X6RLJ0_HUMAN Loading...

Complement C1q subcomponent subunit A

AlphaFold DB , UniProt , Accession X6RLJ0, Species HUMAN (Homo sapiens, Human), Gene C1QA, Length 220 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
1M46.3Very low61.3Low249 Ų249132.5 Ų132.5100%1.22770%0.696SS**  081.90-80.1173.9161.500107.5
2E47.8Very low62.1Low199 Ų199129.7 Ų129.793%0.9369%0.687SS**  trans-97.1120.5173.4-71.2-176.3128.500107.4
3G55.3Low62.4Low52 Ų52127.2 Ų127.254%0.53667%0.673SS.*  trans-74.7168.9-16500000114.8R5G3-R5 PolarHBondContact O-N 3.19Å
4P58.8Low62.5Low111 Ų111122.2 Ų122.272%0.72166%0.659SS**THydrogen-bonded Turntrans-7014.4-17531.2-36000114.5
5R59.8Low62.5Low212 Ų212121.6 Ų121.680%0.865%0.654SS**Hα-helixtrans-73.3-31.2-177.8-79.5-177.6161.8-174.1-5.4113.1G3 W7 V9G3-R5 PolarHBondContact O-N 3.19Å; R5-W7 VanDerWaalsContact C-N 3.33Å; R5-W7 PolarHBondContact O-N 3.21Å; R5-V9 WeakPolarHBondContact O-CG2 3.23Å; R5-V9 PolarHBondContact O-N 3.1Å
6G62.2Low62.4Low48 Ų48118 Ų11850%0.49564%0.641SS.*Hα-helixtrans-64.9-36-179.500000113.2V9 L10G6-V9 PolarHBondContact O-N 2.87Å; G6-L10 PolarHBondContact O-N 3.49Å; G6-L10 VanDerWaalsContact O-N 3.09Å
7W65.6Low62.2Low201 Ų201117.4 Ų117.476%0.76164%0.637SS**Hα-helixtrans-73.4-38.7-178.1-155.3-1.7000112.2R5 V9 L10 C11R5-W7 VanDerWaalsContact C-N 3.33Å; R5-W7 PolarHBondContact O-N 3.21Å; W7-V9 VanDerWaalsContact C-N 3.33Å; W7-V9 PolarHBondContact O-N 3.42Å; W7-L10 PolarHBondContact O-N 3.49Å; W7-C11 WeakPolarHBondContact O-CB 3.38Å; W7-C11 PolarHBondContact O-N 3.34Å; W7-C11 PolarHBondContact O-SG 3.25Å; W7-C11 VanDerWaalsContact O-SG 3.34Å
8L68.5Low61.8Low118 Ų118114.5 Ų114.562%0.61863%0.631SS**Hα-helixtrans-63.6-39.6174.5-73.5167.8000111.7C11 V12L8-C11 PolarHBondContact O-N 3.46Å; L8-V12 WeakPolarHBondContact O-CB 3.44Å; L8-V12 VanDerWaalsContact O-CG2 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.03Å; L8-V12 PolarHBondContact O-N 3.5Å
9V71.8Confident61.4Low89 Ų89113 Ų11354%0.53963%0.63SS.*Hα-helixtrans-65.3-42.5175.8175.40000111.1R5 G6 W7 V12 L13R5-V9 WeakPolarHBondContact O-CG2 3.23Å; R5-V9 PolarHBondContact O-N 3.1Å; G6-V9 PolarHBondContact O-N 2.87Å; W7-V9 VanDerWaalsContact C-N 3.33Å; W7-V9 PolarHBondContact O-N 3.42Å; V9-V12 PolarHBondContact O-N 3.4Å; V9-L13 HydrophobicContact CG1-CD1 4.17Å; V9-L13 WeakPolarHBondContact O-CB 3.49Å; V9-L13 PolarHBondContact O-N 2.73Å
10L69.4Low60.9Low122 Ų122115.5 Ų115.564%0.63964%0.638SS**Hα-helixtrans-62.8-42175.3-98155.7000112.9G6 W7 L13 A14G6-L10 PolarHBondContact O-N 3.49Å; G6-L10 VanDerWaalsContact O-N 3.09Å; W7-L10 PolarHBondContact O-N 3.49Å; L10-L13 PolarHBondContact O-N 3.41Å; L10-A14 WeakPolarHBondContact O-CB 3.49Å; L10-A14 PolarHBondContact O-N 3.07Å
11C68.9Low60.7Low57 Ų57115.7 Ų115.739%0.38564%0.642SS.*Hα-helixtrans-66.7-41.1176.8-71.60000111.9W7 L8 A14 I15W7-C11 WeakPolarHBondContact O-CB 3.38Å; W7-C11 PolarHBondContact O-N 3.34Å; W7-C11 PolarHBondContact O-SG 3.25Å; W7-C11 VanDerWaalsContact O-SG 3.34Å; L8-C11 PolarHBondContact O-N 3.46Å; C11-A14 PolarHBondContact O-N 2.87Å; C11-I15 WeakPolarHBondContact O-CD1 3.47Å; C11-I15 WeakPolarHBondContact O-CG1 3.49Å; C11-I15 PolarHBondContact O-N 3.39Å
12V70.3Confident61.2Low98 Ų98109.5 Ų109.559%0.59462%0.619SS**Hα-helixtrans-67.3-38.4177174.30000111.3L8 V9 I15 S16L8-V12 WeakPolarHBondContact O-CB 3.44Å; L8-V12 VanDerWaalsContact O-CG2 3.23Å; L8-V12 WeakPolarHBondContact O-CG2 3.03Å; L8-V12 PolarHBondContact O-N 3.5Å; V9-V12 PolarHBondContact O-N 3.4Å; V12-I15 PolarHBondContact O-N 3.19Å; V12-S16 PolarHBondContact O-N 3.4Å; V12-S16 PolarHBondContact O-OG 3.41Å; V12-S16 VanDerWaalsContact O-OG 3.11Å
13L66.9Low61.4Low97 Ų97108.9 Ų108.951%0.50862%0.616SS.*Hα-helixtrans-65.6-37.4173.7-116.1136.5000112.7V9 L10 S16 L17V9-L13 HydrophobicContact CG1-CD1 4.17Å; V9-L13 WeakPolarHBondContact O-CB 3.49Å; V9-L13 PolarHBondContact O-N 2.73Å; L10-L13 PolarHBondContact O-N 3.41Å; L13-S16 WeakPolarHBondContact CA-OG 3.41Å; L13-S16 PolarHBondContact O-OG 2.74Å; L13-S16 VanDerWaalsContact O-OG 3.06Å; L13-L17 HydrophobicContact CD2-CD1 4.1Å; L13-L17 WeakPolarHBondContact O-CB 3.11Å; L13-L17 WeakPolarHBondContact O-CD1 3.42Å; L13-L17 WeakPolarHBondContact O-CG 3.41Å; L13-L17 PolarHBondContact O-N 3.3Å
14A63.6Low61.6Low58 Ų58113.6 Ų113.648%0.47963%0.629SS.*Hα-helixtrans-68.9-37.4176.400000112.3L10 C11 A18L10-A14 WeakPolarHBondContact O-CB 3.49Å; L10-A14 PolarHBondContact O-N 3.07Å; C11-A14 PolarHBondContact O-N 2.87Å; A14-A18 WeakPolarHBondContact O-CB 3.04Å; A14-A18 PolarHBondContact O-N 3.43Å
15I62.9Low61.5Low113 Ų113116.4 Ų116.458%0.57964%0.637SS**Hα-helixtrans-72.5-36178.5-65.1162.5000111.3C11 V12 S19C11-I15 WeakPolarHBondContact O-CD1 3.47Å; C11-I15 WeakPolarHBondContact O-CG1 3.49Å; C11-I15 PolarHBondContact O-N 3.39Å; V12-I15 PolarHBondContact O-N 3.19Å; I15-S19 PolarHBondContact O-N 3.32Å; I15-S19 PolarHBondContact O-OG 3.05Å
16S60.2Low61.4Low64 Ų64112.9 Ų112.945%0.44864%0.643SS.*Hα-helixtrans-72-36.7174.658.40000112.5V12 L13 S19V12-S16 PolarHBondContact O-N 3.4Å; V12-S16 PolarHBondContact O-OG 3.41Å; V12-S16 VanDerWaalsContact O-OG 3.11Å; L13-S16 WeakPolarHBondContact CA-OG 3.41Å; L13-S16 PolarHBondContact O-OG 2.74Å; L13-S16 VanDerWaalsContact O-OG 3.06Å; S16-S19 PolarHBondContact O-N 2.79Å
17L58.6Low61.4Low108 Ų108120.6 Ų120.657%0.56566%0.657SS**Hα-helixtrans-66.8-34.8172.2-83.8158.4000112.8L13 S19 M20L13-L17 HydrophobicContact CD2-CD1 4.1Å; L13-L17 WeakPolarHBondContact O-CB 3.11Å; L13-L17 WeakPolarHBondContact O-CD1 3.42Å; L13-L17 WeakPolarHBondContact O-CG 3.41Å; L13-L17 PolarHBondContact O-N 3.3Å; L17-S19 VanDerWaalsContact C-N 3.28Å; L17-S19 PolarHBondContact O-N 3.36Å; L17-M20 PolarHBondContact O-N 2.79Å
18A55.6Low61.2Low65 Ų65114.9 Ų114.954%0.53765%0.653SS.*Hα-helixtrans-70.1-23.5176.400000113.5A14 M20A14-A18 WeakPolarHBondContact O-CB 3.04Å; A14-A18 PolarHBondContact O-N 3.43Å; A18-M20 VanDerWaalsContact C-N 3.3Å; A18-M20 PolarHBondContact O-N 2.82Å
19S53.9Low61.2Low86 Ų86115.3 Ų115.360%0.60166%0.663SS**THydrogen-bonded Turntrans-79.6-10.1179.8-56.50000113.3I15 S16 L17 V21I15-S19 PolarHBondContact O-N 3.32Å; I15-S19 PolarHBondContact O-OG 3.05Å; S16-S19 PolarHBondContact O-N 2.79Å; L17-S19 VanDerWaalsContact C-N 3.28Å; L17-S19 PolarHBondContact O-N 3.36Å; S19-V21 VanDerWaalsContact C-N 3.35Å
20M51.8Low61.3Low163 Ų163117.7 Ų117.780%0.80367%0.672SS**THydrogen-bonded Turntrans-873.6178.8-62.8-160.27700114.4L17 A18L17-M20 PolarHBondContact O-N 2.79Å; A18-M20 VanDerWaalsContact C-N 3.3Å; A18-M20 PolarHBondContact O-N 2.82Å
21V55.8Low61.3Low119 Ų119115.3 Ų115.372%0.72168%0.677SS**SBendtrans-111.3-0.5-168.6-175.20000114.4S19S19-V21 VanDerWaalsContact C-N 3.35Å
22T56.5Low61.2Low119 Ų119122.5 Ų122.573%0.7370%0.702SS**  trans-12921.7-170.556.80000117.7
23E53.9Low61Low186 Ų186127.5 Ų127.587%0.86972%0.716SS**SBendtrans-95.912.4-179.7-105.9-169.4157.800117.4
24D58Low60.8Low152 Ų152126 Ų12681%0.81372%0.723SS**  trans-13527-175.5-84.5-40.5000116.6
25L56.5Low60.6Low169 Ų169132.5 Ų132.589%0.88574%0.744SS**SBendtrans-100.726.7-176.6-148.574.2000116.6
26C58.1Low60.3Low138 Ų138131.9 Ų131.993%0.93276%0.756SS**  trans-142.652.2169.9-800000112.3
27R62.2Low60.1Low210 Ų210132.3 Ų132.379%0.79277%0.77SS**  trans-111.4112165.2-161.9158.1-175.1153.7-0.2109.6
28A61.2Low60.1Low81 Ų81138.7 Ų138.767%0.66979%0.787SS**PPolyproline II helixtrans-57.9137.7170.100000108.8D30A28-D30 PolarHBondContact O-N 3.17Å
29P68.1Low60.2Low127 Ų127141.7 Ų141.783%0.82580%0.8SS**PPolyproline II helixtrans-59.6136.8176.721.9-30000109.8
30D74.1Confident60.3Low139 Ų139141.1 Ų141.174%0.74381%0.808SS**PPolyproline II helixtrans-56.6142.9176.7-67.8-42.1000110.2A28 K32A28-D30 PolarHBondContact O-N 3.17Å; D30-K32 PolarHBondContact O-N 3.18Å
31G69.9Low60.5Low72 Ų72145.5 Ų145.574%0.74282%0.816SS**PPolyproline II helixtrans-56.1141.2177.900000111.6K33G31-K33 PolarHBondContact O-N 2.95Å
32K68.1Low60.4Low208 Ų208151.9 Ų151.990%0.90483%0.827SS**PPolyproline II helixtrans-52.7131.9177.5-68.2-174.6-179.6-179.80109.9D30 G34D30-K32 PolarHBondContact O-N 3.18Å; K32-G34 PolarHBondContact O-N 3.03Å
33K64.7Low60.2Low204 Ų204149.6 Ų149.689%0.88783%0.827SS**PPolyproline II helixtrans-54.8131.8172.8-172.4176.7-179.61780108.7G31G31-K33 PolarHBondContact O-N 2.95Å
34G63.1Low60.2Low64 Ų64152.3 Ų152.366%0.6683%0.83SS**PPolyproline II helixtrans-57.5154.7177.100000112.1K32K32-G34 PolarHBondContact O-N 3.03Å
35E59.8Low60.1Low195 Ų195151.2 Ų151.291%0.91183%0.831SS**PPolyproline II helixtrans-57.9150.3178.8-63.5-166.6158.800112.2
36A56.8Low59.9Low100 Ų100146.8 Ų146.883%0.82683%0.826SS**PPolyproline II helixtrans-63139.7176.200000110.8
37G55.9Low59.5Low73 Ų73148.7 Ų148.775%0.75383%0.826SS**PPolyproline II helixtrans-61.4150.9175.700000112.1
38R57.6Low59.1Low243 Ų243148.4 Ų148.492%0.91783%0.83SS**PPolyproline II helixtrans-62145.5176-65.2-176.9-179.2-175.80.3110.8
39P58.7Low58.9Low127 Ų127147.7 Ų147.783%0.82583%0.831SS**PPolyproline II helixtrans-55146.1173.7-2533.9000112.6
40G55.7Low58.2Low74 Ų74151 Ų15176%0.76384%0.835SS**PPolyproline II helixtrans-63.1158.8175.200000112.9
41R56.1Low57.6Low256 Ų256153.5 Ų153.597%0.96684%0.842SS**PPolyproline II helixtrans-67.2149174.8-63.5-177179.9-171.5-0.1110.6
42R53.3Low56.9Low252 Ų252153.2 Ų153.295%0.95184%0.839SS**PPolyproline II helixtrans-60.3144.4173.2-67.5-173-154.3-179.46.9110.5
43G53.2Low56.5Low72 Ų72152.2 Ų152.274%0.74284%0.838SS**PPolyproline II helixtrans-62.4159.1173.100000112.3
44R53.2Low56.6Low243 Ų243148.5 Ų148.592%0.91784%0.835SS**PPolyproline II helixtrans-73.1150.6174.6-63.7-178.2-178-175.20.3110.4
45P55.8Low56.4Low129 Ų129149.1 Ų149.184%0.83884%0.841SS**PPolyproline II helixtrans-56.4149.1170.4-22.933.6000112.1
46G53.4Low56.1Low75 Ų75144.4 Ų144.477%0.77384%0.835SS**PPolyproline II helixtrans-66.2160.5174.500000112.8
47L48.3Very low56.3Low178 Ų178145.5 Ų145.593%0.93283%0.834SS**PPolyproline II helixtrans-70.3148175.2-64.5170.9000110.8
48K54.9Low56.3Low205 Ų205145.7 Ų145.789%0.89184%0.836SS**PPolyproline II helixtrans-65.7135.7173.8-173.6-179.5178.2-175.80109.2
49G57Low55.8Low66 Ų66141.4 Ų141.468%0.6883%0.829SS**PPolyproline II helixtrans-62.8153.8176.400000112.7
50E53.2Low55.5Low197 Ų197147.3 Ų147.392%0.92184%0.835SS**PPolyproline II helixtrans-68.9151.4177.6-62.4-171.5159.300111.7
51Q60.3Low55.3Low190 Ų190149.9 Ų149.989%0.88884%0.837SS**PPolyproline II helixtrans-72.9134.4177.3180173.6-21.400109.9
52G55.8Low55Low66 Ų66141.6 Ų141.668%0.6883%0.83SS**PPolyproline II helixtrans-63.3148.3178.300000112.9
53E60.3Low54.7Low188 Ų188138 Ų13888%0.87983%0.828SS**PPolyproline II helixtrans-67.6149.4-179.4-63.6-157.5145.300112.9
54P66.8Low54.4Low126 Ų126144 Ų14482%0.81884%0.837SS**PPolyproline II helixtrans-60.4143.6173.8-21.132.6000112.9
55G58Low54.2Low76 Ų76135.7 Ų135.778%0.78483%0.827SS**PPolyproline II helixtrans-64.2145.4176.700000113
56A53.7Low53.7Low96 Ų96138.5 Ų138.579%0.79383%0.834SS**PPolyproline II helixtrans-65.3144.7-178.500000112.7
57P61.1Low53.4Low123 Ų123144.4 Ų144.480%0.79984%0.838SS**PPolyproline II helixtrans-62.4138.8175.2-18.830.7000112.2I59P57-I59 PolarHBondContact O-N 3.5Å
58G55.5Low53.5Low77 Ų77139 Ų13979%0.79483%0.826SS**PPolyproline II helixtrans-66.9129.7176.400000112.4R60G58-R60 PolarHBondContact O-N 3.35Å
59I47.8Very low53.3Low153 Ų153136.9 Ų136.979%0.78582%0.824SS**PPolyproline II helixtrans-74.3120.5176.4-66.2163.2000109P57 T61P57-I59 PolarHBondContact O-N 3.5Å; I59-T61 HydrophobicContact CG2-CG2 4.05Å
60R52.3Low52.9Low252 Ų252142.5 Ų142.595%0.95183%0.833SS**  trans-96111166.9-79.4-176.3170.4167.7-2.3109.4G58G58-R60 PolarHBondContact O-N 3.35Å
61T51.1Low53.2Low128 Ų128135.9 Ų135.979%0.78582%0.818SS**  trans-120.3125.9163.645.30000108.5I59I59-T61 HydrophobicContact CG2-CG2 4.05Å
62G50.3Low52.9Low81 Ų81135.8 Ų135.884%0.83582%0.817SS**  trans-178.8121.3173.900000112.7
63I47.6Very low53.2Low176 Ų176138.1 Ų138.190%0.90382%0.821SS**  trans-79.5144.1-168.5-55.2159.3000110
64Q45.4Very low53.2Low199 Ų199132.2 Ų132.293%0.9381%0.81SS**  trans-75.7127.1-175.7-172.8163.31900112.7
65G50.2Low52.7Low69 Ų69132.4 Ų132.471%0.71181%0.811SS**  trans-134.2152.3167.300000110.9
66L45.4Very low52.8Low188 Ų188134.4 Ų134.498%0.98481%0.813SS**  trans-73157.3-161.4-77.8159.8000116.4
67K46Very low53.2Low198 Ų198133.3 Ų133.386%0.86181%0.811SS**  trans-67.8139.4-160.3-173.8-178.5-175.6-174.40116.5
68G51.8Low52.9Low65 Ų65134.9 Ų134.967%0.6781%0.813SS**  trans-134.5160.4156.100000110.1
69D49.4Very low53.2Low161 Ų161137.2 Ų137.286%0.86181%0.814SS**  trans-62.1149-168.5-65.8-40.9000114.8G71D69-G71 PolarHBondContact O-N 3.42Å
70Q48.3Very low54Low183 Ų183133.3 Ų133.386%0.85581%0.812SS**  trans-67107.7-166.4-176.8175.7-3.700112.4
71G59.4Low54.4Low59 Ų59131.4 Ų131.461%0.60881%0.81SS**PPolyproline II helixtrans-67.7151.2162.500000111.4D69D69-G71 PolarHBondContact O-N 3.42Å
72E55.7Low54.9Low187 Ų187132.2 Ų132.287%0.87481%0.814SS**PPolyproline II helixtrans-53.7140.5177.4-64.5-170.1139.100111.2G74E72-G74 PolarHBondContact O-N 3.43Å
73P60.4Low55.6Low116 Ų116131.2 Ų131.275%0.75381%0.805SS**PPolyproline II helixtrans-56.5125.7178.1-22.532.3000110.9
74G61.4Low56.4Low63 Ų63133.7 Ų133.765%0.64980%0.804SS**PPolyproline II helixtrans-59.1152.5174.200000111.7E72E72-G74 PolarHBondContact O-N 3.43Å
75P56.1Low57.6Low131 Ų131130.1 Ų130.185%0.85180%0.798SS**PPolyproline II helixtrans-57.9144.3-179.724-32.9000111.1G77P75-G77 PolarHBondContact O-N 3.01Å
76S59.9Low58.8Low118 Ų118129.9 Ų129.983%0.82580%0.796SS**PPolyproline II helixtrans-53.8136.6177.4-71.30000111.3
77G61.3Low60.1Low72 Ų72127.3 Ų127.374%0.74279%0.79SS**PPolyproline II helixtrans-60.7142.5175.800000111.6P75P75-G77 PolarHBondContact O-N 3.01Å
78N55.7Low61.4Low157 Ų157123.9 Ų123.984%0.8479%0.791SS**PPolyproline II helixtrans-58.5143178.7-68.7-26.2000111.1
79P62.7Low62.6Low125 Ų125123.9 Ų123.981%0.81279%0.791SS**PPolyproline II helixtrans-53.9142.6174.3-2533.5000112.1
80G63Low63.8Low72 Ų72122.5 Ų122.574%0.74279%0.791SS**PPolyproline II helixtrans-58.5147.5173.900000111.6
81K60.7Low65Low212 Ų212122.2 Ų122.292%0.92280%0.795SS**PPolyproline II helixtrans-62.5139.4177.6-63.9-175.8-179.3-177.50110.1
82V63Low65.8Low144 Ų144122.5 Ų122.587%0.87380%0.798SS**PPolyproline II helixtrans-60.9135.1174.1-178.80000109.3
83G65.1Low66.9Low61 Ų61118.6 Ų118.663%0.62980%0.797SS**PPolyproline II helixtrans-62.6155.2177.900000112.7
84Y63.7Low67.5Low228 Ų228124.8 Ų124.889%0.89481%0.805SS**PPolyproline II helixtrans-66.7149.1178.2-68.5-78.7000111.9
85P71.4Confident68.2Low123 Ų123124.8 Ų124.880%0.79981%0.805SS**PPolyproline II helixtrans-58.5144.7171.4-21.732.6000112
86G74.7Confident69.5Low65 Ų65126.3 Ų126.367%0.6781%0.805SS**PPolyproline II helixtrans-65.3159.7173.900000112.9
87P72.6Confident70.4Confident133 Ų133126.3 Ų126.386%0.86480%0.802SS**PPolyproline II helixtrans-65.9153.5178.628.3-34.5000112.1
88S73Confident71.3Confident126 Ų126126.4 Ų126.488%0.88180%0.803SS**PPolyproline II helixtrans-60140.8173.4-640000111.6
89G76.9Confident72.6Confident65 Ų65127.1 Ų127.167%0.6781%0.805SS**PPolyproline II helixtrans-65.6161.3175.200000113.3
90P74.9Confident73.5Confident133 Ų133130.8 Ų130.886%0.86481%0.808SS**PPolyproline II helixtrans-65.7153.5-179.727.7-34.6000112.4
91L72.5Confident74.4Confident177 Ų177130.4 Ų130.493%0.92780%0.804SS**PPolyproline II helixtrans-62.1136.4174.9-158.484.4000110.3
92G78.1Confident75.6Confident65 Ų65127.1 Ų127.167%0.6780%0.802SS**PPolyproline II helixtrans-62.1152.9177.500000113.1
93A76.9Confident76.6Confident104 Ų104129.8 Ų129.886%0.8680%0.802SS**PPolyproline II helixtrans-60.7147.6179.300000112.5G95A93-G95 PolarHBondContact O-N 3.44Å
94R74.4Confident77.1Confident246 Ų246129.8 Ų129.893%0.92880%0.802SS**PPolyproline II helixtrans-60.8136.6175.1-172.1176179.1171.10.6110
95G75.8Confident77.8Confident63 Ų63124.3 Ų124.365%0.64980%0.797SS**PPolyproline II helixtrans-61.4150.1176.500000112.8A93A93-G95 PolarHBondContact O-N 3.44Å
96I82.8Confident78.1Confident164 Ų164124.2 Ų124.284%0.84180%0.796SS**PPolyproline II helixtrans-66139.8179.5-53.8171.8000109.5
97P80Confident77.8Confident117 Ų117124.6 Ų124.676%0.7680%0.8SS**PPolyproline II helixtrans-52.8143.1171.3-26.235000112.4
98G79.8Confident77.9Confident74 Ų74122 Ų12276%0.76378%0.779SS**PPolyproline II helixtrans-63.4153.1176.700000112.3
99I83.6Confident77.7Confident172 Ų172122.3 Ų122.388%0.88277%0.77SS**PPolyproline II helixtrans-61.5141.5174.753.5169.7000111
100K80.8Confident77.3Confident203 Ų203127.4 Ų127.488%0.88377%0.773SS**PPolyproline II helixtrans-62.5135.9173.3-172177.3179.91780109.2
101G81.7Confident77.5Confident64 Ų64127.2 Ų127.266%0.6677%0.765SS**PPolyproline II helixtrans-60.3154.417500000112.4
102T86.2Confident78.1Confident142 Ų142124.2 Ų124.287%0.87175%0.746SS**PPolyproline II helixtrans-66.4144.9176.549.90000110.9
103K83.9Confident78.6Confident200 Ų200124.6 Ų124.687%0.8774%0.737SS**PPolyproline II helixtrans-62.2137.4171.2-170.7179.8178.5179.50109
104G76.1Confident79.4Confident61 Ų61125.8 Ų125.863%0.62972%0.719SS**PPolyproline II helixtrans-61.1152.9172.200000111.7
105S77.8Confident80.5Confident114 Ų114115.7 Ų115.780%0.79769%0.685SS**PPolyproline II helixtrans-65142.717547.80000111
106P77.3Confident81.5Confident121 Ų121115.1 Ų115.179%0.78667%0.674SS**PPolyproline II helixtrans-55.8143.9167.7-22.133.1000111.1
107G69.1Low82.3Confident73 Ų73110.2 Ų110.275%0.75365%0.647SS**PPolyproline II helixtrans-64.6136172.200000110.9
108N75Confident83.2Confident79 Ų79107.7 Ų107.742%0.42263%0.632SS.*PPolyproline II helixtrans-101.1116.5179.31804.5000109.8K110 D111N108-K110 PolarHBondContact O-N 3.41Å; N108-K110 WeakPolarHBondContact OD1-CB 3.44Å; N108-K110 PolarHBondContact OD1-N 2.82Å; N108-K110 VanDerWaalsContact OD1-N 3.1Å; N108-D111 HydrophobicContact CB-CB 4.46Å; N108-D111 VanDerWaalsContact CB-OD2 3.23Å; N108-D111 WeakPolarHBondContact CB-OD2 3.34Å; N108-D111 PolarHBondContact ND2-OD1 3.25Å; N108-D111 PolarHBondContact ND2-OD2 3.34Å; N108-D111 PolarHBondContact O-N 2.88Å; N108-D111 VanDerWaalsContact O-N 3.07Å
109I68.1Low84Confident132 Ų132105 Ų10568%0.67760%0.603SS**G310 helixtrans-60.9-26.5-178.6-63167.8000111.6D111 Q112I109-D111 VanDerWaalsContact C-N 3.26Å; I109-D111 PolarHBondContact O-N 2.8Å; I109-Q112 PolarHBondContact O-N 2.96Å
110K69.1Low84.7Confident171 Ų17199.9 Ų99.974%0.74358%0.577SS**G310 helixtrans-71.1-21.6178.3-63.9-172.3178.2-176.50113.6N108 Q112N108-K110 PolarHBondContact O-N 3.41Å; N108-K110 WeakPolarHBondContact OD1-CB 3.44Å; N108-K110 PolarHBondContact OD1-N 2.82Å; N108-K110 VanDerWaalsContact OD1-N 3.1Å; K110-Q112 VanDerWaalsContact C-N 3.34Å
111D78.6Confident85.4Confident129 Ų12995.5 Ų95.569%0.6956%0.555SS**G310 helixtrans-92-1.6-178.4-57-28.2000111.8N108 I109N108-D111 HydrophobicContact CB-CB 4.46Å; N108-D111 VanDerWaalsContact CB-OD2 3.23Å; N108-D111 WeakPolarHBondContact CB-OD2 3.34Å; N108-D111 PolarHBondContact ND2-OD1 3.25Å; N108-D111 PolarHBondContact ND2-OD2 3.34Å; N108-D111 PolarHBondContact O-N 2.88Å; N108-D111 VanDerWaalsContact O-N 3.07Å; I109-D111 VanDerWaalsContact C-N 3.26Å; I109-D111 PolarHBondContact O-N 2.8Å
112Q84.6Confident86Confident115 Ų115100.9 Ų100.954%0.53756%0.555SS.*SBendtrans-88.2144.2176.3-67.2-176.34.300111I109 K110I109-Q112 PolarHBondContact O-N 2.96Å; K110-Q112 VanDerWaalsContact C-N 3.34Å
113P89.6Confident86.4Confident72 Ų72101 Ų10147%0.46855%0.55SS.*  trans-64137.7172.626-32000110.8V155P113-V155 HydrophobicContact CB-CB 4.34Å; P113-V155 HydrophobicContact CB-CG1 4.02Å; P113-V155 HydrophobicContact CB-CG2 3.71Å; P113-V155 HydrophobicContact CG-CG1 3.76Å; P113-V155 HydrophobicContact CG-CG2 4.33Å
114R93.9Very high86.5Confident130 Ų13093.2 Ų93.249%0.49152%0.52SS..  trans-128.148.8-177-61.2175.5-63.5164.34.8112.7A116 Q140 E141R114-A116 PolarHBondContact O-N 3.27Å; R114-Q140 HydrophobicContact CB-CG 4.04Å; R114-Q140 WeakPolarHBondContact O-CB 3.48Å; R114-Q140 WeakPolarHBondContact O-CG 3.48Å; R114-E141 VanDerWaalsContact N-CD 3.33Å; R114-E141 PolarHBondContact N-OE1 2.7Å; R114-E141 PolarHBondContact N-OE2 2.8Å
115P96.1Very high87.1Confident33 Ų3393.7 Ų93.721%0.21451%0.512CS..  trans-66.2116.7179.427.7-34.5000110.6E141 P143 Y159P115-E141 WeakPolarHBondContact CD-OE2 3.29Å; P115-P143 HydrophobicContact CB-CG 4.28Å; P115-Y159 HydrophobicContact CB-CE1 4.06Å; P115-Y159 HydrophobicContact CG-CE1 3.61Å; P115-Y159 WeakPolarHBondContact CG-OH 3.23Å
116A97.8Very high87.4Confident51 Ų5197.4 Ų97.442%0.42152%0.519SS..EExtended strand (participates in β ladder)trans-153.7138.3178.200000110.5R114 N139 Q140R114-A116 PolarHBondContact O-N 3.27Å; A116-N139 CarbonylContact O-C 3.45Å; A116-N139 WeakPolarHBondContact O-CA 3.18Å; A116-Q140 HydrophobicContact CB-CB 4.5Å; A116-Q140 PolarHBondContact N-O 3.12Å; A116-Q140 PolarHBondContact O-N 3.26Å
117F98.6Very high87.7Confident61 Ų6194.8 Ų94.827%0.26851%0.514SS..EExtended strand (participates in β ladder)trans-141.2158.317780.9-78.9000112.8T138 N139 Y144 F151 F161F117-T138 CarbonylContact C-O 3.42Å; F117-T138 WeakPolarHBondContact CA-O 3.32Å; F117-T138 WeakPolarHBondContact CB-O 3.16Å; F117-N139 WeakPolarHBondContact CB-OD1 3.46Å; F117-Y144 VanDerWaalsContact CD2-CB 3.5Å; F117-Y144 AromaticContact CD2-CD1 3.98Å; F117-Y144 HydrophobicContact CD2-CD1 3.98Å; F117-Y144 AromaticContact CD2-CD2 3.55Å; F117-Y144 HydrophobicContact CD2-CD2 3.55Å; F117-Y144 HydrophobicContact CD2-CE2 4.25Å; F117-Y144 AromaticContact CD2-CG 3.38Å; F117-Y144 HydrophobicContact CD2-CG 3.38Å; F117-Y144 HydrophobicContact CE2-CD1 4.38Å; F117-Y144 AromaticContact CE2-CD2 3.27Å; F117-Y144 HydrophobicContact CE2-CD2 3.27Å; F117-Y144 AromaticContact CE2-CE2 3.7Å; F117-Y144 HydrophobicContact CE2-CE2 3.7Å; F117-Y144 AromaticContact CE2-CG 3.66Å; F117-Y144 HydrophobicContact CE2-CG 3.66Å; F117-Y144 HydrophobicContact CG-CD2 4.29Å; F117-Y144 AromaticContact CG-CG 3.99Å; F117-Y144 HydrophobicContact CG-CG 3.99Å; F117-Y144 AromaticContact CZ-CD2 3.82Å; F117-Y144 HydrophobicContact CZ-CD2 3.82Å; F117-Y144 HydrophobicContact CZ-CE2 4.35Å; F117-Y144 HydrophobicContact CZ-CG 4.46Å; F117-F151 AromaticContact CD1-CD2 3.63Å; F117-F151 HydrophobicContact CD1-CD2 3.63Å; F117-F151 HydrophobicContact CD1-CE2 4.13Å; F117-F151 HydrophobicContact CE1-CB 4.16Å; F117-F151 AromaticContact CE1-CD2 3.49Å; F117-F151 HydrophobicContact CE1-CD2 3.49Å; F117-F151 VanDerWaalsContact CE1-CD2 3.49Å; F117-F151 HydrophobicContact CE1-CE2 4.23Å; F117-F151 HydrophobicContact CE1-CG 4.15Å; F117-F151 HydrophobicContact CZ-CB 4.38Å; F117-F151 HydrophobicContact CZ-CD2 4.46Å; F117-F161 HydrophobicContact CE1-CD1 4.13Å; F117-F161 AromaticContact CE1-CE1 3.92Å; F117-F161 HydrophobicContact CE1-CE1 3.92Å; F117-F161 HydrophobicContact CZ-CD1 4.36Å; F117-F161 HydrophobicContact CZ-CE1 4.46Å
118S98.7Very high88.8Confident64 Ų6494 Ų9445%0.44851%0.505SS..EExtended strand (participates in β ladder)trans-149.4131.4167.6-660000107.5I137 T138S118-I137 WeakPolarHBondContact O-CA 3.23Å; S118-I137 WeakPolarHBondContact O-CB 3.3Å; S118-I137 PolarHBondContact O-N 2.81Å; S118-T138 PolarHBondContact N-O 3.44Å; S118-T138 PolarHBondContact O-N 3Å
119A98.3Very high89.6Confident19 Ų1994.3 Ų94.316%0.15751%0.507CS..EExtended strand (participates in β ladder)trans-140.7150.5-178.600000110F133 T135 Y144A119-F133 HydrophobicContact CB-CB 3.62Å; A119-T135 CarbonylContact C-O 3.54Å; A119-T135 WeakPolarHBondContact CA-O 3.28Å; A119-Y144 HydrophobicContact CB-CD1 4.04Å; A119-Y144 HydrophobicContact CB-CE1 3.53Å
120I98Very high91Very high63 Ų6389.5 Ų89.532%0.32348%0.484SS..EExtended strand (participates in β ladder)trans-123.1164.9-18061.8172.6000110.3R122 F133 D134 T135 I137I120-R122 HydrophobicContact CD1-CG 4.18Å; I120-R122 HydrophobicContact CG1-CG 4.45Å; I120-F133 CarbonylContact O-C 3.55Å; I120-D134 PolarHBondContact O-N 3.24Å; I120-T135 HydrophobicContact CD1-CG2 4.21Å; I120-T135 HydrophobicContact CG1-CG2 3.91Å; I120-T135 PolarHBondContact N-O 2.96Å; I120-T135 PolarHBondContact O-N 3.4Å; I120-I137 HydrophobicContact CD1-CD1 4.36Å; I120-I137 HydrophobicContact CG1-CD1 4.38Å; I120-I137 HydrophobicContact CG1-CG1 4.39Å; I120-I137 HydrophobicContact CG2-CD1 3.55Å; I120-I137 HydrophobicContact CG2-CG1 4.29Å
121R95.9Very high92.3Very high112 Ų11282 Ų8242%0.42345%0.452SS..  trans-95124.8173.5-70171.664.386-5.8109.3P124 I132 F133 D134R121-P124 HydrophobicContact CB-CG 4.44Å; R121-P124 VanDerWaalsContact CZ-CG 3.48Å; R121-P124 VanDerWaalsContact NH2-CG 3.3Å; R121-I132 WeakPolarHBondContact CG-O 3.21Å; R121-I132 PolarHBondContact NH1-O 2.81Å; R121-F133 HydrophobicContact CG-CB 4.4Å; R121-F133 HydrophobicContact CG-CD1 3.72Å; R121-F133 HydrophobicContact CG-CE1 4.25Å; R121-F133 HydrophobicContact CG-CG 4.16Å; R121-D134 WeakPolarHBondContact CA-OD1 3.13Å
122R93.9Very high93.2Very high177 Ų17776.8 Ų76.867%0.66842%0.424SS*.SBendtrans-124-58.3168.3-69.4-159.7178.2-162.83.3110.9I120 P124 D134 T135I120-R122 HydrophobicContact CD1-CG 4.18Å; I120-R122 HydrophobicContact CG1-CG 4.45Å; R122-P124 VanDerWaalsContact C-CD 3.43Å; R122-D134 PolarHBondContact N-OD1 2.87Å; R122-D134 PolarHBondContact N-OD2 3.28Å; R122-T135 WeakPolarHBondContact CB-OG1 3.37Å; R122-T135 HydrophobicContact CG-CG2 4.33Å
123N92.9Very high93.8Very high145 Ų14572.7 Ų72.778%0.77541%0.405SS*.SBendtrans-128.864.2177.9-63.4-46.3000109.9D134N123-D134 PolarHBondContact N-OD1 2.58Å; N123-D134 PolarHBondContact N-OD2 2.97Å
124P87.9Confident94.2Very high35 Ų3570.6 Ų70.623%0.22739%0.39CS..PPolyproline II helixtrans-69.7143.6-173.628.8-34.9000111.1R121 R122 D134R121-P124 HydrophobicContact CB-CG 4.44Å; R121-P124 VanDerWaalsContact CZ-CG 3.48Å; R121-P124 VanDerWaalsContact NH2-CG 3.3Å; R122-P124 VanDerWaalsContact C-CD 3.43Å; P124-D134 WeakPolarHBondContact CA-OD1 3.38Å
125P88.6Confident94.4Very high71 Ų7166.4 Ų66.446%0.46138%0.379SS..PPolyproline II helixtrans-54.3143169.9-21.931.4000111.4I132P125-I132 HydrophobicContact CB-CD1 4.12Å; P125-I132 HydrophobicContact CG-CD1 3.98Å; P125-I132 HydrophobicContact CG-CG2 4.38Å
126M83.9Confident94.5Very high193 Ų19367.6 Ų67.695%0.95139%0.385SS*.PPolyproline II helixtrans-86.9141.7176.5-68.3-173.873.100111.3
127G84.1Confident94.5Very high65 Ų6570.3 Ų70.367%0.6739%0.391SS*.  trans104.7163.517300000114.5
128G90.8Very high94.5Very high56 Ų5670.6 Ų70.658%0.57740%0.398SS*.SBendtrans75.6174.1-17600000114.4K219G128-K219 WeakPolarHBondContact O-CE 3.47Å
129N93.3Very high94.5Very high86 Ų8668.1 Ų68.146%0.4638%0.38SS..SBendtrans-95.4-13.4177.9-64.7-8.2000112.4E218 K219N129-E218 HydrophobicContact CB-CG 4.43Å; N129-E218 CarbonylContact O-C 3.58Å; N129-E218 WeakPolarHBondContact O-CA 3.36Å; N129-K219 WeakPolarHBondContact O-CG 3.49Å; N129-K219 PolarHBondContact O-N 3.06Å
130V95.9Very high94.4Very high32 Ų3271.3 Ų71.319%0.19439%0.392CS..BIsolated β-bridgetrans-75.2127.6177.8-177.70000109.9I132 S148 W216 E218V130-I132 HydrophobicContact CG1-CG1 4.36Å; V130-I132 PolarHBondContact O-N 3.1Å; V130-S148 WeakPolarHBondContact CG1-O 3.42Å; V130-W216 HydrophobicContact CG1-CB 4.27Å; V130-W216 HydrophobicContact CG1-CG 4.27Å; V130-E218 HydrophobicContact CG2-CG 4.26Å
131V96Very high94.3Very high12 Ų1272.5 Ų72.57%0.07340%0.396CS..  trans-83.5101.4174.2-176.40000108.7F133 L173 V217 K219V131-F133 HydrophobicContact CB-CE2 4.29Å; V131-F133 HydrophobicContact CG1-CD2 4.47Å; V131-F133 HydrophobicContact CG1-CE2 3.82Å; V131-F133 HydrophobicContact CG1-CZ 3.86Å; V131-F133 WeakPolarHBondContact O-CD2 3.42Å; V131-F133 WeakPolarHBondContact O-CE2 3.23Å; V131-L173 HydrophobicContact CG2-CD2 3.87Å; V131-V217 HydrophobicContact CB-CB 4.14Å; V131-V217 HydrophobicContact CB-CG1 4.07Å; V131-V217 HydrophobicContact CG2-CG1 4.01Å; V131-V217 PolarHBondContact N-O 2.96Å; V131-K219 HydrophobicContact CG2-CB 4.11Å; V131-K219 HydrophobicContact CG2-CG 4.42Å
132I97.6Very high94.3Very high21 Ų2173.8 Ų73.811%0.10841%0.407CS..  trans-83.1124-179.5-58.5174.9000110.2R121 P125 V130 N146R121-I132 WeakPolarHBondContact CG-O 3.21Å; R121-I132 PolarHBondContact NH1-O 2.81Å; P125-I132 HydrophobicContact CB-CD1 4.12Å; P125-I132 HydrophobicContact CG-CD1 3.98Å; P125-I132 HydrophobicContact CG-CG2 4.38Å; V130-I132 HydrophobicContact CG1-CG1 4.36Å; V130-I132 PolarHBondContact O-N 3.1Å; I132-N146 WeakPolarHBondContact CG2-O 3.34Å
133F97.8Very high94.5Very high28 Ų2865.8 Ų65.812%0.12338%0.378CS..  trans-100.692.7171.7-56.2-102.6000108.3A119 I120 R121 V131 T135 Y144 V165 V217A119-F133 HydrophobicContact CB-CB 3.62Å; I120-F133 CarbonylContact O-C 3.55Å; R121-F133 HydrophobicContact CG-CB 4.4Å; R121-F133 HydrophobicContact CG-CD1 3.72Å; R121-F133 HydrophobicContact CG-CE1 4.25Å; R121-F133 HydrophobicContact CG-CG 4.16Å; V131-F133 HydrophobicContact CB-CE2 4.29Å; V131-F133 HydrophobicContact CG1-CD2 4.47Å; V131-F133 HydrophobicContact CG1-CE2 3.82Å; V131-F133 HydrophobicContact CG1-CZ 3.86Å; V131-F133 WeakPolarHBondContact O-CD2 3.42Å; V131-F133 WeakPolarHBondContact O-CE2 3.23Å; F133-T135 PolarHBondContact O-N 3.43Å; F133-Y144 VanDerWaalsContact CB-OH 3.29Å; F133-Y144 WeakPolarHBondContact CB-OH 3.4Å; F133-Y144 PolarHBondContact N-OH 3.17Å; F133-Y144 VanDerWaalsContact N-OH 3.12Å; F133-Y144 WeakPolarHBondContact O-CE1 3.18Å; F133-Y144 PolarHBondContact O-OH 2.68Å; F133-V165 HydrophobicContact CE1-CG2 4.13Å; F133-V165 HydrophobicContact CZ-CG2 3.95Å; F133-V217 HydrophobicContact CE2-CB 4.29Å; F133-V217 HydrophobicContact CE2-CG2 4.2Å
134D97.4Very high94.8Very high28 Ų2859.4 Ų59.415%0.1534%0.343CS..  trans-70.4-28.1-16756.9-75.3000114.4I120 R121 R122 N123 P124 N146I120-D134 PolarHBondContact O-N 3.24Å; R121-D134 WeakPolarHBondContact CA-OD1 3.13Å; R122-D134 PolarHBondContact N-OD1 2.87Å; R122-D134 PolarHBondContact N-OD2 3.28Å; N123-D134 PolarHBondContact N-OD1 2.58Å; N123-D134 PolarHBondContact N-OD2 2.97Å; P124-D134 WeakPolarHBondContact CA-OD1 3.38Å; D134-N146 WeakPolarHBondContact O-CB 3.45Å; D134-N146 PolarHBondContact O-ND2 2.99Å
135T98.1Very high95.3Very high43 Ų4360.9 Ų60.926%0.26435%0.347SS..EExtended strand (participates in β ladder)trans-105.3108.2-173.2-63.30000110A119 I120 R122 F133A119-T135 CarbonylContact C-O 3.54Å; A119-T135 WeakPolarHBondContact CA-O 3.28Å; I120-T135 HydrophobicContact CD1-CG2 4.21Å; I120-T135 HydrophobicContact CG1-CG2 3.91Å; I120-T135 PolarHBondContact N-O 2.96Å; I120-T135 PolarHBondContact O-N 3.4Å; R122-T135 WeakPolarHBondContact CB-OG1 3.37Å; R122-T135 HydrophobicContact CG-CG2 4.33Å; F133-T135 PolarHBondContact O-N 3.43Å
136V98.4Very high95.7Very high57 Ų5760.8 Ų60.835%0.34534%0.342SS..EExtended strand (participates in β ladder)trans-75.3132.8179.2176.30000110.8N139 Y144 N146V136-N139 HydrophobicContact CG1-CB 3.63Å; V136-Y144 HydrophobicContact CG2-CD1 4.39Å; V136-N146 HydrophobicContact CG2-CB 3.81Å
137I98.3Very high96.3Very high108 Ų10857.8 Ų57.855%0.55433%0.326SS*.EExtended strand (participates in β ladder)trans-97.1-50.3168.6-60.6-177.5000109.8S118 I120S118-I137 WeakPolarHBondContact O-CA 3.23Å; S118-I137 WeakPolarHBondContact O-CB 3.3Å; S118-I137 PolarHBondContact O-N 2.81Å; I120-I137 HydrophobicContact CD1-CD1 4.36Å; I120-I137 HydrophobicContact CG1-CD1 4.38Å; I120-I137 HydrophobicContact CG1-CG1 4.39Å; I120-I137 HydrophobicContact CG2-CD1 3.55Å; I120-I137 HydrophobicContact CG2-CG1 4.29Å
138T98.4Very high96.9Very high68 Ų6855.9 Ų55.942%0.41730%0.302SS..EExtended strand (participates in β ladder)trans-136.6140.1179.3-54.60000108.3F117 S118F117-T138 CarbonylContact C-O 3.42Å; F117-T138 WeakPolarHBondContact CA-O 3.32Å; F117-T138 WeakPolarHBondContact CB-O 3.16Å; S118-T138 PolarHBondContact N-O 3.44Å; S118-T138 PolarHBondContact O-N 3Å
139N98.2Very high97.2Very high12 Ų1253.3 Ų53.36%0.06428%0.275CS..EExtended strand (participates in β ladder)trans-153.259.5174.6-15819.7000111A116 F117 V136 E141 E142 P143 Y144A116-N139 CarbonylContact O-C 3.45Å; A116-N139 WeakPolarHBondContact O-CA 3.18Å; F117-N139 WeakPolarHBondContact CB-OD1 3.46Å; V136-N139 HydrophobicContact CG1-CB 3.63Å; N139-E141 PolarHBondContact O-N 3.3Å; N139-E142 WeakPolarHBondContact CB-OE2 3.48Å; N139-E142 WeakPolarHBondContact ND2-CA 3.36Å; N139-E142 PolarHBondContact ND2-OE2 2.9Å; N139-E142 WeakPolarHBondContact O-CA 3.35Å; N139-E142 VanDerWaalsContact O-CD 3.25Å; N139-E142 PolarHBondContact O-N 2.83Å; N139-E142 VanDerWaalsContact O-OE1 3.07Å; N139-P143 VanDerWaalsContact OD1-CD 3.23Å; N139-P143 WeakPolarHBondContact OD1-CD 3.4Å; N139-Y144 PolarHBondContact ND2-O 3.22Å; N139-Y144 WeakPolarHBondContact OD1-CB 3.32Å; N139-Y144 PolarHBondContact OD1-N 2.79Å
140Q96.9Very high97.4Very high86 Ų8651.9 Ų51.940%0.40226%0.264SS..EExtended strand (participates in β ladder)trans-60.8125.6-179.9-176.563.553.200110.1R114 A116 E142 P143R114-Q140 HydrophobicContact CB-CG 4.04Å; R114-Q140 WeakPolarHBondContact O-CB 3.48Å; R114-Q140 WeakPolarHBondContact O-CG 3.48Å; A116-Q140 HydrophobicContact CB-CB 4.5Å; A116-Q140 PolarHBondContact N-O 3.12Å; A116-Q140 PolarHBondContact O-N 3.26Å; Q140-E142 PolarHBondContact O-N 2.86Å; Q140-P143 WeakPolarHBondContact O-CD 3.39Å
141E95.3Very high97.5Very high87 Ų8750.6 Ų50.641%0.40726%0.255SS..THydrogen-bonded Turntrans67.712.5-172.1-59.1174.8-173.200114.7R114 P115 N139 P143R114-E141 VanDerWaalsContact N-CD 3.33Å; R114-E141 PolarHBondContact N-OE1 2.7Å; R114-E141 PolarHBondContact N-OE2 2.8Å; P115-E141 WeakPolarHBondContact CD-OE2 3.29Å; N139-E141 PolarHBondContact O-N 3.3Å; E141-P143 WeakPolarHBondContact O-CD 3.38Å
142E97.9Very high97.6Very high140 Ų14051.5 Ų51.565%0.65426%0.261SS*.SBendtrans49.639.5175.5-53-61.214900116.5N139 Q140 Y144N139-E142 WeakPolarHBondContact CB-OE2 3.48Å; N139-E142 WeakPolarHBondContact ND2-CA 3.36Å; N139-E142 PolarHBondContact ND2-OE2 2.9Å; N139-E142 WeakPolarHBondContact O-CA 3.35Å; N139-E142 VanDerWaalsContact O-CD 3.25Å; N139-E142 PolarHBondContact O-N 2.83Å; N139-E142 VanDerWaalsContact O-OE1 3.07Å; Q140-E142 PolarHBondContact O-N 2.86Å; E142-Y144 VanDerWaalsContact C-N 3.3Å; E142-Y144 PolarHBondContact O-N 2.86Å
143P98.1Very high97.7Very high8 Ų850.5 Ų50.55%0.05226%0.256CS..  trans-75.1-16.7-177.934.1-40.2000113.7P115 N139 Q140 E141 F151 V152P115-P143 HydrophobicContact CB-CG 4.28Å; N139-P143 VanDerWaalsContact OD1-CD 3.23Å; N139-P143 WeakPolarHBondContact OD1-CD 3.4Å; Q140-P143 WeakPolarHBondContact O-CD 3.39Å; E141-P143 WeakPolarHBondContact O-CD 3.38Å; P143-F151 HydrophobicContact CB-CD2 3.77Å; P143-F151 HydrophobicContact CB-CE2 3.39Å; P143-F151 HydrophobicContact CB-CZ 4.03Å; P143-F151 HydrophobicContact CG-CD2 4.01Å; P143-F151 HydrophobicContact CG-CE2 3.58Å; P143-F151 CarbonylContact O-C 3.52Å; P143-F151 WeakPolarHBondContact O-CA 3.34Å; P143-V152 PolarHBondContact O-N 2.89Å
144Y98.7Very high97.6Very high11 Ų1153.4 Ų53.44%0.04328%0.276CS..EExtended strand (participates in β ladder)trans-97.2134-180-178.2-103.8000113F117 A119 F133 V136 N139 E142 N146 G149 F151F117-Y144 VanDerWaalsContact CD2-CB 3.5Å; F117-Y144 AromaticContact CD2-CD1 3.98Å; F117-Y144 HydrophobicContact CD2-CD1 3.98Å; F117-Y144 AromaticContact CD2-CD2 3.55Å; F117-Y144 HydrophobicContact CD2-CD2 3.55Å; F117-Y144 HydrophobicContact CD2-CE2 4.25Å; F117-Y144 AromaticContact CD2-CG 3.38Å; F117-Y144 HydrophobicContact CD2-CG 3.38Å; F117-Y144 HydrophobicContact CE2-CD1 4.38Å; F117-Y144 AromaticContact CE2-CD2 3.27Å; F117-Y144 HydrophobicContact CE2-CD2 3.27Å; F117-Y144 AromaticContact CE2-CE2 3.7Å; F117-Y144 HydrophobicContact CE2-CE2 3.7Å; F117-Y144 AromaticContact CE2-CG 3.66Å; F117-Y144 HydrophobicContact CE2-CG 3.66Å; F117-Y144 HydrophobicContact CG-CD2 4.29Å; F117-Y144 AromaticContact CG-CG 3.99Å; F117-Y144 HydrophobicContact CG-CG 3.99Å; F117-Y144 AromaticContact CZ-CD2 3.82Å; F117-Y144 HydrophobicContact CZ-CD2 3.82Å; F117-Y144 HydrophobicContact CZ-CE2 4.35Å; F117-Y144 HydrophobicContact CZ-CG 4.46Å; A119-Y144 HydrophobicContact CB-CD1 4.04Å; A119-Y144 HydrophobicContact CB-CE1 3.53Å; F133-Y144 VanDerWaalsContact CB-OH 3.29Å; F133-Y144 WeakPolarHBondContact CB-OH 3.4Å; F133-Y144 PolarHBondContact N-OH 3.17Å; F133-Y144 VanDerWaalsContact N-OH 3.12Å; F133-Y144 WeakPolarHBondContact O-CE1 3.18Å; F133-Y144 PolarHBondContact O-OH 2.68Å; V136-Y144 HydrophobicContact CG2-CD1 4.39Å; N139-Y144 PolarHBondContact ND2-O 3.22Å; N139-Y144 WeakPolarHBondContact OD1-CB 3.32Å; N139-Y144 PolarHBondContact OD1-N 2.79Å; E142-Y144 VanDerWaalsContact C-N 3.3Å; E142-Y144 PolarHBondContact O-N 2.86Å; Y144-N146 HydrophobicContact CE1-CB 4.14Å; Y144-G149 WeakPolarHBondContact OH-CA 3.44Å; Y144-F151 HydrophobicContact CD2-CB 4.48Å
145Q98.3Very high97.6Very high67 Ų6754.2 Ų54.231%0.31328%0.282SS..EExtended strand (participates in β ladder)trans-105104.7177.8-64.6178.55.900110.8H147 S148 G149 R150 V152Q145-H147 VanDerWaalsContact C-N 3.3Å; Q145-H147 PolarHBondContact O-N 3.49Å; Q145-H147 PolarHBondContact OE1-CE1 2.75Å; Q145-S148 WeakPolarHBondContact CB-OG 3.12Å; Q145-S148 PolarHBondContact O-N 2.97Å; Q145-S148 PolarHBondContact O-OG 2.89Å; Q145-S148 PolarHBondContact OE1-OG 2.94Å; Q145-G149 PolarHBondContact O-N 3.31Å; Q145-R150 WeakPolarHBondContact CB-O 3.46Å; Q145-R150 PolarHBondContact N-O 2.82Å; Q145-R150 PolarHBondContact O-N 2.93Å; Q145-V152 HydrophobicContact CG-CG2 4.49Å
146N97Very high97.5Very high69 Ų6956.1 Ų56.137%0.36930%0.295SS..THydrogen-bonded Turntrans-69.4-22.3-17768.4-15.7000114.7I132 D134 V136 Y144I132-N146 WeakPolarHBondContact CG2-O 3.34Å; D134-N146 WeakPolarHBondContact O-CB 3.45Å; D134-N146 PolarHBondContact O-ND2 2.99Å; V136-N146 HydrophobicContact CG2-CB 3.81Å; Y144-N146 HydrophobicContact CE1-CB 4.14Å
147H95.6Very high97.4Very high130 Ų13054.7 Ų54.760%0.60229%0.291SS*.THydrogen-bonded Turntrans-77.9-22.9176.159.871.9000112.8Q145Q145-H147 VanDerWaalsContact C-N 3.3Å; Q145-H147 PolarHBondContact O-N 3.49Å; Q145-H147 PolarHBondContact OE1-CE1 2.75Å
148S96.6Very high97.4Very high24 Ų2457.3 Ų57.317%0.16830%0.295CS..THydrogen-bonded Turntrans-115-15.5-17667.30000113.6V130 Q145 R150V130-S148 WeakPolarHBondContact CG1-O 3.42Å; Q145-S148 WeakPolarHBondContact CB-OG 3.12Å; Q145-S148 PolarHBondContact O-N 2.97Å; Q145-S148 PolarHBondContact O-OG 2.89Å; Q145-S148 PolarHBondContact OE1-OG 2.94Å; S148-R150 VanDerWaalsContact C-N 3.29Å; S148-R150 WeakPolarHBondContact OG-CB 3.47Å; S148-R150 PolarHBondContact OG-N 3.29Å
149G97.3Very high97.4Very high2 Ų255.4 Ų55.42%0.02128%0.281CS..THydrogen-bonded Turntrans77.812.9-175.100000114Y144 Q145 W216Y144-G149 WeakPolarHBondContact OH-CA 3.44Å; Q145-G149 PolarHBondContact O-N 3.31Å; G149-W216 WeakPolarHBondContact O-CB 3.15Å
150R98Very high97.4Very high57 Ų5762.2 Ų62.222%0.21531%0.307CS..EExtended strand (participates in β ladder)trans-112.3132.1-168.8-64.9168.5176.5-82.3-14.7111.9Q145 S148 W216Q145-R150 WeakPolarHBondContact CB-O 3.46Å; Q145-R150 PolarHBondContact N-O 2.82Å; Q145-R150 PolarHBondContact O-N 2.93Å; S148-R150 VanDerWaalsContact C-N 3.29Å; S148-R150 WeakPolarHBondContact OG-CB 3.47Å; S148-R150 PolarHBondContact OG-N 3.29Å; R150-W216 HydrophobicContact CG-CB 4Å; R150-W216 HydrophobicContact CG-CD2 4.42Å; R150-W216 HydrophobicContact CG-CE3 4.4Å; R150-W216 HydrophobicContact CG-CG 4.28Å; R150-W216 VanDerWaalsContact NH1-CH2 3.31Å
151F98.6Very high97.5Very high4 Ų458.9 Ų58.92%0.01829%0.291CS..EExtended strand (participates in β ladder)trans-81.9139.9161.4173.8-87.8000109.7F117 P143 Y144 C153 Y159 F161 L209 Q214 V215F117-F151 AromaticContact CD1-CD2 3.63Å; F117-F151 HydrophobicContact CD1-CD2 3.63Å; F117-F151 HydrophobicContact CD1-CE2 4.13Å; F117-F151 HydrophobicContact CE1-CB 4.16Å; F117-F151 AromaticContact CE1-CD2 3.49Å; F117-F151 HydrophobicContact CE1-CD2 3.49Å; F117-F151 VanDerWaalsContact CE1-CD2 3.49Å; F117-F151 HydrophobicContact CE1-CE2 4.23Å; F117-F151 HydrophobicContact CE1-CG 4.15Å; F117-F151 HydrophobicContact CZ-CB 4.38Å; F117-F151 HydrophobicContact CZ-CD2 4.46Å; P143-F151 HydrophobicContact CB-CD2 3.77Å; P143-F151 HydrophobicContact CB-CE2 3.39Å; P143-F151 HydrophobicContact CB-CZ 4.03Å; P143-F151 HydrophobicContact CG-CD2 4.01Å; P143-F151 HydrophobicContact CG-CE2 3.58Å; P143-F151 CarbonylContact O-C 3.52Å; P143-F151 WeakPolarHBondContact O-CA 3.34Å; Y144-F151 HydrophobicContact CD2-CB 4.48Å; F151-C153 HydrophobicContact CE1-CB 4Å; F151-Y159 AromaticContact CZ-CD1 3.91Å; F151-Y159 HydrophobicContact CZ-CD1 3.91Å; F151-Y159 AromaticContact CZ-CE1 3.72Å; F151-Y159 HydrophobicContact CZ-CE1 3.72Å; F151-F161 HydrophobicContact CB-CE1 4.04Å; F151-F161 AromaticContact CD1-CE1 3.82Å; F151-F161 HydrophobicContact CD1-CE1 3.82Å; F151-F161 AromaticContact CD1-CZ 3.64Å; F151-F161 HydrophobicContact CD1-CZ 3.64Å; F151-F161 HydrophobicContact CD2-CE1 4.04Å; F151-F161 HydrophobicContact CD2-CZ 4.48Å; F151-F161 HydrophobicContact CE1-CE1 4.25Å; F151-F161 AromaticContact CE1-CZ 3.76Å; F151-F161 HydrophobicContact CE1-CZ 3.76Å; F151-F161 HydrophobicContact CE2-CE1 4.41Å; F151-F161 AromaticContact CG-CE1 3.7Å; F151-F161 HydrophobicContact CG-CE1 3.7Å; F151-F161 HydrophobicContact CG-CZ 4.03Å; F151-F161 HydrophobicContact CZ-CZ 4.22Å; F151-L209 HydrophobicContact CD1-CD1 4.27Å; F151-L209 HydrophobicContact CE1-CD1 3.78Å; F151-Q214 CarbonylContact O-C 3.44Å; F151-Q214 WeakPolarHBondContact O-CA 3.46Å; F151-V215 HydrophobicContact CB-CB 4.34Å; F151-V215 HydrophobicContact CD1-CB 4.39Å; F151-V215 HydrophobicContact CD1-CG2 4.43Å; F151-V215 PolarHBondContact N-O 2.97Å; F151-V215 PolarHBondContact O-N 2.83Å
152V98.3Very high97.6Very high31 Ų3158.1 Ų58.119%0.18829%0.292CS..EExtended strand (participates in β ladder)trans-122118.8175.5-173.90000109.7P143 Q145 T154 Q214P143-V152 PolarHBondContact O-N 2.89Å; Q145-V152 HydrophobicContact CG-CG2 4.49Å; V152-T154 PolarHBondContact O-N 2.82Å; V152-Q214 HydrophobicContact CG2-CG 4.26Å
153C98.1Very high97.6Very high1 Ų151.7 Ų51.71%0.00726%0.262CS..  trans-72.2117.8-179.4-177.10000111F151 V155 L209 Q210 G212 D213F151-C153 HydrophobicContact CE1-CB 4Å; C153-V155 PolarHBondContact SG-O 3.47Å; C153-L209 HydrophobicContact CB-CB 4.02Å; C153-L209 HydrophobicContact CB-CD1 4.08Å; C153-Q210 VanDerWaalsContact CB-O 3.3Å; C153-Q210 WeakPolarHBondContact CB-O 3.45Å; C153-Q210 PolarHBondContact SG-O 2.89Å; C153-G212 PolarHBondContact O-N 3.4Å; C153-D213 HydrophobicContact CB-CB 4.39Å; C153-D213 WeakPolarHBondContact CB-O 3.19Å; C153-D213 PolarHBondContact N-O 2.74Å
154T96.9Very high97.6Very high89 Ų8957.2 Ų57.255%0.54629%0.287SS..SBendtrans-98.5-33.6170.8-58.70000111.7V152V152-T154 PolarHBondContact O-N 2.82Å
155V96.3Very high97.5Very high45 Ų4557.4 Ų57.427%0.27329%0.289SS..SBendtrans-110.7110.8-177.8179.30000108.9P113 C153 Y159P113-V155 HydrophobicContact CB-CB 4.34Å; P113-V155 HydrophobicContact CB-CG1 4.02Å; P113-V155 HydrophobicContact CB-CG2 3.71Å; P113-V155 HydrophobicContact CG-CG1 3.76Å; P113-V155 HydrophobicContact CG-CG2 4.33Å; C153-V155 PolarHBondContact SG-O 3.47Å; V155-Y159 VanDerWaalsContact O-CE2 3.23Å; V155-Y159 WeakPolarHBondContact O-CE2 3.2Å; V155-Y159 VanDerWaalsContact O-CZ 3.32Å; V155-Y159 PolarHBondContact O-OH 2.73Å
156P97.2Very high97.3Very high83 Ų8359 Ų5954%0.53930%0.3SS..  trans-58.6140.8178.4-23.232.8000112.1L209 Q211P156-L209 VanDerWaalsContact CA-O 3.32Å; P156-L209 WeakPolarHBondContact CA-O 3.36Å; P156-Q211 HydrophobicContact CG-CB 4.09Å
157G96.4Very high96.9Very high26 Ų2656.7 Ų56.727%0.26829%0.289SS..EExtended strand (participates in β ladder)trans163.1-168.6-178.600000113.8Q208 L209G157-Q208 WeakPolarHBondContact O-CA 3.38Å; G157-L209 PolarHBondContact N-O 3.06Å; G157-L209 PolarHBondContact O-N 3.47Å
158Y97.8Very high96.7Very high163 Ų16354 Ų5464%0.63928%0.277SS*.EExtended strand (participates in β ladder)trans-95.2127.8173.7-66.7-88.6000109.5V206 L207 Q208Y158-V206 HydrophobicContact CD1-CG1 4.11Å; Y158-L207 WeakPolarHBondContact CA-O 3.38Å; Y158-Q208 HydrophobicContact CD1-CB 3.83Å; Y158-Q208 HydrophobicContact CD1-CG 4.12Å; Y158-Q208 HydrophobicContact CE1-CB 3.61Å; Y158-Q208 HydrophobicContact CE1-CG 3.74Å; Y158-Q208 HydrophobicContact CE2-CG 4.32Å; Y158-Q208 VanDerWaalsContact CZ-CD 3.48Å; Y158-Q208 VanDerWaalsContact OH-CD 3.29Å; Y158-Q208 PolarHBondContact OH-NE2 3.06Å; Y158-Q208 PolarHBondContact OH-OE1 3.43Å
159Y98.1Very high96.2Very high29 Ų2960.2 Ų60.211%0.11430%0.297CS..EExtended strand (participates in β ladder)trans-122.9144.3-179.4-73.1-97.5000109.7P115 F151 V155 F161 V206 L207 L209P115-Y159 HydrophobicContact CB-CE1 4.06Å; P115-Y159 HydrophobicContact CG-CE1 3.61Å; P115-Y159 WeakPolarHBondContact CG-OH 3.23Å; F151-Y159 AromaticContact CZ-CD1 3.91Å; F151-Y159 HydrophobicContact CZ-CD1 3.91Å; F151-Y159 AromaticContact CZ-CE1 3.72Å; F151-Y159 HydrophobicContact CZ-CE1 3.72Å; V155-Y159 VanDerWaalsContact O-CE2 3.23Å; V155-Y159 WeakPolarHBondContact O-CE2 3.2Å; V155-Y159 VanDerWaalsContact O-CZ 3.32Å; V155-Y159 PolarHBondContact O-OH 2.73Å; Y159-F161 VanDerWaalsContact CB-CE2 3.4Å; Y159-F161 HydrophobicContact CG-CE2 4.35Å; Y159-F161 HydrophobicContact CG-CZ 4.38Å; Y159-V206 CarbonylContact O-C 3.58Å; Y159-V206 VanDerWaalsContact O-CA 3.28Å; Y159-V206 WeakPolarHBondContact O-CA 3.02Å; Y159-L207 PolarHBondContact N-O 3.11Å; Y159-L207 PolarHBondContact O-N 3.03Å; Y159-L209 HydrophobicContact CD2-CB 4.24Å; Y159-L209 HydrophobicContact CD2-CD1 3.9Å; Y159-L209 HydrophobicContact CD2-CG 4.2Å; Y159-L209 HydrophobicContact CE2-CD1 4.5Å; Y159-L209 HydrophobicContact CG-CD1 4.2Å
160Y98.4Very high95.9Very high154 Ų15465.6 Ų65.660%0.60432%0.321SS*.EExtended strand (participates in β ladder)trans-103126.4170.4-176.3-106.4000109.5T162 V206Y160-T162 HydrophobicContact CD1-CG2 4.47Å; Y160-T162 HydrophobicContact CE1-CG2 3.86Å; Y160-V206 HydrophobicContact CD2-CG2 3.88Å
161F98.4Very high95.7Very high17 Ų1764.4 Ų64.48%0.07532%0.319CS..EExtended strand (participates in β ladder)trans-116.3139.4174.3-63.4-88.3000109.1F117 F151 Y159 I175 G204 M205 L207 L209 V215F117-F161 HydrophobicContact CE1-CD1 4.13Å; F117-F161 AromaticContact CE1-CE1 3.92Å; F117-F161 HydrophobicContact CE1-CE1 3.92Å; F117-F161 HydrophobicContact CZ-CD1 4.36Å; F117-F161 HydrophobicContact CZ-CE1 4.46Å; F151-F161 HydrophobicContact CB-CE1 4.04Å; F151-F161 AromaticContact CD1-CE1 3.82Å; F151-F161 HydrophobicContact CD1-CE1 3.82Å; F151-F161 AromaticContact CD1-CZ 3.64Å; F151-F161 HydrophobicContact CD1-CZ 3.64Å; F151-F161 HydrophobicContact CD2-CE1 4.04Å; F151-F161 HydrophobicContact CD2-CZ 4.48Å; F151-F161 HydrophobicContact CE1-CE1 4.25Å; F151-F161 AromaticContact CE1-CZ 3.76Å; F151-F161 HydrophobicContact CE1-CZ 3.76Å; F151-F161 HydrophobicContact CE2-CE1 4.41Å; F151-F161 AromaticContact CG-CE1 3.7Å; F151-F161 HydrophobicContact CG-CE1 3.7Å; F151-F161 HydrophobicContact CG-CZ 4.03Å; F151-F161 HydrophobicContact CZ-CZ 4.22Å; Y159-F161 VanDerWaalsContact CB-CE2 3.4Å; Y159-F161 HydrophobicContact CG-CE2 4.35Å; Y159-F161 HydrophobicContact CG-CZ 4.38Å; F161-I175 HydrophobicContact CB-CD1 4.15Å; F161-I175 HydrophobicContact CB-CG2 4.46Å; F161-G204 CarbonylContact O-C 3.38Å; F161-G204 WeakPolarHBondContact O-CA 3.04Å; F161-M205 PolarHBondContact N-O 2.61Å; F161-M205 PolarHBondContact O-N 3.2Å; F161-L207 HydrophobicContact CD2-CB 4.33Å; F161-L207 HydrophobicContact CD2-CD1 3.91Å; F161-L207 HydrophobicContact CD2-CG 4.32Å; F161-L207 HydrophobicContact CE2-CB 4.23Å; F161-L207 HydrophobicContact CE2-CD1 4.12Å; F161-L209 HydrophobicContact CE2-CD1 3.84Å; F161-L209 HydrophobicContact CZ-CD1 3.81Å; F161-V215 HydrophobicContact CD1-CB 4.46Å; F161-V215 HydrophobicContact CD1-CG1 3.98Å; F161-V215 HydrophobicContact CD2-CG1 4.1Å; F161-V215 HydrophobicContact CE1-CB 3.99Å; F161-V215 HydrophobicContact CE1-CG1 4.02Å; F161-V215 HydrophobicContact CE1-CG2 4.38Å; F161-V215 HydrophobicContact CE2-CB 4.27Å; F161-V215 HydrophobicContact CE2-CG1 4.13Å; F161-V215 HydrophobicContact CE2-CG2 3.89Å; F161-V215 HydrophobicContact CG-CG1 4.02Å; F161-V215 HydrophobicContact CZ-CB 3.9Å; F161-V215 HydrophobicContact CZ-CG1 4.11Å; F161-V215 HydrophobicContact CZ-CG2 3.78Å
162T98.4Very high95.5Very high70 Ų7065.9 Ų65.943%0.42933%0.329SS..EExtended strand (participates in β ladder)trans-147.6154174.4-175.40000110.3Y160 Q164 G203Y160-T162 HydrophobicContact CD1-CG2 4.47Å; Y160-T162 HydrophobicContact CE1-CG2 3.86Å; T162-Q164 PolarHBondContact OG1-NE2 2.87Å; T162-G203 CarbonylContact C-O 3.53Å; T162-G203 WeakPolarHBondContact CA-O 3.4Å; T162-G203 WeakPolarHBondContact CB-O 3.21Å; T162-G203 PolarHBondContact OG1-O 3.03Å
163F97.8Very high95.4Very high6 Ų664.4 Ų64.43%0.02632%0.32CS..EExtended strand (participates in β ladder)trans-135.515317263.8-101.5000110.4V165 L173 I175 F189 V201 S202 G203 V217F163-V165 HydrophobicContact CB-CG2 4.34Å; F163-V165 HydrophobicContact CD2-CG2 3.95Å; F163-V165 HydrophobicContact CG-CG2 4.47Å; F163-L173 HydrophobicContact CD2-CD1 3.99Å; F163-L173 HydrophobicContact CE1-CB 4.27Å; F163-L173 HydrophobicContact CE2-CB 3.9Å; F163-L173 HydrophobicContact CE2-CD1 3.7Å; F163-L173 HydrophobicContact CE2-CG 4.41Å; F163-L173 HydrophobicContact CZ-CB 3.6Å; F163-L173 HydrophobicContact CZ-CD1 4.24Å; F163-I175 HydrophobicContact CD1-CD1 4.05Å; F163-I175 HydrophobicContact CD1-CG1 3.87Å; F163-I175 HydrophobicContact CE1-CD1 4.15Å; F163-I175 HydrophobicContact CE1-CG1 3.8Å; F163-F189 HydrophobicContact CE1-CD2 4.11Å; F163-F189 HydrophobicContact CZ-CB 4.05Å; F163-F189 AromaticContact CZ-CD2 3.83Å; F163-F189 HydrophobicContact CZ-CD2 3.83Å; F163-F189 HydrophobicContact CZ-CG 4.2Å; F163-V201 HydrophobicContact CE2-CG1 4.31Å; F163-V201 HydrophobicContact CE2-CG2 4.37Å; F163-S202 VanDerWaalsContact O-CA 3.29Å; F163-S202 WeakPolarHBondContact O-CA 3.28Å; F163-G203 PolarHBondContact N-O 2.88Å; F163-G203 PolarHBondContact O-N 2.9Å; F163-V217 HydrophobicContact CB-CG2 4.4Å; F163-V217 HydrophobicContact CD1-CG1 4.45Å; F163-V217 HydrophobicContact CD1-CG2 3.93Å; F163-V217 HydrophobicContact CG-CG2 4.41Å
164Q97.8Very high95.4Very high124 Ų12464.8 Ų64.858%0.57932%0.323SS*.EExtended strand (participates in β ladder)trans-131.2110.6164.5-59.780.530.900106.6T162 V200 V201T162-Q164 PolarHBondContact OG1-NE2 2.87Å; Q164-V200 HydrophobicContact CB-CG1 3.92Å; Q164-V201 WeakPolarHBondContact CA-O 3.33Å
165V95.8Very high95.4Very high14 Ų1460.8 Ų60.89%0.08530%0.298CS..EExtended strand (participates in β ladder)trans-118.9131-174.9177.90000109.5F133 F163 I171 L173 V200 V201F133-V165 HydrophobicContact CE1-CG2 4.13Å; F133-V165 HydrophobicContact CZ-CG2 3.95Å; F163-V165 HydrophobicContact CB-CG2 4.34Å; F163-V165 HydrophobicContact CD2-CG2 3.95Å; F163-V165 HydrophobicContact CG-CG2 4.47Å; V165-I171 HydrophobicContact CG1-CD1 3.93Å; V165-L173 HydrophobicContact CB-CD1 3.58Å; V165-L173 HydrophobicContact CG1-CD1 3.93Å; V165-L173 HydrophobicContact CG2-CD1 3.55Å; V165-V200 WeakPolarHBondContact O-CA 3.29Å; V165-V201 HydrophobicContact CB-CG1 3.92Å; V165-V201 PolarHBondContact N-O 2.98Å; V165-V201 WeakPolarHBondContact O-CG1 3.48Å; V165-V201 PolarHBondContact O-N 2.83Å
166L94.5Very high95.5Very high101 Ų10158.6 Ų58.653%0.52929%0.285SS..EExtended strand (participates in β ladder)trans-85.4132.3178.6-164.773.9000110.2F198 Q199 V200L166-F198 HydrophobicContact CD1-CB 4.06Å; L166-F198 HydrophobicContact CD1-CD1 4.31Å; L166-F198 HydrophobicContact CD2-CD1 3.58Å; L166-F198 HydrophobicContact CD2-CE1 3.93Å; L166-F198 HydrophobicContact CD2-CG 4.31Å; L166-F198 HydrophobicContact CG-CB 4.48Å; L166-F198 HydrophobicContact CG-CD1 3.83Å; L166-Q199 CarbonylContact C-O 3.56Å; L166-Q199 WeakPolarHBondContact CA-O 3.27Å; L166-V200 HydrophobicContact CD1-CG2 3.7Å
167S89.5Confident95.5Very high20 Ų2055.3 Ų55.314%0.1426%0.264CS..EExtended strand (participates in β ladder)trans-140150.1172.1-174.40000111.1W169 I171 Q199S167-W169 PolarHBondContact OG-N 3.24Å; S167-W169 VanDerWaalsContact OG-N 3.12Å; S167-W169 PolarHBondContact OG-O 2.76Å; S167-I171 VanDerWaalsContact CB-CG2 3.45Å; S167-Q199 PolarHBondContact N-O 3.21Å; S167-Q199 PolarHBondContact O-N 3.18Å
168Q90.3Very high95.5Very high75 Ų7554.7 Ų54.735%0.3526%0.255SS..SBendtrans-99.5-11169.3-68.2178-35.700112.5G196 F198Q168-G196 VanDerWaalsContact O-CA 3.27Å; Q168-G196 WeakPolarHBondContact O-CA 3.21Å; Q168-G196 PolarHBondContact O-N 3.43Å; Q168-G196 VanDerWaalsContact O-N 3.15Å; Q168-F198 HydrophobicContact CG-CD1 3.41Å; Q168-F198 VanDerWaalsContact CG-CD1 3.41Å; Q168-F198 HydrophobicContact CG-CE1 3.5Å; Q168-F198 HydrophobicContact CG-CG 4.09Å; Q168-F198 HydrophobicContact CG-CZ 4.23Å
169W87.3Confident95.4Very high154 Ų15447.3 Ų47.358%0.58323%0.227SC*.SBendtrans-127.5179.8-173.3-54.7112000110.2S167 I171S167-W169 PolarHBondContact OG-N 3.24Å; S167-W169 VanDerWaalsContact OG-N 3.12Å; S167-W169 PolarHBondContact OG-O 2.76Å; W169-I171 PolarHBondContact O-N 3.05Å
170E90.6Very high95.1Very high115 Ų11556.5 Ų56.554%0.53726%0.262SS..  trans-58.3129.1173.6-57.5-173.3171.900110.6D191 N194E170-D191 WeakPolarHBondContact CA-O 3.21Å; E170-N194 HydrophobicContact CG-CB 3.61Å; E170-N194 PolarHBondContact OE1-ND2 3.29Å
171I93.4Very high94.5Very high32 Ų3252.4 Ų52.416%0.16427%0.267CS..EExtended strand (participates in β ladder)trans-141.7130.3178-168.4168.8000109.2V165 S167 W169 L173 C190 D191 V201V165-I171 HydrophobicContact CG1-CD1 3.93Å; S167-I171 VanDerWaalsContact CB-CG2 3.45Å; W169-I171 PolarHBondContact O-N 3.05Å; I171-L173 HydrophobicContact CD1-CD1 4.13Å; I171-L173 HydrophobicContact CD1-CD2 4.05Å; I171-L173 HydrophobicContact CD1-CG 4.13Å; I171-L173 HydrophobicContact CG1-CD1 4.46Å; I171-L173 HydrophobicContact CG1-CD2 3.97Å; I171-L173 HydrophobicContact CG1-CG 3.97Å; I171-C190 CarbonylContact O-C 3.58Å; I171-C190 WeakPolarHBondContact O-CA 2.98Å; I171-D191 HydrophobicContact CG2-CB 4.23Å; I171-D191 PolarHBondContact N-O 2.86Å; I171-D191 PolarHBondContact O-N 3.17Å; I171-V201 HydrophobicContact CD1-CG1 4.47Å; I171-V201 HydrophobicContact CG2-CB 4.07Å; I171-V201 HydrophobicContact CG2-CG1 3.67Å
172C95.1Very high94.3Very high34 Ų3458.7 Ų58.723%0.2330%0.296CS..EExtended strand (participates in β ladder)trans-122.9125.6171.8-77.40000108.4F189 C190 K219 D220C172-F189 WeakPolarHBondContact CA-O 3.48Å; C172-C190 HydrophobicContact CB-CB 4.15Å; C172-C190 WeakPolarHBondContact CB-SG 3.47Å; C172-C190 WeakPolarHBondContact SG-CB 3.42Å; C172-C190 CovalentContact SG-SG 2.04Å; C172-C190 PolarHBondContact SG-SG 2.98Å; C172-K219 WeakPolarHBondContact O-CA 3.37Å; C172-D220 HydrophobicContact CB-CB 3.98Å; C172-D220 PolarHBondContact O-N 2.82Å
173L96.6Very high94.1Very high1 Ų159.1 Ų59.11%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-126.7139.6-177.1-61.6-178.2000110.9V131 F163 V165 I171 G188 F189 V201 V217 E218 K219V131-L173 HydrophobicContact CG2-CD2 3.87Å; F163-L173 HydrophobicContact CD2-CD1 3.99Å; F163-L173 HydrophobicContact CE1-CB 4.27Å; F163-L173 HydrophobicContact CE2-CB 3.9Å; F163-L173 HydrophobicContact CE2-CD1 3.7Å; F163-L173 HydrophobicContact CE2-CG 4.41Å; F163-L173 HydrophobicContact CZ-CB 3.6Å; F163-L173 HydrophobicContact CZ-CD1 4.24Å; V165-L173 HydrophobicContact CB-CD1 3.58Å; V165-L173 HydrophobicContact CG1-CD1 3.93Å; V165-L173 HydrophobicContact CG2-CD1 3.55Å; I171-L173 HydrophobicContact CD1-CD1 4.13Å; I171-L173 HydrophobicContact CD1-CD2 4.05Å; I171-L173 HydrophobicContact CD1-CG 4.13Å; I171-L173 HydrophobicContact CG1-CD1 4.46Å; I171-L173 HydrophobicContact CG1-CD2 3.97Å; I171-L173 HydrophobicContact CG1-CG 3.97Å; L173-G188 CarbonylContact O-C 3.4Å; L173-G188 VanDerWaalsContact O-CA 3.31Å; L173-G188 WeakPolarHBondContact O-CA 3.31Å; L173-F189 PolarHBondContact N-O 3.15Å; L173-F189 PolarHBondContact O-N 3.49Å; L173-V201 HydrophobicContact CD1-CG1 3.7Å; L173-V201 HydrophobicContact CG-CG1 4.29Å; L173-V217 HydrophobicContact CB-CG1 4.06Å; L173-V217 HydrophobicContact CD1-CG1 4.27Å; L173-V217 HydrophobicContact CD2-CG1 4.19Å; L173-V217 HydrophobicContact CG-CG1 4.41Å; L173-E218 CarbonylContact C-O 3.54Å; L173-E218 VanDerWaalsContact CA-O 3.27Å; L173-E218 WeakPolarHBondContact CA-O 3.29Å; L173-K219 HydrophobicContact CD2-CB 3.7Å
174S96.9Very high93.9Very high9 Ų965.2 Ų65.26%0.06332%0.321CS..EExtended strand (participates in β ladder)trans-127.3141.2175.3-178.60000110.9V176 S186 L187 V217 E218S174-V176 PolarHBondContact O-N 3.07Å; S174-S186 PolarHBondContact OG-O 3.21Å; S174-L187 PolarHBondContact OG-O 2.81Å; S174-V217 WeakPolarHBondContact O-CA 3.49Å; S174-E218 PolarHBondContact N-O 3.48Å; S174-E218 PolarHBondContact O-N 3.3Å
175I97.5Very high93.4Very high4 Ų466.2 Ų66.22%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-82.3112.5168.3-62.6172.2000107.4F161 F163 S186 M205 L207 V215F161-I175 HydrophobicContact CB-CD1 4.15Å; F161-I175 HydrophobicContact CB-CG2 4.46Å; F163-I175 HydrophobicContact CD1-CD1 4.05Å; F163-I175 HydrophobicContact CD1-CG1 3.87Å; F163-I175 HydrophobicContact CE1-CD1 4.15Å; F163-I175 HydrophobicContact CE1-CG1 3.8Å; I175-S186 WeakPolarHBondContact O-CB 3.27Å; I175-M205 HydrophobicContact CB-CG 4.46Å; I175-M205 HydrophobicContact CB-SD 4.46Å; I175-M205 HydrophobicContact CD1-CG 4.05Å; I175-M205 HydrophobicContact CG2-CG 4.44Å; I175-L207 HydrophobicContact CG2-CD1 4.14Å; I175-V215 HydrophobicContact CG2-CG1 3.65Å
176V97.3Very high93Very high0 Ų067.4 Ų67.40%033%0.329CS..EExtended strand (participates in β ladder)trans-105.7141.8-178.7-175.60000108.9S174 V183 V215 W216 E218S174-V176 PolarHBondContact O-N 3.07Å; V176-V183 HydrophobicContact CG1-CG1 3.46Å; V176-V183 VanDerWaalsContact CG1-CG1 3.46Å; V176-V215 CarbonylContact O-C 3.49Å; V176-V215 WeakPolarHBondContact O-CA 3.47Å; V176-W216 HydrophobicContact CB-CD2 4.32Å; V176-W216 HydrophobicContact CB-CZ2 4.05Å; V176-W216 HydrophobicContact CG1-CH2 3.91Å; V176-W216 HydrophobicContact CG1-CZ2 3.45Å; V176-W216 VanDerWaalsContact CG1-CZ2 3.45Å; V176-W216 PolarHBondContact N-O 2.9Å; V176-W216 PolarHBondContact O-N 3.34Å; V176-E218 HydrophobicContact CG2-CB 3.98Å; V176-E218 HydrophobicContact CG2-CG 4.15Å
177S97.5Very high92.7Very high14 Ų1468.3 Ų68.310%0.09833%0.334CS..EExtended strand (participates in β ladder)trans-121.9161.5171.8620000111.7R184 Q214S177-R184 PolarHBondContact N-O 2.87Å; S177-R184 PolarHBondContact O-N 2.73Å; S177-Q214 CarbonylContact C-O 3.57Å; S177-Q214 WeakPolarHBondContact CA-O 3.41Å; S177-Q214 WeakPolarHBondContact CB-O 3.23Å
178S97.4Very high92.9Very high13 Ų1369.4 Ų69.49%0.09135%0.349CS..EExtended strand (participates in β ladder)trans-131.3138.6167.6-178.50000110.5G181 Q182 D213 Q214S178-G181 WeakPolarHBondContact OG-CA 3.34Å; S178-Q182 CarbonylContact C-O 3.56Å; S178-Q182 WeakPolarHBondContact CA-O 2.95Å; S178-Q182 WeakPolarHBondContact CB-O 3.37Å; S178-Q182 PolarHBondContact OG-N 3.12Å; S178-Q182 PolarHBondContact OG-O 2.85Å; S178-D213 CarbonylContact O-C 3.54Å; S178-D213 VanDerWaalsContact O-CA 3.23Å; S178-D213 WeakPolarHBondContact O-CA 3.48Å; S178-D213 WeakPolarHBondContact O-CB 3.37Å; S178-Q214 PolarHBondContact N-O 3.43Å; S178-Q214 PolarHBondContact O-N 2.93Å
179S95.4Very high93.2Very high7 Ų768.5 Ų68.55%0.04934%0.344CS..EExtended strand (participates in β ladder)trans-127.4127.9170-170.70000109.6G181 Q182 D213S179-G181 PolarHBondContact O-N 2.94Å; S179-Q182 PolarHBondContact N-O 2.04Å; S179-Q182 PolarHBondContact O-N 2.88Å; S179-D213 WeakPolarHBondContact CA-OD1 3.47Å; S179-D213 WeakPolarHBondContact CB-OD1 3.38Å; S179-D213 PolarHBondContact OG-OD1 3.46Å
180R91.9Very high93.5Very high222 Ų22264.6 Ų64.684%0.83834%0.339SS*.THydrogen-bonded Turntrans51.136.9-175.9-53.4-177.5-177.4-148.1-1.3113.4Q182R180-Q182 PolarHBondContact O-N 2.89Å
181G85.5Confident93.7Very high69 Ų6960.5 Ų60.571%0.71132%0.321SS*.THydrogen-bonded Turntrans77.6-4.7-17900000115.3S178 S179S178-G181 WeakPolarHBondContact OG-CA 3.34Å; S179-G181 PolarHBondContact O-N 2.94Å
182Q93.6Very high93.6Very high148 Ų14863.3 Ų63.369%0.69234%0.34SS*.EExtended strand (participates in β ladder)trans-87.1131.5172.1-68.3-160.3-21.500110.6S178 S179 R180S178-Q182 CarbonylContact C-O 3.56Å; S178-Q182 WeakPolarHBondContact CA-O 2.95Å; S178-Q182 WeakPolarHBondContact CB-O 3.37Å; S178-Q182 PolarHBondContact OG-N 3.12Å; S178-Q182 PolarHBondContact OG-O 2.85Å; S179-Q182 PolarHBondContact N-O 2.04Å; S179-Q182 PolarHBondContact O-N 2.88Å; R180-Q182 PolarHBondContact O-N 2.89Å
183V93.6Very high93.2Very high79 Ų7964.5 Ų64.548%0.47935%0.346SS..EExtended strand (participates in β ladder)trans-81.9132.4180-179.80000110V176 R185 W216V176-V183 HydrophobicContact CG1-CG1 3.46Å; V176-V183 VanDerWaalsContact CG1-CG1 3.46Å; V183-R185 HydrophobicContact CG1-CG 4.49Å; V183-W216 HydrophobicContact CG1-CZ2 4.45Å; V183-W216 HydrophobicContact CG2-CH2 4.39Å
184R93.4Very high92.6Very high134 Ų13468.1 Ų68.151%0.50637%0.365SS..EExtended strand (participates in β ladder)trans-115.7106.7174.1-64.3-178.1-179.5175.61.6108.5S177S177-R184 PolarHBondContact N-O 2.87Å; S177-R184 PolarHBondContact O-N 2.73Å
185R88.1Confident92.2Very high145 Ų14575.3 Ų75.355%0.54740%0.395SS..  trans-75.8145.6175.7-62.9-67.3179.7169-10.7109.9V183 E218V183-R185 HydrophobicContact CG1-CG 4.49Å; R185-E218 IonicContact CZ-OE2 3.1Å; R185-E218 VanDerWaalsContact NH1-CD 3.31Å; R185-E218 IonicContact NH1-OE1 3.88Å; R185-E218 IonicContact NH1-OE2 2.61Å; R185-E218 PolarHBondContact NH1-OE2 3.23Å; R185-E218 IonicContact NH2-OE1 3.47Å; R185-E218 PolarHBondContact NH2-OE1 3.09Å; R185-E218 IonicContact NH2-OE2 2.73Å; R185-E218 PolarHBondContact NH2-OE2 3.43Å
186S87.6Confident91.7Very high40 Ų4076.5 Ų76.528%0.2841%0.409SS..  trans-129.7-174.6-179-153.30000111.2S174 I175 G188 M205S174-S186 PolarHBondContact OG-O 3.21Å; I175-S186 WeakPolarHBondContact O-CB 3.27Å; S186-G188 PolarHBondContact O-N 3.16Å; S186-M205 WeakPolarHBondContact OG-CE 3.36Å; S186-M205 PolarHBondContact OG-SD 3Å
187L88.4Confident91.5Very high119 Ų11981.5 Ų81.562%0.62344%0.435SS*.  trans-56.6138.4178.9-7184.8000111.2S174 M205S174-L187 PolarHBondContact OG-O 2.81Å; L187-M205 HydrophobicContact CD1-CE 3.93Å
188G92.8Very high91.2Very high44 Ų4487.2 Ų87.245%0.45446%0.458SS..EExtended strand (participates in β ladder)trans-93.9151.717000000111.4L173 S186L173-G188 CarbonylContact O-C 3.4Å; L173-G188 VanDerWaalsContact O-CA 3.31Å; L173-G188 WeakPolarHBondContact O-CA 3.31Å; S186-G188 PolarHBondContact O-N 3.16Å
189F96.2Very high91Very high56 Ų5689.6 Ų89.625%0.24647%0.468CS..EExtended strand (participates in β ladder)trans-127.3126.9175.6-56.1-95.7000107.5F163 C172 L173 V201F163-F189 HydrophobicContact CE1-CD2 4.11Å; F163-F189 HydrophobicContact CZ-CB 4.05Å; F163-F189 AromaticContact CZ-CD2 3.83Å; F163-F189 HydrophobicContact CZ-CD2 3.83Å; F163-F189 HydrophobicContact CZ-CG 4.2Å; C172-F189 WeakPolarHBondContact CA-O 3.48Å; L173-F189 PolarHBondContact N-O 3.15Å; L173-F189 PolarHBondContact O-N 3.49Å; F189-V201 HydrophobicContact CB-CG2 4.09Å
190C95.1Very high91.1Very high72 Ų7293.3 Ų93.349%0.48649%0.49SS..EExtended strand (participates in β ladder)trans-125143.7-173.6-600000111.4I171 C172 T192I171-C190 CarbonylContact O-C 3.58Å; I171-C190 WeakPolarHBondContact O-CA 2.98Å; C172-C190 HydrophobicContact CB-CB 4.15Å; C172-C190 WeakPolarHBondContact CB-SG 3.47Å; C172-C190 WeakPolarHBondContact SG-CB 3.42Å; C172-C190 CovalentContact SG-SG 2.04Å; C172-C190 PolarHBondContact SG-SG 2.98Å; C190-T192 HydrophobicContact CB-CG2 4.45Å
191D93.5Very high91.3Very high29 Ų2983.1 Ų83.116%0.15545%0.452CS..EExtended strand (participates in β ladder)trans-118.4121.2159.3-169-51.4000107.9E170 I171 T193 Q199 V201E170-D191 WeakPolarHBondContact CA-O 3.21Å; I171-D191 HydrophobicContact CG2-CB 4.23Å; I171-D191 PolarHBondContact N-O 2.86Å; I171-D191 PolarHBondContact O-N 3.17Å; D191-T193 WeakPolarHBondContact OD1-CB 3.45Å; D191-T193 PolarHBondContact OD1-N 3.32Å; D191-T193 PolarHBondContact OD1-OG1 2.68Å; D191-Q199 VanDerWaalsContact OD2-CB 3.29Å; D191-Q199 WeakPolarHBondContact OD2-CB 3.04Å; D191-V201 HydrophobicContact CB-CB 4.15Å
192T91.8Very high91.8Very high91 Ų9183.2 Ų83.256%0.55844%0.442SS*.  trans-117.123-177.756.60000112.2C190 N194C190-T192 HydrophobicContact CB-CG2 4.45Å; T192-N194 PolarHBondContact O-N 2.89Å
193T87.5Confident91.9Very high58 Ų5876.5 Ų76.536%0.35641%0.412SS..  trans-56.4-38.9-177.6-57.80000111.8D191 K195 Q199D191-T193 WeakPolarHBondContact OD1-CB 3.45Å; D191-T193 PolarHBondContact OD1-N 3.32Å; D191-T193 PolarHBondContact OD1-OG1 2.68Å; T193-K195 VanDerWaalsContact C-N 3.3Å; T193-K195 HydrophobicContact CG2-CB 4.25Å; T193-K195 HydrophobicContact CG2-CD 4.07Å; T193-K195 HydrophobicContact CG2-CG 4.3Å; T193-K195 WeakPolarHBondContact O-CG 3.47Å; T193-K195 PolarHBondContact O-N 3.35Å; T193-Q199 HydrophobicContact CG2-CG 4.27Å
194N83.3Confident92.1Very high78 Ų7873.9 Ų73.942%0.41740%0.402SS..  trans51.639.9169.5-155.38.5000115.4E170 T192E170-N194 HydrophobicContact CG-CB 3.61Å; E170-N194 PolarHBondContact OE1-ND2 3.29Å; T192-N194 PolarHBondContact O-N 2.89Å
195K89Confident92.2Very high160 Ų16069.1 Ų69.170%0.69639%0.386SS*.SBendtrans-113.48.6-176.8-76.8174-172.9-175.50114.2T193 L197T193-K195 VanDerWaalsContact C-N 3.3Å; T193-K195 HydrophobicContact CG2-CB 4.25Å; T193-K195 HydrophobicContact CG2-CD 4.07Å; T193-K195 HydrophobicContact CG2-CG 4.3Å; T193-K195 WeakPolarHBondContact O-CG 3.47Å; T193-K195 PolarHBondContact O-N 3.35Å; K195-L197 HydrophobicContact CB-CD1 4.49Å; K195-L197 HydrophobicContact CB-CG 4.4Å; K195-L197 PolarHBondContact O-N 3.45Å; K195-L197 VanDerWaalsContact O-N 3.16Å
196G87.7Confident92.7Very high29 Ų2966.6 Ų66.630%0.29939%0.386SS..SBendtrans69.14.9-174.100000114.2Q168Q168-G196 VanDerWaalsContact O-CA 3.27Å; Q168-G196 WeakPolarHBondContact O-CA 3.21Å; Q168-G196 PolarHBondContact O-N 3.43Å; Q168-G196 VanDerWaalsContact O-N 3.15Å
197L91.1Very high93.1Very high105 Ų10565.9 Ų65.955%0.5538%0.379SS..SBendtrans-89.2141.4174.8-63.7176.7000109.4K195 Q199K195-L197 HydrophobicContact CB-CD1 4.49Å; K195-L197 HydrophobicContact CB-CG 4.4Å; K195-L197 PolarHBondContact O-N 3.45Å; K195-L197 VanDerWaalsContact O-N 3.16Å; L197-Q199 PolarHBondContact O-N 3.48Å
198F92.4Very high93.5Very high133 Ų13366.2 Ų66.258%0.58338%0.377SS*.  trans-62.1119.6174-71.1-65.8000111.2L166 Q168L166-F198 HydrophobicContact CD1-CB 4.06Å; L166-F198 HydrophobicContact CD1-CD1 4.31Å; L166-F198 HydrophobicContact CD2-CD1 3.58Å; L166-F198 HydrophobicContact CD2-CE1 3.93Å; L166-F198 HydrophobicContact CD2-CG 4.31Å; L166-F198 HydrophobicContact CG-CB 4.48Å; L166-F198 HydrophobicContact CG-CD1 3.83Å; Q168-F198 HydrophobicContact CG-CD1 3.41Å; Q168-F198 VanDerWaalsContact CG-CD1 3.41Å; Q168-F198 HydrophobicContact CG-CE1 3.5Å; Q168-F198 HydrophobicContact CG-CG 4.09Å; Q168-F198 HydrophobicContact CG-CZ 4.23Å
199Q93.8Very high93.7Very high63 Ų6364.4 Ų64.429%0.29436%0.357SS..EExtended strand (participates in β ladder)trans-122.2153.3172.7-57.2-54.3-44.500110L166 S167 D191 T193 L197L166-Q199 CarbonylContact C-O 3.56Å; L166-Q199 WeakPolarHBondContact CA-O 3.27Å; S167-Q199 PolarHBondContact N-O 3.21Å; S167-Q199 PolarHBondContact O-N 3.18Å; D191-Q199 VanDerWaalsContact OD2-CB 3.29Å; D191-Q199 WeakPolarHBondContact OD2-CB 3.04Å; T193-Q199 HydrophobicContact CG2-CG 4.27Å; L197-Q199 PolarHBondContact O-N 3.48Å
200V95.8Very high93.8Very high86 Ų8666.5 Ų66.552%0.52137%0.368SS..EExtended strand (participates in β ladder)trans-110.9113.8177.2179.50000108.7Q164 V165 L166Q164-V200 HydrophobicContact CB-CG1 3.92Å; V165-V200 WeakPolarHBondContact O-CA 3.29Å; L166-V200 HydrophobicContact CD1-CG2 3.7Å
201V96.3Very high93.9Very high7 Ų769.8 Ų69.84%0.04238%0.376CS..EExtended strand (participates in β ladder)trans-85.3130.616765.30000108.8F163 Q164 V165 I171 L173 F189 D191F163-V201 HydrophobicContact CE2-CG1 4.31Å; F163-V201 HydrophobicContact CE2-CG2 4.37Å; Q164-V201 WeakPolarHBondContact CA-O 3.33Å; V165-V201 HydrophobicContact CB-CG1 3.92Å; V165-V201 PolarHBondContact N-O 2.98Å; V165-V201 WeakPolarHBondContact O-CG1 3.48Å; V165-V201 PolarHBondContact O-N 2.83Å; I171-V201 HydrophobicContact CD1-CG1 4.47Å; I171-V201 HydrophobicContact CG2-CB 4.07Å; I171-V201 HydrophobicContact CG2-CG1 3.67Å; L173-V201 HydrophobicContact CD1-CG1 3.7Å; L173-V201 HydrophobicContact CG-CG1 4.29Å; F189-V201 HydrophobicContact CB-CG2 4.09Å; D191-V201 HydrophobicContact CB-CB 4.15Å
202S96.9Very high94Very high72 Ų7270.7 Ų70.750%0.50339%0.392SS..EExtended strand (participates in β ladder)trans-128.4142.4178.564.40000111.5F163F163-S202 VanDerWaalsContact O-CA 3.29Å; F163-S202 WeakPolarHBondContact O-CA 3.28Å
203G96.2Very high94.3Very high6 Ų666.7 Ų66.76%0.06237%0.367CS..EExtended strand (participates in β ladder)trans-148.7161.4175.200000110.6T162 F163T162-G203 CarbonylContact C-O 3.53Å; T162-G203 WeakPolarHBondContact CA-O 3.4Å; T162-G203 WeakPolarHBondContact CB-O 3.21Å; T162-G203 PolarHBondContact OG1-O 3.03Å; F163-G203 PolarHBondContact N-O 2.88Å; F163-G203 PolarHBondContact O-N 2.9Å
204G96.3Very high94.9Very high25 Ų2566.7 Ų66.726%0.25836%0.363SS..EExtended strand (participates in β ladder)trans-170.5154.5174.800000113F161F161-G204 CarbonylContact O-C 3.38Å; F161-G204 WeakPolarHBondContact O-CA 3.04Å
205M96.4Very high95.6Very high34 Ų3463.2 Ų63.217%0.16734%0.344CS..EExtended strand (participates in β ladder)trans-160.5159.6175.455.8171.625.800113.3F161 I175 S186 L187 L207F161-M205 PolarHBondContact N-O 2.61Å; F161-M205 PolarHBondContact O-N 3.2Å; I175-M205 HydrophobicContact CB-CG 4.46Å; I175-M205 HydrophobicContact CB-SD 4.46Å; I175-M205 HydrophobicContact CD1-CG 4.05Å; I175-M205 HydrophobicContact CG2-CG 4.44Å; S186-M205 WeakPolarHBondContact OG-CE 3.36Å; S186-M205 PolarHBondContact OG-SD 3Å; L187-M205 HydrophobicContact CD1-CE 3.93Å; M205-L207 HydrophobicContact CG-CD2 4.4Å; M205-L207 HydrophobicContact CG-CG 4.25Å; M205-L207 HydrophobicContact SD-CD2 3.71Å; M205-L207 HydrophobicContact SD-CG 4.16Å
206V97.7Very high96Very high91 Ų9156.1 Ų56.155%0.55231%0.313SS*.EExtended strand (participates in β ladder)trans-87.3131.9168.1-179.60000109.1Y158 Y159 Y160Y158-V206 HydrophobicContact CD1-CG1 4.11Å; Y159-V206 CarbonylContact O-C 3.58Å; Y159-V206 VanDerWaalsContact O-CA 3.28Å; Y159-V206 WeakPolarHBondContact O-CA 3.02Å; Y160-V206 HydrophobicContact CD2-CG2 3.88Å
207L96.8Very high96.5Very high26 Ų2655.5 Ų55.514%0.13630%0.304CS..EExtended strand (participates in β ladder)trans-123.9135.9174.2-67.8176.7000110Y158 Y159 F161 I175 M205 L209 V215Y158-L207 WeakPolarHBondContact CA-O 3.38Å; Y159-L207 PolarHBondContact N-O 3.11Å; Y159-L207 PolarHBondContact O-N 3.03Å; F161-L207 HydrophobicContact CD2-CB 4.33Å; F161-L207 HydrophobicContact CD2-CD1 3.91Å; F161-L207 HydrophobicContact CD2-CG 4.32Å; F161-L207 HydrophobicContact CE2-CB 4.23Å; F161-L207 HydrophobicContact CE2-CD1 4.12Å; I175-L207 HydrophobicContact CG2-CD1 4.14Å; M205-L207 HydrophobicContact CG-CD2 4.4Å; M205-L207 HydrophobicContact CG-CG 4.25Å; M205-L207 HydrophobicContact SD-CD2 3.71Å; M205-L207 HydrophobicContact SD-CG 4.16Å; L207-L209 HydrophobicContact CB-CD2 4.04Å; L207-L209 HydrophobicContact CB-CG 4.3Å; L207-V215 HydrophobicContact CD1-CG1 3.9Å; L207-V215 HydrophobicContact CD1-CG2 3.93Å
208Q97.3Very high96.7Very high126 Ų12651.3 Ų51.359%0.58928%0.281SS*.EExtended strand (participates in β ladder)trans-89.6120.2167.2-168.9178.17.400108.9G157 Y158G157-Q208 WeakPolarHBondContact O-CA 3.38Å; Y158-Q208 HydrophobicContact CD1-CB 3.83Å; Y158-Q208 HydrophobicContact CD1-CG 4.12Å; Y158-Q208 HydrophobicContact CE1-CB 3.61Å; Y158-Q208 HydrophobicContact CE1-CG 3.74Å; Y158-Q208 HydrophobicContact CE2-CG 4.32Å; Y158-Q208 VanDerWaalsContact CZ-CD 3.48Å; Y158-Q208 VanDerWaalsContact OH-CD 3.29Å; Y158-Q208 PolarHBondContact OH-NE2 3.06Å; Y158-Q208 PolarHBondContact OH-OE1 3.43Å
209L97.4Very high96.8Very high6 Ų649.1 Ų49.13%0.03127%0.272CS..EExtended strand (participates in β ladder)trans-118.3143.6-173.8-59-178.5000111.8F151 C153 P156 G157 Y159 F161 L207 D213 V215F151-L209 HydrophobicContact CD1-CD1 4.27Å; F151-L209 HydrophobicContact CE1-CD1 3.78Å; C153-L209 HydrophobicContact CB-CB 4.02Å; C153-L209 HydrophobicContact CB-CD1 4.08Å; P156-L209 VanDerWaalsContact CA-O 3.32Å; P156-L209 WeakPolarHBondContact CA-O 3.36Å; G157-L209 PolarHBondContact N-O 3.06Å; G157-L209 PolarHBondContact O-N 3.47Å; Y159-L209 HydrophobicContact CD2-CB 4.24Å; Y159-L209 HydrophobicContact CD2-CD1 3.9Å; Y159-L209 HydrophobicContact CD2-CG 4.2Å; Y159-L209 HydrophobicContact CE2-CD1 4.5Å; Y159-L209 HydrophobicContact CG-CD1 4.2Å; F161-L209 HydrophobicContact CE2-CD1 3.84Å; F161-L209 HydrophobicContact CZ-CD1 3.81Å; L207-L209 HydrophobicContact CB-CD2 4.04Å; L207-L209 HydrophobicContact CB-CG 4.3Å; L209-D213 HydrophobicContact CB-CB 4.3Å; L209-D213 HydrophobicContact CD2-CB 4.14Å; L209-V215 HydrophobicContact CD1-CG2 3.74Å; L209-V215 HydrophobicContact CD2-CG2 3.8Å; L209-V215 HydrophobicContact CG-CG2 4.43Å
210Q97.6Very high96.4Very high99 Ų9953.8 Ų53.846%0.46330%0.299SS..  trans-96164.1166.5-63178.638.900110.3C153 G212 D213C153-Q210 VanDerWaalsContact CB-O 3.3Å; C153-Q210 WeakPolarHBondContact CB-O 3.45Å; C153-Q210 PolarHBondContact SG-O 2.89Å; Q210-G212 PolarHBondContact O-N 3.34Å; Q210-D213 PolarHBondContact N-OD2 3.02Å; Q210-D213 VanDerWaalsContact O-CB 3.28Å; Q210-D213 WeakPolarHBondContact O-CB 3.36Å; Q210-D213 PolarHBondContact O-N 2.94Å; Q210-D213 VanDerWaalsContact O-N 3.1Å
211Q97.2Very high96.5Very high142 Ų14252.2 Ų52.266%0.66429%0.288SS*.THydrogen-bonded Turntrans-60.5131.4176.2-17417731.600110.2P156 D213P156-Q211 HydrophobicContact CG-CB 4.09Å; Q211-D213 VanDerWaalsContact C-N 3.3Å
212G96.6Very high96.5Very high47 Ų4754.6 Ų54.649%0.48530%0.3SS..THydrogen-bonded Turntrans85.8-9.4-176.800000114.7C153 Q210C153-G212 PolarHBondContact O-N 3.4Å; Q210-G212 PolarHBondContact O-N 3.34Å
213D98.3Very high96.4Very high7 Ų753.6 Ų53.64%0.03729%0.289CS..  trans-62.2145172-71.1-6.4000110.1C153 S178 S179 L209 Q210 Q211C153-D213 HydrophobicContact CB-CB 4.39Å; C153-D213 WeakPolarHBondContact CB-O 3.19Å; C153-D213 PolarHBondContact N-O 2.74Å; S178-D213 CarbonylContact O-C 3.54Å; S178-D213 VanDerWaalsContact O-CA 3.23Å; S178-D213 WeakPolarHBondContact O-CA 3.48Å; S178-D213 WeakPolarHBondContact O-CB 3.37Å; S179-D213 WeakPolarHBondContact CA-OD1 3.47Å; S179-D213 WeakPolarHBondContact CB-OD1 3.38Å; S179-D213 PolarHBondContact OG-OD1 3.46Å; L209-D213 HydrophobicContact CB-CB 4.3Å; L209-D213 HydrophobicContact CD2-CB 4.14Å; Q210-D213 PolarHBondContact N-OD2 3.02Å; Q210-D213 VanDerWaalsContact O-CB 3.28Å; Q210-D213 WeakPolarHBondContact O-CB 3.36Å; Q210-D213 PolarHBondContact O-N 2.94Å; Q210-D213 VanDerWaalsContact O-N 3.1Å; Q211-D213 VanDerWaalsContact C-N 3.3Å
214Q98.3Very high96.5Very high59 Ų5956.4 Ų56.428%0.27630%0.303SS..EExtended strand (participates in β ladder)trans-115.2149.3-179.7-62.7-172.7-5.500111.5F151 V152 S177 S178 W216F151-Q214 CarbonylContact O-C 3.44Å; F151-Q214 WeakPolarHBondContact O-CA 3.46Å; V152-Q214 HydrophobicContact CG2-CG 4.26Å; S177-Q214 CarbonylContact C-O 3.57Å; S177-Q214 WeakPolarHBondContact CA-O 3.41Å; S177-Q214 WeakPolarHBondContact CB-O 3.23Å; S178-Q214 PolarHBondContact N-O 3.43Å; S178-Q214 PolarHBondContact O-N 2.93Å; Q214-W216 HydrophobicContact CB-CE3 4.09Å; Q214-W216 HydrophobicContact CB-CZ3 3.89Å
215V98.3Very high96.5Very high4 Ų458.4 Ų58.42%0.02431%0.305CS..EExtended strand (participates in β ladder)trans-136.4137.8174.9-175.20000110F151 F161 I175 V176 L207 L209F151-V215 HydrophobicContact CB-CB 4.34Å; F151-V215 HydrophobicContact CD1-CB 4.39Å; F151-V215 HydrophobicContact CD1-CG2 4.43Å; F151-V215 PolarHBondContact N-O 2.97Å; F151-V215 PolarHBondContact O-N 2.83Å; F161-V215 HydrophobicContact CD1-CB 4.46Å; F161-V215 HydrophobicContact CD1-CG1 3.98Å; F161-V215 HydrophobicContact CD2-CG1 4.1Å; F161-V215 HydrophobicContact CE1-CB 3.99Å; F161-V215 HydrophobicContact CE1-CG1 4.02Å; F161-V215 HydrophobicContact CE1-CG2 4.38Å; F161-V215 HydrophobicContact CE2-CB 4.27Å; F161-V215 HydrophobicContact CE2-CG1 4.13Å; F161-V215 HydrophobicContact CE2-CG2 3.89Å; F161-V215 HydrophobicContact CG-CG1 4.02Å; F161-V215 HydrophobicContact CZ-CB 3.9Å; F161-V215 HydrophobicContact CZ-CG1 4.11Å; F161-V215 HydrophobicContact CZ-CG2 3.78Å; I175-V215 HydrophobicContact CG2-CG1 3.65Å; V176-V215 CarbonylContact O-C 3.49Å; V176-V215 WeakPolarHBondContact O-CA 3.47Å; L207-V215 HydrophobicContact CD1-CG1 3.9Å; L207-V215 HydrophobicContact CD1-CG2 3.93Å; L209-V215 HydrophobicContact CD1-CG2 3.74Å; L209-V215 HydrophobicContact CD2-CG2 3.8Å; L209-V215 HydrophobicContact CG-CG2 4.43Å
216W98Very high96.5Very high11 Ų1160 Ų604%0.04232%0.315CS..EExtended strand (participates in β ladder)trans-154.3169.7177.763.397.6000111.3V130 G149 R150 V176 V183 Q214 E218V130-W216 HydrophobicContact CG1-CB 4.27Å; V130-W216 HydrophobicContact CG1-CG 4.27Å; G149-W216 WeakPolarHBondContact O-CB 3.15Å; R150-W216 HydrophobicContact CG-CB 4Å; R150-W216 HydrophobicContact CG-CD2 4.42Å; R150-W216 HydrophobicContact CG-CE3 4.4Å; R150-W216 HydrophobicContact CG-CG 4.28Å; R150-W216 VanDerWaalsContact NH1-CH2 3.31Å; V176-W216 HydrophobicContact CB-CD2 4.32Å; V176-W216 HydrophobicContact CB-CZ2 4.05Å; V176-W216 HydrophobicContact CG1-CH2 3.91Å; V176-W216 HydrophobicContact CG1-CZ2 3.45Å; V176-W216 VanDerWaalsContact CG1-CZ2 3.45Å; V176-W216 PolarHBondContact N-O 2.9Å; V176-W216 PolarHBondContact O-N 3.34Å; V183-W216 HydrophobicContact CG1-CZ2 4.45Å; V183-W216 HydrophobicContact CG2-CH2 4.39Å; Q214-W216 HydrophobicContact CB-CE3 4.09Å; Q214-W216 HydrophobicContact CB-CZ3 3.89Å; W216-E218 VanDerWaalsContact NE1-CG 3.28Å; W216-E218 PolarHBondContact NE1-OE1 3.46Å
217V97.6Very high96.4Very high16 Ų1657.8 Ų57.810%0.09730%0.298CS..EExtended strand (participates in β ladder)trans-98131.5172.6179.40000108.5V131 F133 F163 L173 S174V131-V217 HydrophobicContact CB-CB 4.14Å; V131-V217 HydrophobicContact CB-CG1 4.07Å; V131-V217 HydrophobicContact CG2-CG1 4.01Å; V131-V217 PolarHBondContact N-O 2.96Å; F133-V217 HydrophobicContact CE2-CB 4.29Å; F133-V217 HydrophobicContact CE2-CG2 4.2Å; F163-V217 HydrophobicContact CB-CG2 4.4Å; F163-V217 HydrophobicContact CD1-CG1 4.45Å; F163-V217 HydrophobicContact CD1-CG2 3.93Å; F163-V217 HydrophobicContact CG-CG2 4.41Å; L173-V217 HydrophobicContact CB-CG1 4.06Å; L173-V217 HydrophobicContact CD1-CG1 4.27Å; L173-V217 HydrophobicContact CD2-CG1 4.19Å; L173-V217 HydrophobicContact CG-CG1 4.41Å; S174-V217 WeakPolarHBondContact O-CA 3.49Å
218E96.4Very high96.4Very high18 Ų1860.2 Ų60.28%0.08431%0.31CS..EExtended strand (participates in β ladder)trans-112.3146.3167.5-81-173.5-154.900111.1N129 V130 L173 S174 V176 R185 W216N129-E218 HydrophobicContact CB-CG 4.43Å; N129-E218 CarbonylContact O-C 3.58Å; N129-E218 WeakPolarHBondContact O-CA 3.36Å; V130-E218 HydrophobicContact CG2-CG 4.26Å; L173-E218 CarbonylContact C-O 3.54Å; L173-E218 VanDerWaalsContact CA-O 3.27Å; L173-E218 WeakPolarHBondContact CA-O 3.29Å; S174-E218 PolarHBondContact N-O 3.48Å; S174-E218 PolarHBondContact O-N 3.3Å; V176-E218 HydrophobicContact CG2-CB 3.98Å; V176-E218 HydrophobicContact CG2-CG 4.15Å; R185-E218 IonicContact CZ-OE2 3.1Å; R185-E218 VanDerWaalsContact NH1-CD 3.31Å; R185-E218 IonicContact NH1-OE1 3.88Å; R185-E218 IonicContact NH1-OE2 2.61Å; R185-E218 PolarHBondContact NH1-OE2 3.23Å; R185-E218 IonicContact NH2-OE1 3.47Å; R185-E218 PolarHBondContact NH2-OE1 3.09Å; R185-E218 IonicContact NH2-OE2 2.73Å; R185-E218 PolarHBondContact NH2-OE2 3.43Å; W216-E218 VanDerWaalsContact NE1-CG 3.28Å; W216-E218 PolarHBondContact NE1-OE1 3.46Å
219K94Very high96.3Very high87 Ų8754.8 Ų54.838%0.37829%0.287SS..EExtended strand (participates in β ladder)trans-93.7142.3165.263.5176-17165.30109.8G128 N129 V131 C172 L173G128-K219 WeakPolarHBondContact O-CE 3.47Å; N129-K219 WeakPolarHBondContact O-CG 3.49Å; N129-K219 PolarHBondContact O-N 3.06Å; V131-K219 HydrophobicContact CG2-CB 4.11Å; V131-K219 HydrophobicContact CG2-CG 4.42Å; C172-K219 WeakPolarHBondContact O-CA 3.37Å; L173-K219 HydrophobicContact CD2-CB 3.7Å
220D85.9Confident96.2Very high161 Ų16159.2 Ų59.286%0.86131%0.31SS*.  trans-70.90165.9-75.2-31.4000111.7C172C172-D220 HydrophobicContact CB-CB 3.98Å; C172-D220 PolarHBondContact O-N 2.82Å

Retrieved 220 of 220 residues in 33.1 ms (Link to these results)