CD2 4.4Å; I239-F249 HydrophobicContact CB-CE1 3.69Å; I239-F249 HydrophobicContact CB-CG 3.98Å; I239-F249 HydrophobicContact CB-CZ 4.18Å; I239-F249 HydrophobicContact CD1-CD1 3.93Å; I239-F249 HydrophobicContact CD1-CE1 3.6Å; I239-F249 HydrophobicContact CG1-CD1 4.35Å; I239-F249 HydrophobicContact CG1-CE1 4.25Å; I239-F249 HydrophobicContact CG2-CD1 3.53Å; I239-F249 HydrophobicContact CG2-CD2 3.82Å; I239-F249 HydrophobicContact CG2-CE1 3.16Å; I239-F249 HydrophobicContact CG2-CE2 3.52Å; I239-F249 HydrophobicContact CG2-CG 3.85Å; I239-F249 HydrophobicContact CG2-CZ 3.17Å; A240-F249 HydrophobicContact CB-CB 4.14Å; F243-F249 HydrophobicContact CB-CD2 3.95Å; F243-F249 HydrophobicContact CB-CE2 3.65Å; F243-F249 HydrophobicContact CD2-CE2 4.45Å; F243-F249 HydrophobicContact CG-CE2 4.19Å; F246-F249 HydrophobicContact CB-CD2 3.28Å; F246-F249 HydrophobicContact CB-CE2 3.27Å; F246-F249 HydrophobicContact CB-CG 4.48Å; F246-F249 HydrophobicContact CB-CZ 4.48Å; F246-F249 HydrophobicContact CD1-CE2 4.26Å; F246-F249 HydrophobicContact CD2-CE2 4.36Å; F246-F249 HydrophobicContact CG-CD2 4.26Å; F246-F249 AromaticContact CG-CE2 3.75Å; F246-F249 HydrophobicContact CG-CE2 3.75Å; F246-F249 WeakPolarHBondContact O-CD2 3.48Å; F246-F249 PolarHBondContact O-N 3.39Å; S247-F249 PolarHBondContact O-N 3.31Å
250K55.3Low57.3Low164 Ų16476.8 Ų76.871%0.71342%0.423SS*.Hα-helixtrans-83.1-27.8176.8-62-177.1-179.7177.90112S247 Y248S247-K250 WeakPolarHBondContact O-CB 3.01Å; S247-K250 PolarHBondContact O-N 3.12Å; Y248-K250 VanDerWaalsContact C-N 3.29Å; Y248-K250 PolarHBondContact O-N 3.34Å
251T52Low58.6Low107 Ų10775.8 Ų75.866%0.65641%0.413SS*.Hα-helixtrans-87.5-17.3179.935.20000113.5Y248 P253Y248-T251 PolarHBondContact O-OG1 2.74Å; Y248-T251 VanDerWaalsContact O-OG1 3.12Å; T251-P253 WeakPolarHBondContact O-CD 3.48Å
252F56.3Low60Low22 Ų2269.7 Ų69.710%0.09638%0.38CS..SBendtrans-85.4120.2174.9-162.2-98.1000110.3F143 C211 M254F143-F252 HydrophobicContact CB-CD2 4.29Å; F143-F252 HydrophobicContact CB-CE2 4.05Å; F143-F252 AromaticContact CD1-CD2 3.28Å; F143-F252 HydrophobicContact CD1-CD2 3.28Å; F143-F252 AromaticContact CD1-CE2 3.58Å; F143-F252 HydrophobicContact CD1-CE2 3.58Å; F143-F252 HydrophobicContact CD1-CG 4.19Å; F143-F252 HydrophobicContact CD2-CD2 4.2Å; F143-F252 HydrophobicContact CE1-CB 4.04Å; F143-F252 AromaticContact CE1-CD2 3.49Å; F143-F252 HydrophobicContact CE1-CD2 3.49Å; F143-F252 VanDerWaalsContact CE1-CD2 3.49Å; F143-F252 HydrophobicContact CE1-CE2 4.21Å; F143-F252 AromaticContact CE1-CG 3.98Å; F143-F252 HydrophobicContact CE1-CG 3.98Å; F143-F252 HydrophobicContact CE2-CD2 4.37Å; F143-F252 AromaticContact CG-CD2 3.66Å; F143-F252 HydrophobicContact CG-CD2 3.66Å; F143-F252 AromaticContact CG-CE2 3.9Å; F143-F252 HydrophobicContact CG-CE2 3.9Å; F143-F252 HydrophobicContact CZ-CB 4.08Å; F143-F252 HydrophobicContact CZ-CD2 4.03Å; F143-F252 HydrophobicContact CZ-CG 4.44Å; C211-F252 HydrophobicContact CB-CZ 4.27Å; F252-M254 HydrophobicContact CD1-CB 4.14Å; F252-M254 HydrophobicContact CD1-CE 4.35Å; F252-M254 HydrophobicContact CD1-CG 4.48Å; F252-M254 HydrophobicContact CD1-SD 3.43Å; F252-M254 WeakPolarHBondContact CD1-SD 3.43Å; F252-M254 HydrophobicContact CE1-SD 3.45Å; F252-M254 WeakPolarHBondContact CE1-SD 3.41Å; F252-M254 PolarHBondContact O-N 3.49Å
253P51.8Low61.6Low96 Ų9664.9 Ų64.962%0.62335%0.354SS*.  trans-71.585.8171.129.5-31.2000107.9T251 P255T251-P253 WeakPolarHBondContact O-CD 3.48Å; P253-P255 WeakPolarHBondContact O-CD 3.33Å
254M56Low62.9Low49 Ų4963.6 Ų63.624%0.24135%0.348CS..  trans-78.3120178.6-158.877104.600109.4I214 I239 F252 S256 Y260I214-M254 HydrophobicContact CD1-CE 3.68Å; I214-M254 HydrophobicContact CD1-SD 4.43Å; I239-M254 HydrophobicContact CD1-CE 3.07Å; I239-M254 HydrophobicContact CG1-CE 3.73Å; F252-M254 HydrophobicContact CD1-CB 4.14Å; F252-M254 HydrophobicContact CD1-CE 4.35Å; F252-M254 HydrophobicContact CD1-CG 4.48Å; F252-M254 HydrophobicContact CD1-SD 3.43Å; F252-M254 WeakPolarHBondContact CD1-SD 3.43Å; F252-M254 HydrophobicContact CE1-SD 3.45Å; F252-M254 WeakPolarHBondContact CE1-SD 3.41Å; F252-M254 PolarHBondContact O-N 3.49Å; M254-S256 PolarHBondContact O-N 3.04Å; M254-S256 VanDerWaalsContact O-N 3.07Å; M254-Y260 HydrophobicContact CE-CD1 3.88Å; M254-Y260 HydrophobicContact CE-CD2 3.78Å; M254-Y260 HydrophobicContact CE-CE1 4.03Å; M254-Y260 HydrophobicContact CE-CE2 3.94Å; M254-Y260 HydrophobicContact CE-CG 3.77Å; M254-Y260 HydrophobicContact CG-CD2 4.02Å; M254-Y260 HydrophobicContact CG-CE1 4.29Å; M254-Y260 HydrophobicContact CG-CE2 3.32Å; M254-Y260 VanDerWaalsContact CG-CZ 3.49Å; M254-Y260 HydrophobicContact SD-CD1 3.82Å; M254-Y260 HydrophobicContact SD-CD2 3.94Å; M254-Y260 HydrophobicContact SD-CE1 3.33Å; M254-Y260 WeakPolarHBondContact SD-CE1 3.04Å; M254-Y260 HydrophobicContact SD-CE2 3.47Å; M254-Y260 WeakPolarHBondContact SD-CE2 3.37Å; M254-Y260 HydrophobicContact SD-CG 4.11Å; M254-Y260 PolarHBondContact SD-OH 2.9Å
255P51.4Low64.7Low52 Ų5259.7 Ų59.734%0.33832%0.323SS..  trans-61.1115.3168.58-13.3000110P210 P253 H257 K258 Y260P210-P255 HydrophobicContact CG-CG 4.4Å; P253-P255 WeakPolarHBondContact O-CD 3.33Å; P255-H257 PolarHBondContact O-N 3.01Å; P255-K258 PolarHBondContact O-N 3.46Å; P255-Y260 WeakPolarHBondContact CD-OH 3.5Å; P255-Y260 VanDerWaalsContact CG-OH 3.24Å; P255-Y260 WeakPolarHBondContact CG-OH 3.34Å
256S52.7Low66.4Low84 Ų8458 Ų5859%0.58731%0.308SS*.THydrogen-bonded Turntrans-60.9-2-173.849.70000116.1M254M254-S256 PolarHBondContact O-N 3.04Å; M254-S256 VanDerWaalsContact O-N 3.07Å
257H54.6Low66.8Low176 Ų17658.9 Ų58.982%0.81531%0.314SS*.THydrogen-bonded Turntrans-1178.4-171.7-61.2-68.6000113.7P255P255-H257 PolarHBondContact O-N 3.01Å
258K64.3Low67.3Low79 Ų7957.9 Ų57.934%0.34330%0.302SS..SBendtrans-117.5143.8-179.6-61-162.1-179.4-175.70111.5P210 M212 P255 Y260P210-K258 HydrophobicContact CG-CD 4.33Å; M212-K258 HydrophobicContact CE-CD 3.37Å; M212-K258 HydrophobicContact SD-CB 4.3Å; M212-K258 HydrophobicContact SD-CD 4.16Å; P255-K258 PolarHBondContact O-N 3.46Å; K258-Y260 HydrophobicContact CB-CE2 4.03Å; K258-Y260 WeakPolarHBondContact O-CD2 3.36Å; K258-Y260 WeakPolarHBondContact O-CE2 3.44Å
259S70.3Confident68Low68 Ų6857.6 Ų57.648%0.47631%0.305SS..  trans-82125.5175.153.80000110N235N235-S259 WeakPolarHBondContact OD1-CB 3.43Å
260Y76.3Confident68.8Low1 Ų160.1 Ų60.10%0.00432%0.319CS..EExtended strand (participates in β ladder)trans-107149177.9-63.4-88.3000111.6C211 M212 I214 N235 V236 M254 P255 K258C211-Y260 WeakPolarHBondContact O-CD1 3.4Å; M212-Y260 WeakPolarHBondContact O-CA 3.46Å; M212-Y260 HydrophobicContact SD-CD1 4.41Å; M212-Y260 HydrophobicContact SD-CE1 4.01Å; I214-Y260 HydrophobicContact CD1-CD1 4.33Å; N235-Y260 PolarHBondContact N-O 2.92Å; V236-Y260 PolarHBondContact N-O 3.35Å; V236-Y260 WeakPolarHBondContact O-CD2 3.35Å; V236-Y260 PolarHBondContact O-N 3.38Å; M254-Y260 HydrophobicContact CE-CD1 3.88Å; M254-Y260 HydrophobicContact CE-CD2 3.78Å; M254-Y260 HydrophobicContact CE-CE1 4.03Å; M254-Y260 HydrophobicContact CE-CE2 3.94Å; M254-Y260 HydrophobicContact CE-CG 3.77Å; M254-Y260 HydrophobicContact CG-CD2 4.02Å; M254-Y260 HydrophobicContact CG-CE1 4.29Å; M254-Y260 HydrophobicContact CG-CE2 3.32Å; M254-Y260 VanDerWaalsContact CG-CZ 3.49Å; M254-Y260 HydrophobicContact SD-CD1 3.82Å; M254-Y260 HydrophobicContact SD-CD2 3.94Å; M254-Y260 HydrophobicContact SD-CE1 3.33Å; M254-Y260 WeakPolarHBondContact SD-CE1 3.04Å; M254-Y260 HydrophobicContact SD-CE2 3.47Å; M254-Y260 WeakPolarHBondContact SD-CE2 3.37Å; M254-Y260 HydrophobicContact SD-CG 4.11Å; M254-Y260 PolarHBondContact SD-OH 2.9Å; P255-Y260 WeakPolarHBondContact CD-OH 3.5Å; P255-Y260 VanDerWaalsContact CG-OH 3.24Å; P255-Y260 WeakPolarHBondContact CG-OH 3.34Å; K258-Y260 HydrophobicContact CB-CE2 4.03Å; K258-Y260 WeakPolarHBondContact O-CD2 3.36Å; K258-Y260 WeakPolarHBondContact O-CE2 3.44Å
261V82.9Confident69.6Low18 Ų1853.6 Ų53.611%0.10930%0.295CS..EExtended strand (participates in β ladder)trans-101.7122.6165-177.40000107.9M212 Y213 I214 I233 E234M212-V261 PolarHBondContact O-N 3.37Å; Y213-V261 WeakPolarHBondContact CA-O 3.28Å; Y213-V261 HydrophobicContact CD1-CB 3.59Å; Y213-V261 HydrophobicContact CD1-CG1 4.03Å; Y213-V261 HydrophobicContact CD1-CG2 3.92Å; Y213-V261 HydrophobicContact CE1-CB 3.92Å; Y213-V261 HydrophobicContact CE1-CG1 4.37Å; Y213-V261 HydrophobicContact CE1-CG2 3.68Å; Y213-V261 HydrophobicContact CG-CB 4.46Å; I214-V261 PolarHBondContact N-O 3.48Å; I233-V261 CarbonylContact O-C 3.57Å; I233-V261 WeakPolarHBondContact O-CA 3.01Å; E234-V261 HydrophobicContact CB-CG2 4.48Å; E234-V261 HydrophobicContact CG-CG1 4.37Å; E234-V261 HydrophobicContact CG-CG2 4.18Å
262V85.3Confident70.8Confident0 Ų050.1 Ų50.10%027%0.27CS..EExtended strand (participates in β ladder)trans-111.8118.5180-175.10000108.7I214 F216 S232 I233 V236 I239 F264I214-V262 CarbonylContact O-C 3.53Å; I214-V262 WeakPolarHBondContact O-CA 3.18Å; F216-V262 HydrophobicContact CD2-CG1 3.68Å; F216-V262 HydrophobicContact CE2-CG1 3.78Å; S232-V262 CarbonylContact C-O 3.49Å; S232-V262 WeakPolarHBondContact CA-O 3.38Å; I233-V262 PolarHBondContact N-O 2.74Å; I233-V262 PolarHBondContact O-N 3.01Å; V236-V262 HydrophobicContact CB-CG2 4.19Å; V236-V262 HydrophobicContact CG2-CB 4.46Å; V236-V262 HydrophobicContact CG2-CG2 3.88Å; I239-V262 HydrophobicContact CD1-CG2 3.45Å; I239-V262 VanDerWaalsContact CD1-CG2 3.45Å; I239-V262 HydrophobicContact CG1-CG2 4Å; I239-V262 HydrophobicContact CG2-CG2 4.3Å; V262-F264 HydrophobicContact CB-CE2 4.5Å; V262-F264 HydrophobicContact CG1-CD2 4.17Å; V262-F264 HydrophobicContact CG1-CE2 3.57Å; V262-F264 HydrophobicContact CG1-CZ 3.9Å
263T89.3Confident71.8Confident1 Ų152.1 Ų52.11%0.00628%0.283CS..EExtended strand (participates in β ladder)trans-106.1130.5175.7-55.90000109.4I189 I214 S215 F216 Y231 S232 I265I189-T263 HydrophobicContact CD1-CG2 4.44Å; I189-T263 HydrophobicContact CG2-CG2 3.8Å; I214-T263 PolarHBondContact O-N 3.22Å; S215-T263 CarbonylContact C-O 3.54Å; S215-T263 VanDerWaalsContact CA-O 3.31Å; S215-T263 WeakPolarHBondContact CA-O 3.31Å; F216-T263 PolarHBondContact N-O 3.31Å; Y231-T263 CarbonylContact O-C 3.52Å; Y231-T263 VanDerWaalsContact O-CA 3.32Å; Y231-T263 WeakPolarHBondContact O-CA 3.4Å; S232-T263 PolarHBondContact OG-OG1 2.85Å; T263-I265 HydrophobicContact CG2-CG1 4.03Å
264F89.9Confident73.3Confident8 Ų848.7 Ų48.74%0.03526%0.257CS..EExtended strand (participates in β ladder)trans-105.4133.4169.6-67.4-91.1000109.2F216 S230 Y231 I233 F243 F246 V262F216-F264 HydrophobicContact CB-CD1 3.85Å; F216-F264 HydrophobicContact CB-CE1 4.13Å; F216-F264 HydrophobicContact CD2-CE1 4.24Å; F216-F264 HydrophobicContact CG-CD1 4.45Å; F216-F264 HydrophobicContact CG-CE1 4.25Å; S230-F264 WeakPolarHBondContact CA-O 3.33Å; S230-F264 WeakPolarHBondContact CB-O 3.49Å; Y231-F264 HydrophobicContact CD1-CB 4.07Å; Y231-F264 HydrophobicContact CD2-CD2 4.28Å; Y231-F264 HydrophobicContact CE1-CB 3.48Å; Y231-F264 VanDerWaalsContact CE1-CB 3.48Å; Y231-F264 HydrophobicContact CE1-CD2 4.25Å; Y231-F264 HydrophobicContact CE1-CG 4.09Å; Y231-F264 HydrophobicContact CE2-CB 4.16Å; Y231-F264 AromaticContact CE2-CD2 3.41Å; Y231-F264 HydrophobicContact CE2-CD2 3.41Å; Y231-F264 VanDerWaalsContact CE2-CD2 3.41Å; Y231-F264 HydrophobicContact CE2-CE2 4.14Å; Y231-F264 HydrophobicContact CE2-CG 4.1Å; Y231-F264 AromaticContact CZ-CD2 3.39Å; Y231-F264 AromaticContact CZ-CG 3.6Å; Y231-F264 PolarHBondContact N-O 2.93Å; Y231-F264 VanDerWaalsContact N-O 3.1Å; Y231-F264 PolarHBondContact O-N 3.44Å; Y231-F264 VanDerWaalsContact OH-CD2 3.26Å; Y231-F264 WeakPolarHBondContact OH-CD2 3.12Å; Y231-F264 WeakPolarHBondContact OH-CG 3.1Å; I233-F264 HydrophobicContact CD1-CE2 4.3Å; F243-F264 AromaticContact CD1-CZ 3.79Å; F243-F264 HydrophobicContact CD1-CZ 3.79Å; F243-F264 HydrophobicContact CE1-CE1 4.43Å; F243-F264 AromaticContact CE1-CE2 3.73Å; F243-F264 HydrophobicContact CE1-CE2 3.73Å; F243-F264 AromaticContact CE1-CZ 3.42Å; F243-F264 HydrophobicContact CE1-CZ 3.42Å; F243-F264 VanDerWaalsContact CE1-CZ 3.42Å; F243-F264 HydrophobicContact CE2-CE2 4.38Å; F243-F264 HydrophobicContact CE2-CZ 4.28Å; F243-F264 HydrophobicContact CG-CZ 4.36Å; F243-F264 AromaticContact CZ-CE2 3.65Å; F243-F264 HydrophobicContact CZ-CE2 3.65Å; F243-F264 AromaticContact CZ-CZ 3.7Å; F243-F264 HydrophobicContact CZ-CZ 3.7Å; F246-F264 HydrophobicContact CE1-CE1 4.07Å; F246-F264 HydrophobicContact CE2-CE1 4.31Å; F246-F264 HydrophobicContact CZ-CD1 4.49Å; F246-F264 AromaticContact CZ-CE1 3.77Å; F246-F264 HydrophobicContact CZ-CE1 3.77Å; V262-F264 HydrophobicContact CB-CE2 4.5Å; V262-F264 HydrophobicContact CG1-CD2 4.17Å; V262-F264 HydrophobicContact CG1-CE2 3.57Å; V262-F264 HydrophobicContact CG1-CZ 3.9Å
265I92.3Very high74.8Confident1 Ų148.7 Ų48.71%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-124127.6-176.8-51.2171.5000108.6L169 L172 L187 I189 F216 L217 D218 L228 K229 T263L169-I265 HydrophobicContact CD2-CD1 3.96Å; L172-I265 HydrophobicContact CD2-CD1 4.05Å; L172-I265 HydrophobicContact CD2-CG2 3.93Å; L187-I265 HydrophobicContact CD2-CD1 4.4Å; L187-I265 HydrophobicContact CD2-CG1 4.27Å; L187-I265 HydrophobicContact CD2-CG2 3.82Å; I189-I265 HydrophobicContact CD1-CD1 3.66Å; F216-I265 PolarHBondContact O-N 3.1Å; L217-I265 HydrophobicContact CD1-CB 3.68Å; L217-I265 HydrophobicContact CD1-CD1 4.26Å; L217-I265 HydrophobicContact CD1-CG2 3.5Å; D218-I265 PolarHBondContact N-O 3.01Å; L228-I265 HydrophobicContact CD2-CG2 4.03Å; K229-I265 WeakPolarHBondContact O-CA 3.25Å; T263-I265 HydrophobicContact CG2-CG1 4.03Å
266Y88.1Confident76.9Confident96 Ų9648.4 Ų48.438%0.37625%0.251SS..  trans-152.50-17365.3-84.1000113.4K229 Y231K229-Y266 HydrophobicContact CB-CD1 4.47Å; K229-Y266 HydrophobicContact CB-CD2 4.35Å; K229-Y266 HydrophobicContact CB-CE1 3.94Å; K229-Y266 HydrophobicContact CB-CE2 3.85Å; K229-Y266 HydrophobicContact CD-CE2 3.88Å; K229-Y266 HydrophobicContact CG-CE2 4.48Å; K229-Y266 PolarHBondContact N-O 2.75Å; K229-Y266 PolarHBondContact O-N 2.89Å; Y231-Y266 AromaticContact CD1-CE1 3.88Å; Y231-Y266 HydrophobicContact CD1-CE1 3.88Å; Y231-Y266 HydrophobicContact CE1-CE1 4.13Å

Retrieved 266 of 266 residues in 55.7 ms (Link to these results)