A0A096N0C9_PAPAN Loading...

Phospholipase A and acyltransferase 1

AlphaFold DB , UniProt , Accession A0A096N0C9, Species PAPAN (Papio anubis, Olive baboon), Gene PLAAT1, Length 271 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
1M32.2Very low33.7Very low239 Ų239143.7 Ų143.7100%1.17783%0.826SS**  0116.20-116.3171.4-172.800108.7
2V31.5Very low34Very low119 Ų119152.6 Ų152.672%0.72184%0.835SS**  trans65.5109.8142.3-176.40000121.7
3R32.8Very low35Very low238 Ų238151.8 Ų151.890%0.89884%0.839SS**  trans66.9150.6135.9-68177.4171.9175-6.2119.1
4A32.7Very low35.5Very low84 Ų84150.1 Ų150.169%0.69484%0.838SS**  cis-157.3142.432.500000111.1
5S35.4Very low35.6Very low110 Ų110144.7 Ų144.777%0.76983%0.83SS**  51.2140.7106.7-85.60000116.6
6C31.5Very low36Very low96 Ų96144 Ų14465%0.64983%0.832SS**  cis-171.7153.415.4-119.70000110.5
7R36.3Very low36.4Very low236 Ų236141.7 Ų141.789%0.89183%0.834SS**  trans79.7132.5139.9-70.6177.7-164.2-125.82.6123.8
8L34.8Very low36.5Very low175 Ų175147.5 Ų147.592%0.91684%0.839SS**  trans-61.8153.3171.6-83.370.9000114.9
9G32.2Very low36.5Very low81 Ų81152.8 Ų152.884%0.83585%0.845SS**  trans-152.8120.2151.300000110.2
10S36.2Very low36.6Very low116 Ų116157.5 Ų157.581%0.81185%0.849SS**  trans-92.2143.6-170.6-170.20000113.7
11A35.2Very low36.7Very low87 Ų87156.2 Ų156.272%0.71985%0.849SS**  trans31.7126.5148.300000122.2
12R37.7Very low36.7Very low250 Ų250148.4 Ų148.494%0.94383%0.83SS**  trans-139.6123.3140.6-81.5-172.6178-175.3-1.1110.3
13T46.9Very low36.8Very low143 Ų143149.7 Ų149.788%0.87784%0.837SS**  trans-78.3143.2168.432.90000111
14P41.1Very low36.8Very low127 Ų127149.8 Ų149.883%0.82584%0.838SS**  trans-108.5139.8162.96.514.6000112.7
15G37Very low36.7Very low70 Ų70150.1 Ų150.172%0.72284%0.84SS**  trans-76.8-170.9-179.500000116
16P42.4Very low36.6Very low133 Ų133150.1 Ų150.186%0.86484%0.84SS**PPolyproline II helixtrans-82.8134.1-160.131.8-33.4000113.3
17A43.3Very low36.5Very low105 Ų105156.4 Ų156.487%0.86885%0.85SS**PPolyproline II helixtrans-81.1133.3176.800000112.4
18R38.6Very low36.3Very low246 Ų246150.7 Ų150.793%0.92885%0.846SS**PPolyproline II helixtrans-68.5147.6177.7-77.1177.8169.7-162.7-2.4113
19R35.4Very low36.4Very low249 Ų249154.1 Ų154.194%0.9485%0.847SS**PPolyproline II helixtrans-60.8147.6173.3-68.7-178.9173.4-156.6-1.7113.4
20R38Very low36.7Very low246 Ų246153.6 Ų153.693%0.92884%0.842SS**  trans-113.2148.7155-77-172.3174-167.4-0.9110.4
21P40.3Very low36.7Very low131 Ų131151.8 Ų151.885%0.85184%0.841SS**  trans-97.4150.5-17136.1-31000114
22G31.7Very low36.8Very low75 Ų75150.6 Ų150.677%0.77383%0.831SS**  trans98.985.3137.900000118.7
23V33.7Very low36.5Very low146 Ų146142.6 Ų142.689%0.88582%0.819SS**  trans-127.8109.71421790000107.1A25V23-A25 PolarHBondContact O-N 3.45Å; V23-A25 VanDerWaalsContact O-N 3.14Å
24R32.6Very low35.8Very low240 Ų240138.1 Ų138.191%0.90680%0.801SS**  trans-74.198.8179.1178.7-178-90.7-146.5-3108.4S26R24-S26 PolarHBondContact O-N 3.43Å
25A30.9Very low36.1Very low90 Ų90135.3 Ų135.374%0.74478%0.782SS**  trans-68.9107162.500000108.4V23 R27V23-A25 PolarHBondContact O-N 3.45Å; V23-A25 VanDerWaalsContact O-N 3.14Å; A25-R27 PolarHBondContact O-N 3Å
26S31.9Very low36.3Very low110 Ų110134 Ų13477%0.76976%0.759SS**  trans-62.899.1170.151.10000109.2R24 S28R24-S26 PolarHBondContact O-N 3.43Å; S26-S28 PolarHBondContact O-N 2.68Å; S26-S28 VanDerWaalsContact O-N 3.08Å
27R30.2Very low36.3Very low229 Ų229129.5 Ų129.586%0.86473%0.732SS**  trans-63.5105.2162.5-95.4177.1160.4178.1-6107.9A25 R29A25-R27 PolarHBondContact O-N 3Å; R27-R29 VanDerWaalsContact C-N 3.26Å; R27-R29 PolarHBondContact O-N 3.27Å
28S32.1Very low36.3Very low115 Ų115126.9 Ų126.980%0.80471%0.71SS**  trans-64.389.3162.248.60000108.6S26 G30S26-S28 PolarHBondContact O-N 2.68Å; S26-S28 VanDerWaalsContact O-N 3.08Å; S28-G30 PolarHBondContact O-N 2.82Å
29R36.4Very low36.5Very low247 Ų247116.3 Ų116.393%0.93267%0.67SS**  trans-72.881.9158.1-82.9-176.7171.7-175.9-1.8107.4R27R27-R29 VanDerWaalsContact C-N 3.26Å; R27-R29 PolarHBondContact O-N 3.27Å
30G39Very low37Very low71 Ų71109.6 Ų109.673%0.73265%0.645SS**  trans-142.5116174.700000109.3S28S28-G30 PolarHBondContact O-N 2.82Å
31G36.5Very low37.3Very low77 Ų77105.4 Ų105.479%0.79463%0.629SS**SBendtrans128.971.1171.200000113.8
32A36.1Very low37.3Very low62 Ų62104.2 Ų104.251%0.51261%0.607SS.*SBendtrans172.8-47.6152.900000109.7G34 T35 V36A32-G34 VanDerWaalsContact C-N 3.34Å; A32-G34 PolarHBondContact O-N 2.86Å; A32-T35 PolarHBondContact O-N 3.24Å; A32-T35 PolarHBondContact O-OG1 3.13Å; A32-V36 PolarHBondContact O-N 3.01Å
33A31.3Very low37.8Very low83 Ų83102.6 Ų102.669%0.68658%0.584SS**Hα-helixtrans-69.6-31.4-178.500000112.9S37A33-S37 PolarHBondContact O-N 3.36Å; A33-S37 PolarHBondContact O-OG 3.44Å
34G32.7Very low38Very low48 Ų48107 Ų10750%0.49558%0.584SS.*Hα-helixtrans-72.4-32.7177.900000113.8A32 S37 A38A32-G34 VanDerWaalsContact C-N 3.34Å; A32-G34 PolarHBondContact O-N 2.86Å; G34-S37 PolarHBondContact O-OG 3.02Å; G34-A38 WeakPolarHBondContact O-CB 3.05Å; G34-A38 PolarHBondContact O-N 3.24Å
35T47.2Very low38.1Very low69 Ų69105.1 Ų105.142%0.42358%0.578SS.*Hα-helixtrans-78.2-42-177.742.40000111.7A32 S37 A38 W39A32-T35 PolarHBondContact O-N 3.24Å; A32-T35 PolarHBondContact O-OG1 3.13Å; T35-S37 PolarHBondContact O-N 3.35Å; T35-A38 PolarHBondContact O-N 2.83Å; T35-W39 WeakPolarHBondContact O-CB 3.48Å; T35-W39 PolarHBondContact O-N 3.38Å
36V41.5Very low37.9Very low41 Ų41107.8 Ų107.825%0.24857%0.569CS.*Hα-helixtrans-64.3-39.7175178.10000111.4A32 R40A32-V36 PolarHBondContact O-N 3.01Å; V36-R40 WeakPolarHBondContact O-CB 3.3Å; V36-R40 VanDerWaalsContact O-CG 3.3Å; V36-R40 WeakPolarHBondContact O-CG 3.24Å; V36-R40 PolarHBondContact O-N 3.29Å
37S42.8Very low38Very low40 Ų40106.2 Ų106.228%0.2856%0.555SS.*Hα-helixtrans-75-31.6177.953.30000113.4A33 G34 T35 R41A33-S37 PolarHBondContact O-N 3.36Å; A33-S37 PolarHBondContact O-OG 3.44Å; G34-S37 PolarHBondContact O-OG 3.02Å; T35-S37 PolarHBondContact O-N 3.35Å; S37-R41 WeakPolarHBondContact O-CG 3.37Å; S37-R41 VanDerWaalsContact O-CZ 3.29Å; S37-R41 PolarHBondContact O-N 2.95Å; S37-R41 PolarHBondContact O-NE 3.18Å; S37-R41 PolarHBondContact O-NH2 3.3Å; S37-R41 PolarHBondContact OG-NH2 3.36Å
38A44.1Very low38.1Very low50 Ų50107.3 Ų107.341%0.41356%0.56SS.*Hα-helixtrans-67.9-39.6170.800000112G34 T35 R41 W42G34-A38 WeakPolarHBondContact O-CB 3.05Å; G34-A38 PolarHBondContact O-N 3.24Å; T35-A38 PolarHBondContact O-N 2.83Å; A38-R41 PolarHBondContact O-N 3.45Å; A38-W42 WeakPolarHBondContact O-CB 3.43Å; A38-W42 PolarHBondContact O-N 3.37Å
39W43.1Very low38.1Very low24 Ų24112.1 Ų112.19%0.09156%0.56CS.*Hα-helixtrans-70.9-42.3176.8-169.975.3000112.2T35 R41 W42 C43 M171 I202 E206T35-W39 WeakPolarHBondContact O-CB 3.48Å; T35-W39 PolarHBondContact O-N 3.38Å; W39-R41 VanDerWaalsContact C-N 3.26Å; W39-R41 PolarHBondContact O-N 3.13Å; W39-W42 CarbonylContact O-C 3.6Å; W39-W42 WeakPolarHBondContact O-CA 2.93Å; W39-W42 WeakPolarHBondContact O-CB 3.38Å; W39-W42 PolarHBondContact O-N 2.88Å; W39-C43 PolarHBondContact O-N 2.86Å; W39-C43 PolarHBondContact O-SG 2.97Å; W39-C43 VanDerWaalsContact O-SG 3.37Å; W39-M171 HydrophobicContact CD2-SD 4.48Å; W39-M171 HydrophobicContact CE3-SD 4.47Å; W39-I202 HydrophobicContact CH2-CG2 3.8Å; W39-I202 HydrophobicContact CZ2-CG2 4.19Å; W39-E206 HydrophobicContact CH2-CG 3.69Å; W39-E206 WeakPolarHBondContact CH2-OE1 3.44Å; W39-E206 HydrophobicContact CZ3-CB 4.37Å; W39-E206 HydrophobicContact CZ3-CG 3.48Å; W39-E206 VanDerWaalsContact CZ3-CG 3.48Å; W39-E206 WeakPolarHBondContact CZ3-OE1 3.1Å
40R44.1Very low38Very low107 Ų107106.7 Ų106.740%0.40456%0.555SS.*Hα-helixtrans-55.4-40170.2-75-176.1-173.5-65.7-1.6112.3V36 W42 E206V36-R40 WeakPolarHBondContact O-CB 3.3Å; V36-R40 VanDerWaalsContact O-CG 3.3Å; V36-R40 WeakPolarHBondContact O-CG 3.24Å; V36-R40 PolarHBondContact O-N 3.29Å; R40-W42 VanDerWaalsContact C-N 3.3Å; R40-E206 IonicContact NH1-OE2 2.9Å; R40-E206 PolarHBondContact NH1-OE2 3.27Å; R40-E206 PolarHBondContact NH2-O 2.96Å
41R44.5Very low37.7Very low159 Ų159107.4 Ų107.460%0.655%0.554SS**Hα-helixtrans-68.8-26173.4-77.5-176.7-71.8-99.6-3.7113.4S37 A38 W39S37-R41 WeakPolarHBondContact O-CG 3.37Å; S37-R41 VanDerWaalsContact O-CZ 3.29Å; S37-R41 PolarHBondContact O-N 2.95Å; S37-R41 PolarHBondContact O-NE 3.18Å; S37-R41 PolarHBondContact O-NH2 3.3Å; S37-R41 PolarHBondContact OG-NH2 3.36Å; A38-R41 PolarHBondContact O-N 3.45Å; W39-R41 VanDerWaalsContact C-N 3.26Å; W39-R41 PolarHBondContact O-N 3.13Å
42W41Very low37.6Very low105 Ų105112.2 Ų112.240%0.39856%0.56SS.*Hα-helixtrans-83.3-35.9179.1-165.687.5000112.5A38 W39 R40 W44 R45 W46 D140A38-W42 WeakPolarHBondContact O-CB 3.43Å; A38-W42 PolarHBondContact O-N 3.37Å; W39-W42 CarbonylContact O-C 3.6Å; W39-W42 WeakPolarHBondContact O-CA 2.93Å; W39-W42 WeakPolarHBondContact O-CB 3.38Å; W39-W42 PolarHBondContact O-N 2.88Å; R40-W42 VanDerWaalsContact C-N 3.3Å; W42-W44 VanDerWaalsContact C-N 3.3Å; W42-W44 PolarHBondContact O-N 3.25Å; W42-R45 CarbonylContact O-C 3.24Å; W42-R45 VanDerWaalsContact O-CA 3.24Å; W42-R45 WeakPolarHBondContact O-CA 3.4Å; W42-R45 VanDerWaalsContact O-CB 3.3Å; W42-R45 WeakPolarHBondContact O-CB 3.22Å; W42-R45 PolarHBondContact O-N 2.92Å; W42-W46 HydrophobicContact CE3-CE3 4.23Å; W42-W46 AromaticContact CH2-CE3 3.54Å; W42-W46 HydrophobicContact CH2-CE3 3.54Å; W42-W46 AromaticContact CH2-CZ3 3.33Å; W42-W46 HydrophobicContact CH2-CZ3 3.33Å; W42-W46 HydrophobicContact CZ2-CZ3 4.5Å; W42-W46 AromaticContact CZ3-CE3 3.35Å; W42-W46 HydrophobicContact CZ3-CE3 3.35Å; W42-W46 AromaticContact CZ3-CZ3 3.39Å; W42-W46 HydrophobicContact CZ3-CZ3 3.39Å; W42-W46 PolarHBondContact O-N 3.47Å; W42-D140 WeakPolarHBondContact CH2-OD2 3.36Å; W42-D140 WeakPolarHBondContact CZ3-OD2 3.29Å
43C42.6Very low37.4Very low41 Ų41115.4 Ų115.428%0.27758%0.579SS.*Hα-helixtrans-58.4-38.8172.2-64.70000112.2W39 R45 W46 E206W39-C43 PolarHBondContact O-N 2.86Å; W39-C43 PolarHBondContact O-SG 2.97Å; W39-C43 VanDerWaalsContact O-SG 3.37Å; C43-R45 PolarHBondContact O-N 3.38Å; C43-W46 WeakPolarHBondContact O-CB 3.01Å; C43-W46 PolarHBondContact O-N 2.92Å; C43-E206 PolarHBondContact SG-OE1 3.06Å; C43-E206 VanDerWaalsContact SG-OE1 3.36Å
44W38Very low37.4Very low238 Ų238115.3 Ų115.390%0.90259%0.586SS**THydrogen-bonded Turntrans-66.9-17.6171.2-69.5110.2000113.8W42W42-W44 VanDerWaalsContact C-N 3.3Å; W42-W44 PolarHBondContact O-N 3.25Å
45R33.2Very low37.1Very low202 Ų202116.6 Ų116.676%0.76260%0.599SS**THydrogen-bonded Turntrans-99.2-2.7177.7-105.2179.8179.9-97.40.5113.2W42 C43 P47W42-R45 CarbonylContact O-C 3.24Å; W42-R45 VanDerWaalsContact O-CA 3.24Å; W42-R45 WeakPolarHBondContact O-CA 3.4Å; W42-R45 VanDerWaalsContact O-CB 3.3Å; W42-R45 WeakPolarHBondContact O-CB 3.22Å; W42-R45 PolarHBondContact O-N 2.92Å; C43-R45 PolarHBondContact O-N 3.38Å; R45-P47 WeakPolarHBondContact O-CD 3.16Å; R45-P47 WeakPolarHBondContact O-CG 2.98Å
46W27.6Very low36.2Very low146 Ų146124.9 Ų124.955%0.55362%0.623SS**  trans-56.1108.6171.2-167.1-92.1000108.3W42 C43W42-W46 HydrophobicContact CE3-CE3 4.23Å; W42-W46 AromaticContact CH2-CE3 3.54Å; W42-W46 HydrophobicContact CH2-CE3 3.54Å; W42-W46 AromaticContact CH2-CZ3 3.33Å; W42-W46 HydrophobicContact CH2-CZ3 3.33Å; W42-W46 HydrophobicContact CZ2-CZ3 4.5Å; W42-W46 AromaticContact CZ3-CE3 3.35Å; W42-W46 HydrophobicContact CZ3-CE3 3.35Å; W42-W46 AromaticContact CZ3-CZ3 3.39Å; W42-W46 HydrophobicContact CZ3-CZ3 3.39Å; W42-W46 PolarHBondContact O-N 3.47Å; C43-W46 WeakPolarHBondContact O-CB 3.01Å; C43-W46 PolarHBondContact O-N 2.92Å
47P33.7Very low35.6Very low76 Ų76134.8 Ų134.849%0.49466%0.656SS.*  trans-70.1147.9-174.5-15.730.9000109.7R45 R49R45-P47 WeakPolarHBondContact O-CD 3.16Å; R45-P47 WeakPolarHBondContact O-CG 2.98Å; P47-R49 HydrophobicContact CB-CB 4.28Å; P47-R49 HydrophobicContact CB-CG 4.11Å; P47-R49 PolarHBondContact O-N 3Å
48R32.5Very low35.1Very low253 Ų253140.6 Ų140.696%0.95568%0.683SS**SBendtrans-57.762.9157.9-67.1-179.1-176.1-179.30.6111.3
49R33Very low34.8Very low215 Ų215143.8 Ų143.881%0.81170%0.699SS**  trans-133.454.7179.1-73.4-167.2-153.8-123.93.3111.3P47P47-R49 HydrophobicContact CB-CB 4.28Å; P47-R49 HydrophobicContact CB-CG 4.11Å; P47-R49 PolarHBondContact O-N 3Å
50T34.2Very low34.6Very low133 Ų133149 Ų14982%0.81674%0.736SS**SBendtrans-15359147.838.60000107.7
51A33Very low33.9Very low86 Ų86147 Ų14771%0.71175%0.75SS**  trans-150.554.517100000110.6
52L33.5Very low33.2Very low179 Ų179145.6 Ų145.694%0.93776%0.764SS**  trans-148.680.7162.7-78.9-179.2000110.2
53S31.7Very low32.9Very low128 Ų128148.5 Ų148.590%0.89579%0.786SS**SBendtrans-162.5108144.552.80000107.6
54G30.7Very low32.7Very low82 Ų82152.7 Ų152.785%0.84581%0.813SS**  trans131.335.8177.400000115.4R56G54-R56 PolarHBondContact O-N 3.24Å
55G28.1Very low32.3Very low75 Ų75144.4 Ų144.477%0.77380%0.802SS**  trans-74117.7164.100000110.3
56R27.6Very low32.2Very low242 Ų242141.7 Ų141.791%0.91381%0.808SS**  trans-163.598137.8-100.7175.8-152.2-130.36108.4G54G54-R56 PolarHBondContact O-N 3.24Å
57R28.6Very low32.5Very low249 Ų249142.6 Ų142.694%0.9482%0.823SS**PPolyproline II helixtrans-92.3128.1153.3-71.9-174.9-152.6-106.4-0.5107
58L32.8Very low32.4Very low163 Ų163142.7 Ų142.785%0.85384%0.838SS**PPolyproline II helixtrans-89.3144.8165.2-70.1161.8000108.8
59P38.1Very low32.5Very low116 Ų116137.3 Ų137.375%0.75383%0.833SS**PPolyproline II helixtrans-94.1161.7161.235.3-27.5000111.5
60P37.9Very low33.1Very low133 Ų133132.6 Ų132.686%0.86483%0.831SS**PPolyproline II helixtrans-94.9157.5-174.836.9-31.9000113.4
61G30.5Very low33.1Very low67 Ų67137.5 Ų137.569%0.69183%0.834SS**  trans131.3115.9148.400000118.2
62S28.8Very low34.2Very low128 Ų128138 Ų13890%0.89583%0.83SS**  trans94.1111.7138.1-44.70000120.9
63L34.1Very low34Very low166 Ų166137.6 Ų137.687%0.86983%0.828SS**  trans-64.5157.2157.1-74.2169.2000110.9
64P39.5Very low34.1Very low130 Ų130135.8 Ų135.884%0.84482%0.821SS**  -141.8168.964.233.6-11.6000116.5
65G28.8Very low34.1Very low64 Ų64136.2 Ų136.266%0.6682%0.816SS**  trans-83.6178.9-168.800000117.3
66T32.2Very low34.5Very low145 Ų145144.6 Ų144.689%0.8983%0.825SS**  175.2154129.530.60000110
67D33.2Very low34.7Very low164 Ų164138.8 Ų138.888%0.87782%0.821SS**  trans-66.9160.8-167.8-55.4-73.3000116.3
68G30.6Very low34.9Very low79 Ų79132 Ų13281%0.81482%0.818SS**  trans148.2102.1155.600000116.5
69V35.5Very low34.9Very low140 Ų140129.1 Ų129.185%0.84882%0.818SS**  trans-111.8150.1162.4172.90000105.2
70P45.6Very low34.6Very low116 Ų116128.5 Ų128.575%0.75382%0.823SS**  cis-142.4162.73920.27.8000119.8
71R34.3Very low34.4Very low236 Ų236133.7 Ų133.789%0.89183%0.825SS**  trans-9176.6142.2-96.5-177.3154-180-5.2120
72P55.3Low35.4Very low97 Ų97135.7 Ų135.763%0.6383%0.826SS**  cis-138.2177.6-23.335.1-16.3000113.4
73L31Very low35.5Very low170 Ų170140.1 Ų140.189%0.8982%0.823SS**  trans179.6139.8132-101.8148.5000115.8
74A32.9Very low35.2Very low90 Ų90140.5 Ų140.574%0.74482%0.82SS**  trans79.1121.114100000122
75A31.3Very low35.1Very low91 Ų91140.7 Ų140.775%0.75282%0.82SS**  trans-66.5161.9165.200000113.6
76R35.1Very low35.8Very low250 Ų250143.8 Ų143.894%0.94383%0.828SS**  -174.8141.2117.9-98.8169.598.3-1454.4112.5
77S31.7Very low35.7Very low120 Ų120140 Ų14084%0.83982%0.817SS**  trans-71.5153.7170.2-70.20000112.5
78A34.1Very low35.8Very low107 Ų107141.4 Ų141.488%0.88482%0.818SS**  trans-156.8130141.400000110.8
79A32.4Very low36Very low102 Ų102144.6 Ų144.684%0.84382%0.823SS**  trans-96152.7175.300000110.7
80A30.9Very low35.8Very low104 Ų104146.9 Ų146.986%0.8682%0.824SS**  trans-168.2134.3144.800000110.8
81R35.2Very low35.1Very low241 Ų241149.4 Ų149.491%0.90983%0.83SS**  trans-90.4-153.6-179.4-63.6-177.1173.3-168.9-0.2111.5
82P49.9Very low35.8Very low110 Ų110143.3 Ų143.371%0.71482%0.821SS**  -121-179.3-96.138.6-19.7000111.9
83R31.1Very low35.3Very low221 Ų221144.3 Ų144.383%0.83483%0.827SS**  trans178.4113.5151.5-103.6164-179.81792.7108.9
84E29.1Very low36.1Very low173 Ų173140.3 Ų140.381%0.80883%0.827SS**  102.3118.480.6-90.7-173.3-164.700111.1
85T37.8Very low36.3Very low135 Ų135140.4 Ų140.483%0.82883%0.828SS**  trans-85.7150.6171-18.30000109.7
86P43Very low36.9Very low128 Ų128148.1 Ų148.183%0.83184%0.838SS**  -137.8155.912125.6-7.3000109.6
87G29.9Very low36.8Very low65 Ų65147.4 Ų147.467%0.6784%0.835SS**  cis138.7137.134.500000105.9
88H35.3Very low36.9Very low194 Ų194147.5 Ų147.590%0.89883%0.833SS**  trans-60153.4-163.6-63-90.4000116.8
89T33.9Very low37.1Very low147 Ų147152.6 Ų152.690%0.90283%0.829SS**  trans-139.2124153-61.30000109.1
90Q33.2Very low37.2Very low188 Ų188155.7 Ų155.788%0.87983%0.831SS**  trans-127.3131.7-176.5-148.1-174.534.300106.9
91L30Very low37.5Very low168 Ų168158.1 Ų158.188%0.8882%0.822SS**  trans-156.6154.2160-95.3172.4000110.2
92P48.8Very low37.8Very low108 Ų108150.9 Ų150.970%0.70181%0.808SS**  trans-102.3179.5-154.446.1-39.6000112
93P45Very low37.1Very low118 Ų118154 Ų15477%0.76681%0.814SS**  -152.8161.177.735.3-13.1000116.5
94G47.4Very low37.8Very low86 Ų86151.8 Ų151.889%0.88781%0.814SS**  trans-70.712316000000111.3
95A36.8Very low37.9Very low92 Ų92147.5 Ų147.576%0.7681%0.809SS**  trans-141.7113.116000000108.2R97A95-R97 PolarHBondContact O-N 2.73Å
96R43.8Very low38.4Very low253 Ų253149.9 Ų149.996%0.95581%0.808SS**  trans-64.4127.2175.1-69.9176.3-176.5175.91.2109.4
97R34.5Very low38.4Very low236 Ų236149.3 Ų149.389%0.89180%0.798SS**  trans-120.6153.1157.6-87.1-172.4176.8-164.10.2109.9A95A95-R97 PolarHBondContact O-N 2.73Å
98P33.6Very low38.8Very low122 Ų122154.4 Ų154.479%0.79281%0.81SS**  trans-72.6145.9-156.6-8.723.5000113.1L100P98-L100 PolarHBondContact O-N 3.37Å
99R38.5Very low39Very low214 Ų214149.5 Ų149.581%0.80880%0.796SS**  trans-48.195173.7-155.7-176.8-154.7-179.86.7112K101R99-K101 HydrophobicContact CG-CG 4.31Å; R99-K101 PolarHBondContact O-N 3.25Å
100L34.3Very low39.5Very low167 Ų167146.5 Ų146.587%0.87477%0.771SS**  trans-75.797.4152.9-84.6165.1000106.7P98 S102P98-L100 PolarHBondContact O-N 3.37Å; L100-S102 PolarHBondContact O-N 2.85Å
101K36.8Very low39.8Very low154 Ų154141.5 Ų141.567%0.6776%0.757SS**  trans-67.979.9160.3-88.8-176170.8-1720107.8R99R99-K101 HydrophobicContact CG-CG 4.31Å; R99-K101 PolarHBondContact O-N 3.25Å
102S40.6Very low40.3Very low90 Ų90141.3 Ų141.363%0.62976%0.756SS**  trans-103.380.6150.7-171.40000105.7L100 M104L100-S102 PolarHBondContact O-N 2.85Å; S102-M104 PolarHBondContact O-N 2.81Å; S102-M104 VanDerWaalsContact O-N 3.13Å
103E36.6Very low40Very low176 Ų176143.2 Ų143.282%0.82276%0.76SS**  trans-84.275.7167.3-154.9163.6171.200106
104M44.8Very low40.2Very low173 Ų173142.2 Ų142.285%0.85274%0.742SS**  trans-107.695.4158.6-73.4-158.6-155.200107.2S102S102-M104 PolarHBondContact O-N 2.81Å; S102-M104 VanDerWaalsContact O-N 3.13Å
105A32.1Very low40.2Very low84 Ų84143.4 Ų143.469%0.69473%0.734SS**  trans-166.1109.1154.200000104.8
106F47Very low41.6Very low185 Ų185141.3 Ų141.381%0.81172%0.721SS**  72.6128.990.1-166.6-104.8000110.5
107N43.8Very low43.5Very low115 Ų115134.1 Ų134.162%0.61570%0.702SS**  trans92.475.8178.2-47.7-49.8000116.2
108D38.6Very low46.3Very low172 Ų172123.2 Ų123.292%0.9266%0.661SS**  -120.199.8120-89-34.8000107
109C39.1Very low49.2Very low91 Ų91121 Ų12162%0.61565%0.648SS**  trans-53.3132.6-178.6-173.90000109.5S111C109-S111 PolarHBondContact O-N 2.96Å
110F44.2Very low51.9Low85 Ų85113 Ų11337%0.37362%0.624SS.*  trans-39.9111157.4-78.6-99.1000108.7L112 N117 L174F110-L112 PolarHBondContact O-N 2.9Å; F110-N117 WeakPolarHBondContact CB-OD1 3.3Å; F110-L174 HydrophobicContact CE1-CD2 4.35Å
111S39.6Very low54.8Low82 Ų82105.1 Ų105.157%0.57358%0.582SS**  trans-50.3134-172.7-67.20000112.1C109 N113 Y114C109-S111 PolarHBondContact O-N 2.96Å; S111-N113 PolarHBondContact O-N 3.15Å; S111-Y114 PolarHBondContact O-N 3.05Å
112L40Very low57.7Low165 Ų16598.8 Ų98.886%0.86456%0.556SS**THydrogen-bonded Turntrans-62.225.9-178.6-73.1167.3000115.8F110F110-L112 PolarHBondContact O-N 2.9Å
113N41.9Very low60.3Low148 Ų14894.5 Ų94.579%0.79153%0.526SS*.THydrogen-bonded Turntrans-111.83.8174.7-71-14.8000113.1S111S111-N113 PolarHBondContact O-N 3.15Å
114Y50.3Low63.1Low97 Ų9786.1 Ų86.138%0.3849%0.487SS..SBendtrans-116.5138.1-178-67.8-82000111.3S111 G116 Y183S111-Y114 PolarHBondContact O-N 3.05Å; Y114-G116 VanDerWaalsContact C-N 3.32Å; Y114-G116 PolarHBondContact O-N 2.9Å; Y114-Y183 WeakPolarHBondContact CE1-O 3.34Å
115P46.6Very low65.5Low110 Ų11078.6 Ų78.671%0.71445%0.45SS*.SBendtrans-72.589.4-178.131.5-32.6000109.1
116G67.9Low68.3Low48 Ų4874.6 Ų74.650%0.49542%0.417SS..SBendtrans78.8147.7172.900000114.7Y114Y114-G116 VanDerWaalsContact C-N 3.32Å; Y114-G116 PolarHBondContact O-N 2.9Å
117N83.2Confident70.3Confident103 Ų10369.1 Ų69.155%0.55139%0.393SS*.PPolyproline II helixtrans-67.9139.2167.9-69.82.2000108.8F110F110-N117 WeakPolarHBondContact CB-OD1 3.3Å
118P92Very high72.4Confident7 Ų766.4 Ų66.45%0.04537%0.374CS..PPolyproline II helixtrans-62139.6178.526.1-34.6000111.4I124 Y137 L174 I185P118-I124 HydrophobicContact CB-CD1 3.87Å; P118-Y137 HydrophobicContact CB-CD1 3.97Å; P118-Y137 HydrophobicContact CB-CD2 3.95Å; P118-Y137 HydrophobicContact CB-CE1 4.21Å; P118-Y137 HydrophobicContact CB-CE2 4.2Å; P118-Y137 HydrophobicContact CB-CG 3.81Å; P118-Y137 HydrophobicContact CG-CD1 4.35Å; P118-Y137 HydrophobicContact CG-CD2 3.78Å; P118-Y137 HydrophobicContact CG-CE1 4.19Å; P118-Y137 HydrophobicContact CG-CE2 3.6Å; P118-Y137 HydrophobicContact CG-CG 4.14Å; P118-Y137 WeakPolarHBondContact O-CE1 3.46Å; P118-L174 HydrophobicContact CG-CD2 4.06Å; P118-I185 HydrophobicContact CB-CD1 4Å; P118-I185 HydrophobicContact CB-CG1 4.15Å
119C94.4Very high74.4Confident76 Ų7663.3 Ų63.351%0.51436%0.363SS..PPolyproline II helixtrans-97.5148.3175.2-68.70000110.5G121 D122 Y137C119-G121 PolarHBondContact O-N 3.48Å; C119-D122 WeakPolarHBondContact CB-OD2 3.2Å; C119-D122 PolarHBondContact N-OD2 3.04Å; C119-D122 VanDerWaalsContact O-CB 3.22Å; C119-D122 WeakPolarHBondContact O-CB 3.49Å; C119-D122 VanDerWaalsContact O-CG 3.31Å; C119-D122 PolarHBondContact O-N 3.35Å; C119-Y137 VanDerWaalsContact C-CD1 3.44Å; C119-Y137 WeakPolarHBondContact O-CD1 3.32Å
120P96.3Very high76.2Confident45 Ų4562.7 Ų62.729%0.29237%0.372SS..THydrogen-bonded Turntrans-51.5129.4175-26.935.3000111.9V198 I202P120-V198 HydrophobicContact CB-CG1 3.81Å; P120-I202 HydrophobicContact CB-CD1 4.37Å
121G95.7Very high77.9Confident1 Ų160.5 Ų60.51%0.0136%0.362CS..THydrogen-bonded Turntrans98.6-18.1-173.900000114.4C119 Y137 R230C119-G121 PolarHBondContact O-N 3.48Å; G121-Y137 PolarHBondContact N-O 3.18Å; G121-R230 PolarHBondContact O-NH1 3.11Å
122D96.9Very high80Confident22 Ų2260.3 Ų60.312%0.11835%0.352CS..  trans-63.1138.6-178.3-78.2-20000113C119 Y137 I185 N187 R230C119-D122 WeakPolarHBondContact CB-OD2 3.2Å; C119-D122 PolarHBondContact N-OD2 3.04Å; C119-D122 VanDerWaalsContact O-CB 3.22Å; C119-D122 WeakPolarHBondContact O-CB 3.49Å; C119-D122 VanDerWaalsContact O-CG 3.31Å; C119-D122 PolarHBondContact O-N 3.35Å; D122-Y137 PolarHBondContact O-N 2.79Å; D122-I185 HydrophobicContact CB-CG2 3.95Å; D122-N187 PolarHBondContact OD1-ND2 3.18Å; D122-R230 IonicContact OD1-NH1 3.43Å
123L95.9Very high82.4Confident0 Ų053 Ų530%031%0.313CS..EExtended strand (participates in β ladder)trans-80.5129.5171.2-56.5-173.7000109.5W134 L136 I185 N186 N187 V226 T227 R230 Y231L123-W134 HydrophobicContact CB-CE3 4.24Å; L123-W134 HydrophobicContact CB-CZ3 3.95Å; L123-W134 HydrophobicContact CD1-CZ3 4.32Å; L123-L136 HydrophobicContact CD2-CB 4.42Å; L123-L136 HydrophobicContact CD2-CD1 3.97Å; L123-L136 HydrophobicContact CD2-CG 4.38Å; L123-I185 CarbonylContact O-C 3.48Å; L123-I185 WeakPolarHBondContact O-CA 3.34Å; L123-N186 WeakPolarHBondContact CB-O 3.45Å; L123-N186 PolarHBondContact O-N 3.17Å; L123-N187 PolarHBondContact N-OD1 3.47Å; L123-V226 HydrophobicContact CD2-CB 3.87Å; L123-V226 HydrophobicContact CD2-CG2 3.86Å; L123-T227 HydrophobicContact CD1-CG2 4.28Å; L123-R230 HydrophobicContact CD2-CB 4.08Å; L123-Y231 HydrophobicContact CD1-CE2 4.12Å
124I95.6Very high84.8Confident0 Ų046.2 Ų46.20%028%0.276CS..EExtended strand (participates in β ladder)trans-109.6121.6179-53.3-57.6000108.7P118 V126 W134 A135 V143 L174 Y183 I185P118-I124 HydrophobicContact CB-CD1 3.87Å; I124-V126 HydrophobicContact CG2-CG2 4.16Å; I124-W134 WeakPolarHBondContact O-CA 3.31Å; I124-A135 HydrophobicContact CB-CB 4.38Å; I124-A135 PolarHBondContact N-O 2.96Å; I124-A135 PolarHBondContact O-N 3.41Å; I124-V143 HydrophobicContact CG1-CG1 4.39Å; I124-L174 HydrophobicContact CG2-CD1 3.87Å; I124-Y183 HydrophobicContact CG2-CD2 3.68Å; I124-Y183 HydrophobicContact CG2-CG 4.18Å; I124-I185 HydrophobicContact CD1-CG1 3.91Å
125E93.9Very high87Confident14 Ų1441.6 Ų41.67%0.06526%0.258CS..EExtended strand (participates in β ladder)trans-104.1117.5173.3-174.8177.3-16300109Q132 W134 Y183 R184 N186E125-Q132 HydrophobicContact CG-CB 4.27Å; E125-Q132 HydrophobicContact CG-CG 4.45Å; E125-W134 HydrophobicContact CB-CD2 4.43Å; E125-W134 HydrophobicContact CB-CE3 4.31Å; E125-W134 HydrophobicContact CB-CH2 4.02Å; E125-W134 HydrophobicContact CB-CZ2 4.1Å; E125-W134 HydrophobicContact CB-CZ3 4.12Å; E125-W134 HydrophobicContact CG-CH2 4.27Å; E125-W134 HydrophobicContact CG-CZ2 3.86Å; E125-Y183 CarbonylContact O-C 3.44Å; E125-Y183 WeakPolarHBondContact O-CA 3.39Å; E125-Y183 WeakPolarHBondContact O-CB 3.33Å; E125-R184 HydrophobicContact CB-CG 4.11Å; E125-R184 PolarHBondContact N-O 3.08Å; E125-R184 PolarHBondContact O-N 3.27Å; E125-R184 IonicContact OE1-NH2 2.86Å; E125-R184 IonicContact OE2-CZ 2.79Å; E125-R184 IonicContact OE2-NE 3.79Å; E125-R184 PolarHBondContact OE2-NE 2.99Å; E125-R184 IonicContact OE2-NH2 2.63Å; E125-R184 PolarHBondContact OE2-NH2 2.86Å; E125-N186 HydrophobicContact CB-CB 4.18Å; E125-N186 PolarHBondContact OE2-ND2 3.14Å
126V91.4Very high89.3Confident0 Ų036.3 Ų36.30%022%0.224CC..EExtended strand (participates in β ladder)trans-102.6126.3177.7-175.30000108.8I124 R128 H133 V178 D181I124-V126 HydrophobicContact CG2-CG2 4.16Å; V126-R128 PolarHBondContact O-N 2.97Å; V126-H133 HydrophobicContact CB-CB 4.25Å; V126-H133 PolarHBondContact N-O 2.88Å; V126-H133 PolarHBondContact O-N 3.06Å; V126-V178 HydrophobicContact CG2-CG2 4.07Å; V126-D181 HydrophobicContact CG1-CB 4.11Å
127F89.8Confident90.8Very high70 Ų7034.9 Ų34.931%0.30720%0.204SC..EExtended strand (participates in β ladder)trans-87.2103.7-177-61.5-79.1000110.4Q132 D181 T182 R184F127-Q132 HydrophobicContact CD1-CG 4.43Å; F127-D181 WeakPolarHBondContact O-CB 3.46Å; F127-T182 WeakPolarHBondContact CD2-O 3.31Å; F127-T182 WeakPolarHBondContact CD2-OG1 3.33Å; F127-T182 PolarHBondContact N-O 3.26Å; F127-R184 HydrophobicContact CE2-CB 4.18Å; F127-R184 HydrophobicContact CE2-CG 3.74Å; F127-R184 HydrophobicContact CZ-CG 3.76Å
128R87Confident91.4Very high58 Ų5830.4 Ų30.422%0.21918%0.18CC..EExtended strand (participates in β ladder)trans-97.8153.2174.5-54.5-63.3-157.6-169.9-2.4110.5V126 G130 Y131 H133 V177 V178 D181V126-R128 PolarHBondContact O-N 2.97Å; R128-G130 PolarHBondContact O-N 3.39Å; R128-Y131 CarbonylContact C-O 3.59Å; R128-Y131 WeakPolarHBondContact CA-O 3.35Å; R128-Y131 HydrophobicContact CB-CD1 3.61Å; R128-Y131 HydrophobicContact CB-CD2 4.46Å; R128-Y131 HydrophobicContact CB-CE1 3.48Å; R128-Y131 VanDerWaalsContact CB-CE1 3.48Å; R128-Y131 HydrophobicContact CB-CE2 4.35Å; R128-Y131 HydrophobicContact CB-CG 4.13Å; R128-Y131 VanDerWaalsContact CB-O 3.23Å; R128-Y131 WeakPolarHBondContact CB-O 3.12Å; R128-Y131 HydrophobicContact CG-CD1 4.27Å; R128-Y131 HydrophobicContact CG-CD2 4.44Å; R128-Y131 HydrophobicContact CG-CE1 3.8Å; R128-Y131 HydrophobicContact CG-CE2 3.98Å; R128-Y131 PolarHBondContact N-O 3.34Å; R128-Y131 PolarHBondContact O-N 3.48Å; R128-H133 HydrophobicContact CG-CB 4.26Å; R128-V177 PolarHBondContact NH2-O 3.11Å; R128-V178 PolarHBondContact NH1-O 2.85Å; R128-D181 WeakPolarHBondContact CD-OD2 3.42Å; R128-D181 IonicContact CZ-OD2 2.72Å; R128-D181 IonicContact NE-OD2 3.52Å; R128-D181 IonicContact NH1-OD2 3.29Å; R128-D181 PolarHBondContact NH1-OD2 3.23Å
129P79.9Confident91.4Very high107 Ų10730.3 Ų30.370%0.69518%0.18SC*.THydrogen-bonded Turntrans-57.5113.9167.5-23.534.3000110.5
130G77.8Confident91.2Very high78 Ų7831 Ų3180%0.80418%0.179SC*.THydrogen-bonded Turntrans87.1-5.8177.100000116.3R128R128-G130 PolarHBondContact O-N 3.39Å
131Y79.3Confident91Very high40 Ų4029.6 Ų29.616%0.15717%0.172CC..EExtended strand (participates in β ladder)trans-162.7164.7175.377-78000114.2R128 H133 F156 V219R128-Y131 CarbonylContact C-O 3.59Å; R128-Y131 WeakPolarHBondContact CA-O 3.35Å; R128-Y131 HydrophobicContact CB-CD1 3.61Å; R128-Y131 HydrophobicContact CB-CD2 4.46Å; R128-Y131 HydrophobicContact CB-CE1 3.48Å; R128-Y131 VanDerWaalsContact CB-CE1 3.48Å; R128-Y131 HydrophobicContact CB-CE2 4.35Å; R128-Y131 HydrophobicContact CB-CG 4.13Å; R128-Y131 VanDerWaalsContact CB-O 3.23Å; R128-Y131 WeakPolarHBondContact CB-O 3.12Å; R128-Y131 HydrophobicContact CG-CD1 4.27Å; R128-Y131 HydrophobicContact CG-CD2 4.44Å; R128-Y131 HydrophobicContact CG-CE1 3.8Å; R128-Y131 HydrophobicContact CG-CE2 3.98Å; R128-Y131 PolarHBondContact N-O 3.34Å; R128-Y131 PolarHBondContact O-N 3.48Å; Y131-H133 HydrophobicContact CE2-CB 3.99Å; Y131-F156 AromaticContact CD1-CE2 3.89Å; Y131-F156 HydrophobicContact CD1-CE2 3.89Å; Y131-F156 AromaticContact CD1-CZ 3.48Å; Y131-F156 HydrophobicContact CD1-CZ 3.48Å; Y131-F156 VanDerWaalsContact CD1-CZ 3.48Å; Y131-F156 HydrophobicContact CE1-CE2 4.06Å; Y131-F156 HydrophobicContact CE1-CZ 4.02Å; Y131-F156 HydrophobicContact CG-CZ 4.14Å; Y131-V219 HydrophobicContact CD2-CG2 4.2Å; Y131-V219 HydrophobicContact CG-CG2 4.4Å
132Q84.5Confident91Very high78 Ų7832.7 Ų32.736%0.36418%0.184SC..EExtended strand (participates in β ladder)trans-107.4127.3173.6-66.275.118.700109.6E125 F127E125-Q132 HydrophobicContact CG-CB 4.27Å; E125-Q132 HydrophobicContact CG-CG 4.45Å; F127-Q132 HydrophobicContact CD1-CG 4.43Å
133H90.4Very high91Very high11 Ų1131.6 Ų31.65%0.05118%0.178CC..EExtended strand (participates in β ladder)trans-98137.6175.3-177.770.9000109.9V126 R128 Y131 N145V126-H133 HydrophobicContact CB-CB 4.25Å; V126-H133 PolarHBondContact N-O 2.88Å; V126-H133 PolarHBondContact O-N 3.06Å; R128-H133 HydrophobicContact CG-CB 4.26Å; Y131-H133 HydrophobicContact CE2-CB 3.99Å; H133-N145 PolarHBondContact NE2-ND2 3.02Å
134W92.7Very high90.9Very high5 Ų531.6 Ų31.62%0.01918%0.178CC..EExtended strand (participates in β ladder)trans-114.2138.3-178.2-73.485000111.2L123 I124 E125 N186 K188 C222 E223 V226L123-W134 HydrophobicContact CB-CE3 4.24Å; L123-W134 HydrophobicContact CB-CZ3 3.95Å; L123-W134 HydrophobicContact CD1-CZ3 4.32Å; I124-W134 WeakPolarHBondContact O-CA 3.31Å; E125-W134 HydrophobicContact CB-CD2 4.43Å; E125-W134 HydrophobicContact CB-CE3 4.31Å; E125-W134 HydrophobicContact CB-CH2 4.02Å; E125-W134 HydrophobicContact CB-CZ2 4.1Å; E125-W134 HydrophobicContact CB-CZ3 4.12Å; E125-W134 HydrophobicContact CG-CH2 4.27Å; E125-W134 HydrophobicContact CG-CZ2 3.86Å; W134-N186 HydrophobicContact CH2-CB 3.9Å; W134-N186 WeakPolarHBondContact CH2-ND2 3.36Å; W134-N186 HydrophobicContact CZ3-CB 4.09Å; W134-K188 HydrophobicContact CH2-CD 4.25Å; W134-C222 HydrophobicContact CB-CB 3.95Å; W134-E223 HydrophobicContact CD2-CB 4.38Å; W134-E223 HydrophobicContact CD2-CG 4.32Å; W134-E223 HydrophobicContact CG-CB 4.01Å; W134-E223 HydrophobicContact CG-CG 4.46Å; W134-V226 HydrophobicContact CB-CG1 4.47Å; W134-V226 HydrophobicContact CB-CG2 3.93Å; W134-V226 HydrophobicContact CE3-CG2 4.21Å
135A94.8Very high90.8Very high0 Ų032 Ų320%018%0.18CC..EExtended strand (participates in β ladder)trans-140.7160.8175.200000110.1I124 V143 I144 N145I124-A135 HydrophobicContact CB-CB 4.38Å; I124-A135 PolarHBondContact N-O 2.96Å; I124-A135 PolarHBondContact O-N 3.41Å; A135-V143 HydrophobicContact CB-CB 4.02Å; A135-V143 HydrophobicContact CB-CG1 4.41Å; A135-V143 HydrophobicContact CB-CG2 4.2Å; A135-I144 WeakPolarHBondContact CA-O 3.33Å; A135-N145 HydrophobicContact CB-CB 4.12Å
136L96.8Very high90.4Very high0 Ų031.4 Ų31.40%018%0.178CC..EExtended strand (participates in β ladder)trans-116.7130.5174.3-178.9149.3000109.4L123 L138 V143 I144 I201 V226 L229 R230L123-L136 HydrophobicContact CD2-CB 4.42Å; L123-L136 HydrophobicContact CD2-CD1 3.97Å; L123-L136 HydrophobicContact CD2-CG 4.38Å; L136-L138 HydrophobicContact CD2-CD2 3.62Å; L136-V143 CarbonylContact O-C 3.51Å; L136-V143 WeakPolarHBondContact O-CA 3.22Å; L136-V143 WeakPolarHBondContact O-CB 3.46Å; L136-I144 HydrophobicContact CB-CG2 3.74Å; L136-I144 HydrophobicContact CD2-CG2 4.02Å; L136-I144 HydrophobicContact CG-CG2 4.48Å; L136-I144 PolarHBondContact N-O 2.85Å; L136-I144 PolarHBondContact O-N 2.74Å; L136-I201 HydrophobicContact CD1-CG2 3.69Å; L136-I201 HydrophobicContact CD2-CG2 3.8Å; L136-I201 HydrophobicContact CG-CG2 4.35Å; L136-V226 HydrophobicContact CB-CB 4.13Å; L136-V226 HydrophobicContact CB-CG1 4.07Å; L136-L229 HydrophobicContact CD1-CB 3.87Å; L136-R230 HydrophobicContact CD1-CB 4.04Å
137Y97.4Very high89.8Confident18 Ų1832 Ų327%0.07118%0.182CC..EExtended strand (participates in β ladder)trans-79129.3-178-171.2-101.4000111.6P118 C119 G121 D122 D140 G141 Y142 V143 L174P118-Y137 HydrophobicContact CB-CD1 3.97Å; P118-Y137 HydrophobicContact CB-CD2 3.95Å; P118-Y137 HydrophobicContact CB-CE1 4.21Å; P118-Y137 HydrophobicContact CB-CE2 4.2Å; P118-Y137 HydrophobicContact CB-CG 3.81Å; P118-Y137 HydrophobicContact CG-CD1 4.35Å; P118-Y137 HydrophobicContact CG-CD2 3.78Å; P118-Y137 HydrophobicContact CG-CE1 4.19Å; P118-Y137 HydrophobicContact CG-CE2 3.6Å; P118-Y137 HydrophobicContact CG-CG 4.14Å; P118-Y137 WeakPolarHBondContact O-CE1 3.46Å; C119-Y137 VanDerWaalsContact C-CD1 3.44Å; C119-Y137 WeakPolarHBondContact O-CD1 3.32Å; G121-Y137 PolarHBondContact N-O 3.18Å; D122-Y137 PolarHBondContact O-N 2.79Å; Y137-D140 PolarHBondContact OH-N 3.25Å; Y137-G141 PolarHBondContact OH-N 2.91Å; Y137-Y142 WeakPolarHBondContact CD2-O 3.46Å; Y137-V143 HydrophobicContact CD2-CG1 3.95Å; Y137-L174 HydrophobicContact CD2-CD2 4.34Å; Y137-L174 HydrophobicContact CE2-CD2 4.3Å
138L96.1Very high88.8Confident9 Ų930.2 Ų30.25%0.04718%0.178CC..EExtended strand (participates in β ladder)trans-102.6-11.3-176.8-61.5-178.5000113.6L136 Y142 I144 M171 I202 I209L136-L138 HydrophobicContact CD2-CD2 3.62Å; L138-Y142 PolarHBondContact N-O 3.46Å; L138-I144 HydrophobicContact CD1-CB 4.05Å; L138-I144 HydrophobicContact CD1-CG2 4.49Å; L138-I144 HydrophobicContact CD2-CB 4.46Å; L138-I144 HydrophobicContact CD2-CG2 4.01Å; L138-I144 HydrophobicContact CG-CB 4.34Å; L138-I144 HydrophobicContact CG-CG2 4.3Å; L138-M171 HydrophobicContact CD1-CG 4.03Å; L138-M171 HydrophobicContact CD1-SD 4.07Å; L138-I202 HydrophobicContact CB-CD1 4.17Å; L138-I202 HydrophobicContact CD2-CD1 3.68Å; L138-I209 HydrophobicContact CD1-CD1 4.49Å
139G92.6Very high87.6Confident5 Ų529.7 Ų29.75%0.05218%0.181CC..EExtended strand (participates in β ladder)trans110.6161.4-169.200000112.8G141 Y142G139-G141 PolarHBondContact O-N 3.45Å; G139-Y142 WeakPolarHBondContact O-CB 3.43Å; G139-Y142 PolarHBondContact O-N 3.22Å
140D91.3Very high86.4Confident91 Ų9130.4 Ų30.449%0.48718%0.179SC..THydrogen-bonded Turntrans5231.4173.5-53-46.1000115.5W42 Y137 Y142W42-D140 WeakPolarHBondContact CH2-OD2 3.36Å; W42-D140 WeakPolarHBondContact CZ3-OD2 3.29Å; Y137-D140 PolarHBondContact OH-N 3.25Å; D140-Y142 VanDerWaalsContact C-N 3.29Å; D140-Y142 HydrophobicContact CB-CD2 4.26Å; D140-Y142 WeakPolarHBondContact O-CD2 3.39Å; D140-Y142 PolarHBondContact O-N 3.43Å
141G91.7Very high85Confident15 Ų1531 Ų3116%0.15519%0.185CC..THydrogen-bonded Turntrans78.310.4-178.600000114.1Y137 G139 L173 L174Y137-G141 PolarHBondContact OH-N 2.91Å; G139-G141 PolarHBondContact O-N 3.45Å; G141-L173 CarbonylContact O-C 3.51Å; G141-L173 WeakPolarHBondContact O-CA 3.46Å; G141-L174 WeakPolarHBondContact O-CB 3.36Å; G141-L174 PolarHBondContact O-N 2.76Å
142Y95.6Very high83.5Confident65 Ų6535.2 Ų35.226%0.25521%0.209SC..EExtended strand (participates in β ladder)trans-98.3146.2175.9-71-85000112.4Y137 L138 G139 D140 M171 Q172 L173Y137-Y142 WeakPolarHBondContact CD2-O 3.46Å; L138-Y142 PolarHBondContact N-O 3.46Å; G139-Y142 WeakPolarHBondContact O-CB 3.43Å; G139-Y142 PolarHBondContact O-N 3.22Å; D140-Y142 VanDerWaalsContact C-N 3.29Å; D140-Y142 HydrophobicContact CB-CD2 4.26Å; D140-Y142 WeakPolarHBondContact O-CD2 3.39Å; D140-Y142 PolarHBondContact O-N 3.43Å; Y142-M171 HydrophobicContact CD1-CE 4.25Å; Y142-M171 HydrophobicContact CD1-CG 4.05Å; Y142-M171 HydrophobicContact CD1-SD 4.46Å; Y142-M171 HydrophobicContact CE1-CE 4.42Å; Y142-Q172 CarbonylContact C-O 3.58Å; Y142-Q172 WeakPolarHBondContact CA-O 3.17Å; Y142-L173 HydrophobicContact CD1-CD2 3.97Å; Y142-L173 HydrophobicContact CD1-CG 4.41Å; Y142-L173 HydrophobicContact CD2-CD2 4.35Å; Y142-L173 HydrophobicContact CE1-CD2 3.56Å; Y142-L173 HydrophobicContact CE1-CG 3.95Å; Y142-L173 HydrophobicContact CE2-CD2 3.99Å; Y142-L173 HydrophobicContact CG-CD2 4.35Å
143V96.6Very high81.6Confident0 Ų036.7 Ų36.70%023%0.226CC..EExtended strand (participates in β ladder)trans-130.6156.1173-65.10000110.8I124 A135 L136 Y137 M171 Q172 L174 V177I124-V143 HydrophobicContact CG1-CG1 4.39Å; A135-V143 HydrophobicContact CB-CB 4.02Å; A135-V143 HydrophobicContact CB-CG1 4.41Å; A135-V143 HydrophobicContact CB-CG2 4.2Å; L136-V143 CarbonylContact O-C 3.51Å; L136-V143 WeakPolarHBondContact O-CA 3.22Å; L136-V143 WeakPolarHBondContact O-CB 3.46Å; Y137-V143 HydrophobicContact CD2-CG1 3.95Å; V143-M171 CarbonylContact O-C 3.48Å; V143-M171 WeakPolarHBondContact O-CA 3.46Å; V143-Q172 PolarHBondContact N-O 3.45Å; V143-Q172 PolarHBondContact O-N 3.18Å; V143-L174 HydrophobicContact CG1-CB 3.98Å; V143-L174 HydrophobicContact CG1-CD1 3.82Å; V143-L174 HydrophobicContact CG1-CG 4.39Å; V143-V177 HydrophobicContact CG2-CB 4.1Å; V143-V177 HydrophobicContact CG2-CG1 4.45Å; V143-V177 HydrophobicContact CG2-CG2 3.64Å
144I94.8Very high79.5Confident0 Ų038.6 Ų38.60%024%0.238CC..EExtended strand (participates in β ladder)trans-105.9134.1166.2-169171.6000110.3A135 L136 L138 V169 K170 S205 V208 I209 F225 L229A135-I144 WeakPolarHBondContact CA-O 3.33Å; L136-I144 HydrophobicContact CB-CG2 3.74Å; L136-I144 HydrophobicContact CD2-CG2 4.02Å; L136-I144 HydrophobicContact CG-CG2 4.48Å; L136-I144 PolarHBondContact N-O 2.85Å; L136-I144 PolarHBondContact O-N 2.74Å; L138-I144 HydrophobicContact CD1-CB 4.05Å; L138-I144 HydrophobicContact CD1-CG2 4.49Å; L138-I144 HydrophobicContact CD2-CB 4.46Å; L138-I144 HydrophobicContact CD2-CG2 4.01Å; L138-I144 HydrophobicContact CG-CB 4.34Å; L138-I144 HydrophobicContact CG-CG2 4.3Å; I144-V169 HydrophobicContact CD1-CG1 3.57Å; I144-V169 HydrophobicContact CG1-CG1 3.66Å; I144-K170 WeakPolarHBondContact CA-O 3.29Å; I144-S205 WeakPolarHBondContact CD1-O 3.45Å; I144-V208 HydrophobicContact CD1-CG2 3.8Å; I144-I209 HydrophobicContact CD1-CD1 4.4Å; I144-I209 HydrophobicContact CD1-CG1 3.69Å; I144-I209 HydrophobicContact CG1-CG1 4.32Å; I144-F225 HydrophobicContact CD1-CE1 4.36Å; I144-F225 HydrophobicContact CD1-CZ 4Å; I144-F225 HydrophobicContact CG1-CE1 4.08Å; I144-F225 HydrophobicContact CG1-CZ 4.15Å; I144-L229 HydrophobicContact CD1-CD1 4.16Å; I144-L229 HydrophobicContact CG2-CD1 3.87Å
145N91.4Very high77Confident7 Ų742.3 Ų42.34%0.03727%0.265CS..EExtended strand (participates in β ladder)trans-148.5160.6177.164.4-34.5000111.1H133 A135 K170 Q172H133-N145 PolarHBondContact NE2-ND2 3.02Å; A135-N145 HydrophobicContact CB-CB 4.12Å; N145-K170 PolarHBondContact N-O 3.28Å; N145-K170 PolarHBondContact O-N 3.38Å; N145-K170 PolarHBondContact OD1-O 2.72Å; N145-Q172 PolarHBondContact ND2-OE1 2.9Å; N145-Q172 VanDerWaalsContact ND2-OE1 3.11Å; N145-Q172 PolarHBondContact OD1-OE1 2.93Å; N145-Q172 VanDerWaalsContact OD1-OE1 3.07Å
146I85.6Confident74.5Confident3 Ų349.6 Ų49.62%0.01530%0.297CS..EExtended strand (participates in β ladder)trans-85128.3166.4-64.4174.8000108A167 V169 V213 Y215 F225I146-A167 HydrophobicContact CG2-CB 3.37Å; I146-V169 HydrophobicContact CG1-CG2 4.34Å; I146-V213 HydrophobicContact CD1-CG2 4.18Å; I146-V213 HydrophobicContact CG1-CG2 4.42Å; I146-V213 HydrophobicContact CG2-CG2 4.09Å; I146-Y215 HydrophobicContact CD1-CD1 4.34Å; I146-Y215 HydrophobicContact CD1-CE1 3.69Å; I146-Y215 HydrophobicContact CG2-CD1 4.08Å; I146-Y215 HydrophobicContact CG2-CE1 4.32Å; I146-F225 HydrophobicContact CD1-CB 3.44Å; I146-F225 VanDerWaalsContact CD1-CB 3.44Å; I146-F225 HydrophobicContact CD1-CD1 4.01Å; I146-F225 HydrophobicContact CD1-CD2 3.77Å; I146-F225 HydrophobicContact CD1-CG 3.45Å; I146-F225 VanDerWaalsContact CD1-CG 3.45Å; I146-F225 HydrophobicContact CG1-CB 4.18Å; I146-F225 HydrophobicContact CG1-CD1 3.78Å; I146-F225 HydrophobicContact CG1-CD2 4.09Å; I146-F225 HydrophobicContact CG1-CE1 4.16Å; I146-F225 HydrophobicContact CG1-CE2 4.45Å; I146-F225 HydrophobicContact CG1-CG 3.73Å; I146-F225 HydrophobicContact CG1-CZ 4.48Å
147A78.9Confident71.6Confident11 Ų1155.3 Ų55.39%0.09133%0.332CS..EExtended strand (participates in β ladder)trans-125.9143.217600000110.7V149 A167 L168 K170A147-V149 PolarHBondContact O-N 2.86Å; A147-A167 CarbonylContact O-C 3.58Å; A147-A167 WeakPolarHBondContact O-CA 3.18Å; A147-L168 PolarHBondContact N-O 3.13Å; A147-L168 PolarHBondContact O-N 2.9Å; A147-K170 HydrophobicContact CB-CD 3.77Å; A147-K170 HydrophobicContact CB-CG 4.22Å
148P69.8Low68.8Low34 Ų3457.2 Ų57.222%0.22135%0.348CS..EExtended strand (participates in β ladder)trans-55.3137.1175.3-22.532.1000112.1D150 V154 L217 L218P148-D150 PolarHBondContact O-N 2.87Å; P148-D150 VanDerWaalsContact O-N 3.08Å; P148-V154 HydrophobicContact CG-CG1 4.2Å; P148-L217 HydrophobicContact CB-CD2 4.27Å; P148-L217 HydrophobicContact CG-CD2 3.81Å; P148-L218 HydrophobicContact CG-CD1 4.27Å
149V61.7Low66.2Low47 Ų4760.5 Ų60.529%0.28538%0.376SS..SBendtrans-81.879.4166.4-176.30000106.1A147 K166 L168A147-V149 PolarHBondContact O-N 2.86Å; V149-K166 HydrophobicContact CB-CB 4.21Å; V149-K166 VanDerWaalsContact CB-O 3.29Å; V149-K166 WeakPolarHBondContact CB-O 3.2Å; V149-K166 HydrophobicContact CG2-CB 4.22Å; V149-K166 WeakPolarHBondContact CG2-O 3.23Å; V149-K166 PolarHBondContact N-O 2.85Å; V149-L168 HydrophobicContact CG2-CB 3.45Å; V149-L168 VanDerWaalsContact CG2-CB 3.45Å; V149-L168 HydrophobicContact CG2-CD1 4.46Å
150D54.6Low63.5Low121 Ų12169.4 Ų69.465%0.64741%0.413SS*.SBendtrans164.1129.7155.6-79.6-27.9000104.6P148 I152P148-D150 PolarHBondContact O-N 2.87Å; P148-D150 VanDerWaalsContact O-N 3.08Å; D150-I152 HydrophobicContact CB-CG1 4.4Å; D150-I152 PolarHBondContact O-N 2.82Å
151G47.9Very low60.9Low91 Ų9169.6 Ų69.694%0.93842%0.422SS*.SBendtrans-66.425.1-176.100000114.5P153G151-P153 WeakPolarHBondContact O-CD 3.38Å
152I47.4Very low58.8Low128 Ų12871.1 Ų71.166%0.65643%0.428SS*.  trans-85.7115.1174.9-53.5-149.7000106.6D150 V154D150-I152 HydrophobicContact CB-CG1 4.4Å; D150-I152 PolarHBondContact O-N 2.82Å; I152-V154 PolarHBondContact O-N 3.33Å; I152-V154 VanDerWaalsContact O-N 3.08Å
153P44.6Very low56Low110 Ų11074.9 Ų74.971%0.71445%0.446SS*.  trans-55.5123.4170.124.7-31.3000106.5G151 S155G151-P153 WeakPolarHBondContact O-CD 3.38Å; P153-S155 PolarHBondContact O-N 2.69Å
154V48.1Very low53.6Low50 Ų5080.5 Ų80.530%0.30349%0.486SS..  trans-58.891.7177.2-84.70000108.5P148 I152 F156 L217 L218P148-V154 HydrophobicContact CG-CG1 4.2Å; I152-V154 PolarHBondContact O-N 3.33Å; I152-V154 VanDerWaalsContact O-N 3.08Å; V154-F156 PolarHBondContact O-N 2.79Å; V154-L217 HydrophobicContact CG1-CD1 3.54Å; V154-L217 HydrophobicContact CG1-CD2 3.93Å; V154-L217 HydrophobicContact CG1-CG 4.23Å; V154-L218 HydrophobicContact CG1-CD1 4.45Å; V154-L218 HydrophobicContact CG2-CD1 3.85Å
155S38.6Very low51.8Low84 Ų8481.9 Ų81.959%0.58750%0.495SS*.  trans-70.2122.7172.8-155.40000106P153 T157P153-S155 PolarHBondContact O-N 2.69Å; S155-T157 PolarHBondContact O-N 2.82Å
156F42.9Very low50.6Low152 Ų15287.2 Ų87.267%0.66752%0.518SS*.THydrogen-bonded Turntrans-61.412.9-179.7-81.2-89.3000114.2Y131 V154Y131-F156 AromaticContact CD1-CE2 3.89Å; Y131-F156 HydrophobicContact CD1-CE2 3.89Å; Y131-F156 AromaticContact CD1-CZ 3.48Å; Y131-F156 HydrophobicContact CD1-CZ 3.48Å; Y131-F156 VanDerWaalsContact CD1-CZ 3.48Å; Y131-F156 HydrophobicContact CE1-CE2 4.06Å; Y131-F156 HydrophobicContact CE1-CZ 4.02Å; Y131-F156 HydrophobicContact CG-CZ 4.14Å; V154-F156 PolarHBondContact O-N 2.79Å
157T35.9Very low50.2Low121 Ų12187.1 Ų87.174%0.74252%0.518SS*.THydrogen-bonded Turntrans-88.4-1.8-165.155.60000115.2S155S155-T157 PolarHBondContact O-N 2.82Å
158S38Very low50.4Low58 Ų5888.7 Ų88.741%0.40652%0.524SS..  trans-155.3101.7170.3-173.70000113.2K160 S161 V162S158-K160 PolarHBondContact O-N 3.41Å; S158-S161 PolarHBondContact O-N 3.38Å; S158-V162 WeakPolarHBondContact O-CG2 3.27Å
159A41.9Very low51.3Low78 Ų7887.1 Ų87.165%0.64551%0.514SS*.THydrogen-bonded Turntrans-54.6-12.7171.800000114.1F163A159-F163 VanDerWaalsContact O-CD2 3.29Å; A159-F163 WeakPolarHBondContact O-CD2 3.42Å; A159-F163 VanDerWaalsContact O-CE2 3.29Å; A159-F163 WeakPolarHBondContact O-CE2 3.34Å
160K36Very low52.6Low191 Ų19188.5 Ų88.583%0.8352%0.516SS*.THydrogen-bonded Turntrans-92.2-21.1177.3-66.5-153.6178.8-178.70114.7S158 V162S158-K160 PolarHBondContact O-N 3.41Å; K160-V162 VanDerWaalsContact C-N 3.31Å
161S36.8Very low54.5Low96 Ų9684.3 Ų84.367%0.67149%0.493SS*.G310 helixtrans-84.9-9.3173.6-166.60000112.9S158 F163S158-S161 PolarHBondContact O-N 3.38Å; S161-F163 VanDerWaalsContact C-N 3.28Å; S161-F163 PolarHBondContact O-N 2.97Å
162V46.8Very low56.6Low47 Ų4782.9 Ų82.929%0.28546%0.462SS..G310 helixtrans-75.5-12.4-176.9168.50000113.5S158 K160 L217S158-V162 WeakPolarHBondContact O-CG2 3.27Å; K160-V162 VanDerWaalsContact C-N 3.31Å; V162-L217 HydrophobicContact CG1-CB 3.97Å; V162-L217 HydrophobicContact CG1-CD1 4.48Å; V162-L217 HydrophobicContact CG2-CD1 4.42Å
163F37.8Very low58.9Low144 Ų14479 Ų7963%0.63244%0.442SS*.G310 helixtrans-90.5-4-170-83-85.4000116A159 S161 N216A159-F163 VanDerWaalsContact O-CD2 3.29Å; A159-F163 WeakPolarHBondContact O-CD2 3.42Å; A159-F163 VanDerWaalsContact O-CE2 3.29Å; A159-F163 WeakPolarHBondContact O-CE2 3.34Å; S161-F163 VanDerWaalsContact C-N 3.28Å; S161-F163 PolarHBondContact O-N 2.97Å; F163-N216 WeakPolarHBondContact CA-OD1 2.98Å
164S45.8Very low61.2Low118 Ų11874 Ų7483%0.82541%0.41SS*.SBendtrans-138.114.2-171.6-131.40000115.2
165S57.4Low63.3Low29 Ų2978.7 Ų78.720%0.20343%0.426CS..  trans-78126.8177.149.80000111.1Y215 L217S165-Y215 PolarHBondContact O-N 2.83Å; S165-Y215 PolarHBondContact OG-O 2.76Å; S165-Y215 VanDerWaalsContact OG-O 3.11Å; S165-L217 VanDerWaalsContact OG-CD1 3.27Å; S165-L217 WeakPolarHBondContact OG-CD1 3.49Å; S165-L217 WeakPolarHBondContact OG-CG 3.36Å
166K66.6Low65.8Low119 Ų11979.5 Ų79.552%0.51742%0.424SS..EExtended strand (participates in β ladder)trans-68.3135.3161.8-66.5177.8164.6-155.10108.3V149 E212V149-K166 HydrophobicContact CB-CB 4.21Å; V149-K166 VanDerWaalsContact CB-O 3.29Å; V149-K166 WeakPolarHBondContact CB-O 3.2Å; V149-K166 HydrophobicContact CG2-CB 4.22Å; V149-K166 WeakPolarHBondContact CG2-O 3.23Å; V149-K166 PolarHBondContact N-O 2.85Å; K166-E212 WeakPolarHBondContact CD-OE2 3.3Å; K166-E212 IonicContact NZ-OE2 3.67Å; K166-E212 PolarHBondContact NZ-OE2 2.85Å
167A76.2Confident68.1Low1 Ų172.5 Ų72.51%0.00839%0.394CS..EExtended strand (participates in β ladder)trans-116152.7170.800000109.4I146 A147 E212 V213I146-A167 HydrophobicContact CG2-CB 3.37Å; A147-A167 CarbonylContact O-C 3.58Å; A147-A167 WeakPolarHBondContact O-CA 3.18Å; A167-E212 CarbonylContact O-C 3.56Å; A167-E212 WeakPolarHBondContact O-CA 3.5Å; A167-V213 HydrophobicContact CB-CG2 3.99Å; A167-V213 PolarHBondContact N-O 3.19Å; A167-V213 PolarHBondContact O-N 3Å
168L83.4Confident70.7Confident43 Ų4367.3 Ų67.323%0.22536%0.362CS..EExtended strand (participates in β ladder)trans-121.5134.6-178.6-174.8153.2000108.7A147 V149 K170A147-L168 PolarHBondContact N-O 3.13Å; A147-L168 PolarHBondContact O-N 2.9Å; V149-L168 HydrophobicContact CG2-CB 3.45Å; V149-L168 VanDerWaalsContact CG2-CB 3.45Å; V149-L168 HydrophobicContact CG2-CD1 4.46Å; L168-K170 HydrophobicContact CD2-CB 4.48Å; L168-K170 HydrophobicContact CD2-CD 4.24Å; L168-K170 HydrophobicContact CD2-CG 3.33Å; L168-K170 PolarHBondContact O-N 2.84Å
169V89Confident73.2Confident1 Ų166.8 Ų66.81%0.00637%0.365CS..EExtended strand (participates in β ladder)trans-75.2112.1175.5-179.80000108.6I144 I146 V208 G210 Q211 V213 F225I144-V169 HydrophobicContact CD1-CG1 3.57Å; I144-V169 HydrophobicContact CG1-CG1 3.66Å; I146-V169 HydrophobicContact CG1-CG2 4.34Å; V169-V208 VanDerWaalsContact CB-O 3.32Å; V169-V208 WeakPolarHBondContact CB-O 3.46Å; V169-V208 HydrophobicContact CG1-CB 4.49Å; V169-V208 HydrophobicContact CG1-CG2 4.06Å; V169-G210 PolarHBondContact O-N 2.71Å; V169-Q211 PolarHBondContact N-O 2.96Å; V169-V213 HydrophobicContact CG2-CG1 4.21Å; V169-F225 HydrophobicContact CB-CZ 4.42Å; V169-F225 HydrophobicContact CG1-CE1 4.26Å; V169-F225 HydrophobicContact CG1-CE2 4.23Å; V169-F225 HydrophobicContact CG1-CZ 3.51Å; V169-F225 HydrophobicContact CG2-CE2 3.96Å; V169-F225 HydrophobicContact CG2-CZ 4.01Å
170K89.3Confident75.4Confident76 Ų7671.2 Ų71.233%0.3338%0.378SS..EExtended strand (participates in β ladder)trans-110.8145.9-176.5-67.6-173.7-174.6167.30110.9I144 N145 A147 L168 Q172I144-K170 WeakPolarHBondContact CA-O 3.29Å; N145-K170 PolarHBondContact N-O 3.28Å; N145-K170 PolarHBondContact O-N 3.38Å; N145-K170 PolarHBondContact OD1-O 2.72Å; A147-K170 HydrophobicContact CB-CD 3.77Å; A147-K170 HydrophobicContact CB-CG 4.22Å; L168-K170 HydrophobicContact CD2-CB 4.48Å; L168-K170 HydrophobicContact CD2-CD 4.24Å; L168-K170 HydrophobicContact CD2-CG 3.33Å; L168-K170 PolarHBondContact O-N 2.84Å; K170-Q172 HydrophobicContact CB-CG 3.84Å
171M93.6Very high78Confident33 Ų3364.5 Ų64.516%0.16335%0.351CS..EExtended strand (participates in β ladder)trans-98.4124.7161.1-176.517980.900107.9W39 L138 Y142 V143 I209W39-M171 HydrophobicContact CD2-SD 4.48Å; W39-M171 HydrophobicContact CE3-SD 4.47Å; L138-M171 HydrophobicContact CD1-CG 4.03Å; L138-M171 HydrophobicContact CD1-SD 4.07Å; Y142-M171 HydrophobicContact CD1-CE 4.25Å; Y142-M171 HydrophobicContact CD1-CG 4.05Å; Y142-M171 HydrophobicContact CD1-SD 4.46Å; Y142-M171 HydrophobicContact CE1-CE 4.42Å; V143-M171 CarbonylContact O-C 3.48Å; V143-M171 WeakPolarHBondContact O-CA 3.46Å; M171-I209 HydrophobicContact CB-CD1 3.89Å; M171-I209 HydrophobicContact CB-CG1 4.32Å; M171-I209 HydrophobicContact CG-CD1 4.43Å; M171-I209 HydrophobicContact SD-CD1 4.12Å
172Q93.2Very high80.6Confident61 Ų6163.3 Ų63.329%0.28534%0.34SS..EExtended strand (participates in β ladder)trans-138.9160.4-173.8-59.9-169.6-100.600110.3Y142 V143 N145 K170 V177Y142-Q172 CarbonylContact C-O 3.58Å; Y142-Q172 WeakPolarHBondContact CA-O 3.17Å; V143-Q172 PolarHBondContact N-O 3.45Å; V143-Q172 PolarHBondContact O-N 3.18Å; N145-Q172 PolarHBondContact ND2-OE1 2.9Å; N145-Q172 VanDerWaalsContact ND2-OE1 3.11Å; N145-Q172 PolarHBondContact OD1-OE1 2.93Å; N145-Q172 VanDerWaalsContact OD1-OE1 3.07Å; K170-Q172 HydrophobicContact CB-CG 3.84Å; Q172-V177 HydrophobicContact CB-CG2 3.47Å; Q172-V177 VanDerWaalsContact CB-CG2 3.47Å; Q172-V177 HydrophobicContact CG-CG2 4.28Å
173L94.2Very high82.8Confident47 Ų4762.3 Ų62.325%0.24633%0.331CS..EExtended strand (participates in β ladder)trans-70.1135.5171.1-69.2166.9000109.1G141 Y142 K175 D176 V177G141-L173 CarbonylContact O-C 3.51Å; G141-L173 WeakPolarHBondContact O-CA 3.46Å; Y142-L173 HydrophobicContact CD1-CD2 3.97Å; Y142-L173 HydrophobicContact CD1-CG 4.41Å; Y142-L173 HydrophobicContact CD2-CD2 4.35Å; Y142-L173 HydrophobicContact CE1-CD2 3.56Å; Y142-L173 HydrophobicContact CE1-CG 3.95Å; Y142-L173 HydrophobicContact CE2-CD2 3.99Å; Y142-L173 HydrophobicContact CG-CD2 4.35Å; L173-K175 HydrophobicContact CB-CG 3.93Å; L173-K175 PolarHBondContact O-N 2.83Å; L173-D176 HydrophobicContact CB-CB 4.27Å; L173-D176 PolarHBondContact O-N 3.22Å; L173-V177 PolarHBondContact O-N 2.86Å
174L93.4Very high85.5Confident5 Ų560.8 Ų60.83%0.02632%0.321CS..Hα-helixtrans-53.2-44.7177.217558.8000110.7F110 P118 I124 Y137 G141 V143 D176 V177 V178 Y183F110-L174 HydrophobicContact CE1-CD2 4.35Å; P118-L174 HydrophobicContact CG-CD2 4.06Å; I124-L174 HydrophobicContact CG2-CD1 3.87Å; Y137-L174 HydrophobicContact CD2-CD2 4.34Å; Y137-L174 HydrophobicContact CE2-CD2 4.3Å; G141-L174 WeakPolarHBondContact O-CB 3.36Å; G141-L174 PolarHBondContact O-N 2.76Å; V143-L174 HydrophobicContact CG1-CB 3.98Å; V143-L174 HydrophobicContact CG1-CD1 3.82Å; V143-L174 HydrophobicContact CG1-CG 4.39Å; L174-D176 VanDerWaalsContact C-N 3.27Å; L174-D176 PolarHBondContact O-N 3.24Å; L174-V177 CarbonylContact O-C 3.6Å; L174-V177 PolarHBondContact O-N 3.5Å; L174-V178 HydrophobicContact CD1-CG2 3.64Å; L174-V178 HydrophobicContact CG-CG2 4.18Å; L174-V178 WeakPolarHBondContact O-CB 3.46Å; L174-V178 VanDerWaalsContact O-CG2 3.24Å; L174-V178 WeakPolarHBondContact O-CG2 3.17Å; L174-V178 PolarHBondContact O-N 3.31Å; L174-Y183 HydrophobicContact CD2-CE2 4.16Å
175K92.3Very high87.9Confident149 Ų14957.4 Ų57.465%0.64829%0.293SS*.Hα-helixtrans-58.5-35.8176.858.5166.1-172.5178.90113.6L173 G179L173-K175 HydrophobicContact CB-CG 3.93Å; L173-K175 PolarHBondContact O-N 2.83Å; K175-G179 PolarHBondContact O-N 2.9Å
176D91.1Very high89.7Confident101 Ų10157 Ų5754%0.5429%0.289SS..Hα-helixtrans-79.4-35.1-179.2-60.5-11.7000110.3L173 L174L173-D176 HydrophobicContact CB-CB 4.27Å; L173-D176 PolarHBondContact O-N 3.22Å; L174-D176 VanDerWaalsContact C-N 3.27Å; L174-D176 PolarHBondContact O-N 3.24Å
177V90.3Very high91Very high5 Ų553.2 Ų53.23%0.0327%0.274CS..Hα-helixtrans-68.4-39.1173.1175.30000110.5R128 V143 Q172 L173 L174R128-V177 PolarHBondContact NH2-O 3.11Å; V143-V177 HydrophobicContact CG2-CB 4.1Å; V143-V177 HydrophobicContact CG2-CG1 4.45Å; V143-V177 HydrophobicContact CG2-CG2 3.64Å; Q172-V177 HydrophobicContact CB-CG2 3.47Å; Q172-V177 VanDerWaalsContact CB-CG2 3.47Å; Q172-V177 HydrophobicContact CG-CG2 4.28Å; L173-V177 PolarHBondContact O-N 2.86Å; L174-V177 CarbonylContact O-C 3.6Å; L174-V177 PolarHBondContact O-N 3.5Å
178V91.3Very high91.8Very high12 Ų1256.5 Ų56.57%0.07329%0.289CS..Hα-helixtrans-73.9-46178.3172.60000110.6V126 R128 L174 N180 D181 Y183V126-V178 HydrophobicContact CG2-CG2 4.07Å; R128-V178 PolarHBondContact NH1-O 2.85Å; L174-V178 HydrophobicContact CD1-CG2 3.64Å; L174-V178 HydrophobicContact CG-CG2 4.18Å; L174-V178 WeakPolarHBondContact O-CB 3.46Å; L174-V178 VanDerWaalsContact O-CG2 3.24Å; L174-V178 WeakPolarHBondContact O-CG2 3.17Å; L174-V178 PolarHBondContact O-N 3.31Å; V178-N180 PolarHBondContact O-N 3.12Å; V178-D181 WeakPolarHBondContact CG1-O 3.42Å; V178-D181 PolarHBondContact O-N 3.2Å; V178-Y183 HydrophobicContact CB-CD1 4.44Å; V178-Y183 HydrophobicContact CG1-CD1 3.98Å; V178-Y183 HydrophobicContact CG2-CD1 3.63Å; V178-Y183 HydrophobicContact CG2-CE1 4.35Å; V178-Y183 HydrophobicContact CG2-CG 3.94Å
179G90.5Very high92.1Very high47 Ų4755.4 Ų55.449%0.48528%0.282SS..THydrogen-bonded Turntrans62.1-124-17600000111K175K175-G179 PolarHBondContact O-N 2.9Å
180N88.5Confident92.3Very high171 Ų17158 Ų5891%0.91430%0.296SS*.THydrogen-bonded Turntrans-92.9-1.2179.4-63.6-19.6000113.6V178V178-N180 PolarHBondContact O-N 3.12Å
181D90.4Very high92.4Very high49 Ų4963.7 Ų63.726%0.26232%0.323SS..SBendtrans-86.4172.2-177.7-72-44.5000111.9V126 F127 R128 V178V126-D181 HydrophobicContact CG1-CB 4.11Å; F127-D181 WeakPolarHBondContact O-CB 3.46Å; R128-D181 WeakPolarHBondContact CD-OD2 3.42Å; R128-D181 IonicContact CZ-OD2 2.72Å; R128-D181 IonicContact NE-OD2 3.52Å; R128-D181 IonicContact NH1-OD2 3.29Å; R128-D181 PolarHBondContact NH1-OD2 3.23Å; V178-D181 WeakPolarHBondContact CG1-O 3.42Å; V178-D181 PolarHBondContact O-N 3.2Å
182T91.4Very high92.2Very high71 Ų7167 Ų6744%0.43635%0.345SS..EExtended strand (participates in β ladder)trans-96.5155.9174.158.10000110.6F127F127-T182 WeakPolarHBondContact CD2-O 3.31Å; F127-T182 WeakPolarHBondContact CD2-OG1 3.33Å; F127-T182 PolarHBondContact N-O 3.26Å
183Y94.1Very high92Very high27 Ų2767.1 Ų67.111%0.10634%0.344CS..EExtended strand (participates in β ladder)trans-137.4163173.977.4-83.9000111.4Y114 I124 E125 L174 V178Y114-Y183 WeakPolarHBondContact CE1-O 3.34Å; I124-Y183 HydrophobicContact CG2-CD2 3.68Å; I124-Y183 HydrophobicContact CG2-CG 4.18Å; E125-Y183 CarbonylContact O-C 3.44Å; E125-Y183 WeakPolarHBondContact O-CA 3.39Å; E125-Y183 WeakPolarHBondContact O-CB 3.33Å; L174-Y183 HydrophobicContact CD2-CE2 4.16Å; V178-Y183 HydrophobicContact CB-CD1 4.44Å; V178-Y183 HydrophobicContact CG1-CD1 3.98Å; V178-Y183 HydrophobicContact CG2-CD1 3.63Å; V178-Y183 HydrophobicContact CG2-CE1 4.35Å; V178-Y183 HydrophobicContact CG2-CG 3.94Å
184R94.4Very high91.9Very high111 Ų11170 Ų7042%0.41937%0.365SS..EExtended strand (participates in β ladder)trans-137.5156167.665.2173177.5-175.8-3.6111.1E125 F127 N186E125-R184 HydrophobicContact CB-CG 4.11Å; E125-R184 PolarHBondContact N-O 3.08Å; E125-R184 PolarHBondContact O-N 3.27Å; E125-R184 IonicContact OE1-NH2 2.86Å; E125-R184 IonicContact OE2-CZ 2.79Å; E125-R184 IonicContact OE2-NE 3.79Å; E125-R184 PolarHBondContact OE2-NE 2.99Å; E125-R184 IonicContact OE2-NH2 2.63Å; E125-R184 PolarHBondContact OE2-NH2 2.86Å; F127-R184 HydrophobicContact CE2-CB 4.18Å; F127-R184 HydrophobicContact CE2-CG 3.74Å; F127-R184 HydrophobicContact CZ-CG 3.76Å; R184-N186 HydrophobicContact CG-CB 4.27Å; R184-N186 PolarHBondContact NH2-ND2 3Å
185I95.6Very high92Very high47 Ų4772.5 Ų72.524%0.24138%0.382CS..EExtended strand (participates in β ladder)trans-76.4127.8163.5-60.9161.7000107.1P118 D122 L123 I124P118-I185 HydrophobicContact CB-CD1 4Å; P118-I185 HydrophobicContact CB-CG1 4.15Å; D122-I185 HydrophobicContact CB-CG2 3.95Å; L123-I185 CarbonylContact O-C 3.48Å; L123-I185 WeakPolarHBondContact O-CA 3.34Å; I124-I185 HydrophobicContact CD1-CG1 3.91Å
186N94.7Very high92.2Very high22 Ų2267.3 Ų67.312%0.11836%0.361CS..  trans-14380.6-176-169.62.1000112.8L123 E125 W134 R184 K188L123-N186 WeakPolarHBondContact CB-O 3.45Å; L123-N186 PolarHBondContact O-N 3.17Å; E125-N186 HydrophobicContact CB-CB 4.18Å; E125-N186 PolarHBondContact OE2-ND2 3.14Å; W134-N186 HydrophobicContact CH2-CB 3.9Å; W134-N186 WeakPolarHBondContact CH2-ND2 3.36Å; W134-N186 HydrophobicContact CZ3-CB 4.09Å; R184-N186 HydrophobicContact CG-CB 4.27Å; R184-N186 PolarHBondContact NH2-ND2 3Å; N186-K188 PolarHBondContact O-N 2.89Å; N186-K188 VanDerWaalsContact O-N 3.14Å; N186-K188 WeakPolarHBondContact OD1-CB 3.29Å; N186-K188 PolarHBondContact OD1-N 2.78Å
187N94.8Very high92.4Very high38 Ų3866.4 Ų66.420%0.20336%0.361CS..  trans-8543.8173.5-59-29.8000112.3D122 L123 Y189 D190 R230D122-N187 PolarHBondContact OD1-ND2 3.18Å; L123-N187 PolarHBondContact N-OD1 3.47Å; N187-Y189 PolarHBondContact O-N 3.49Å; N187-D190 WeakPolarHBondContact CB-OD2 3.42Å; N187-D190 WeakPolarHBondContact O-CB 3.34Å; N187-D190 PolarHBondContact O-N 2.77Å; N187-R230 PolarHBondContact ND2-NH2 3.06Å
188K91.4Very high92.7Very high71 Ų7169.1 Ų69.131%0.30938%0.377SS..THydrogen-bonded Turntrans-57.3-12-173.560.9-176-174.4-176.80116.8W134 N186 E223W134-K188 HydrophobicContact CH2-CD 4.25Å; N186-K188 PolarHBondContact O-N 2.89Å; N186-K188 VanDerWaalsContact O-N 3.14Å; N186-K188 WeakPolarHBondContact OD1-CB 3.29Å; N186-K188 PolarHBondContact OD1-N 2.78Å; K188-E223 WeakPolarHBondContact CE-OE1 2.81Å; K188-E223 IonicContact NZ-OE1 2.9Å; K188-E223 PolarHBondContact NZ-OE1 3.14Å
189Y91.1Very high92.9Very high19 Ų1975.4 Ų75.48%0.07541%0.405CS..THydrogen-bonded Turntrans-101.1-4.7-178.7-61.5-64.9000113.1N187 E191 T192 Y193 E223 T227 Y231 V235N187-Y189 PolarHBondContact O-N 3.49Å; Y189-E191 PolarHBondContact O-N 2.9Å; Y189-T192 PolarHBondContact O-N 2.93Å; Y189-Y193 PolarHBondContact O-N 2.79Å; Y189-E223 HydrophobicContact CE2-CG 4.36Å; Y189-E223 WeakPolarHBondContact CE2-OE1 3.32Å; Y189-E223 PolarHBondContact OH-OE1 2.93Å; Y189-T227 HydrophobicContact CD2-CG2 3.67Å; Y189-T227 HydrophobicContact CE2-CG2 3.74Å; Y189-Y231 HydrophobicContact CD2-CE2 4.21Å; Y189-Y231 HydrophobicContact CG-CE2 4.39Å; Y189-V235 HydrophobicContact CD1-CG1 4Å; Y189-V235 HydrophobicContact CE1-CG1 3.61Å; Y189-V235 HydrophobicContact CE2-CG1 4.35Å
190D93.6Very high93.2Very high56 Ų5676 Ų7630%0.29940%0.396SS..THydrogen-bonded Turntrans-59.8-29-178.8-791.5000113N187 T192 Y193 R230 Y231N187-D190 WeakPolarHBondContact CB-OD2 3.42Å; N187-D190 WeakPolarHBondContact O-CB 3.34Å; N187-D190 PolarHBondContact O-N 2.77Å; D190-T192 VanDerWaalsContact C-N 3.32Å; D190-Y193 WeakPolarHBondContact CA-O 3.42Å; D190-R230 IonicContact OD1-CZ 2.71Å; D190-R230 VanDerWaalsContact OD1-CZ 3.29Å; D190-R230 IonicContact OD1-NE 2.66Å; D190-R230 PolarHBondContact OD1-NE 3.27Å; D190-R230 IonicContact OD1-NH2 2.71Å; D190-R230 PolarHBondContact OD1-NH2 2.83Å; D190-R230 IonicContact OD2-CZ 3.86Å; D190-R230 IonicContact OD2-NH2 3.12Å; D190-R230 PolarHBondContact OD2-NH2 3.41Å; D190-Y231 PolarHBondContact N-OH 3.14Å; D190-Y231 VanDerWaalsContact OD1-CE1 3.27Å; D190-Y231 WeakPolarHBondContact OD1-CE1 3.37Å; D190-Y231 PolarHBondContact OD1-OH 3.41Å
191E90.1Very high93.5Very high195 Ų19568 Ų6891%0.91135%0.353SS*.THydrogen-bonded Turntrans-71.4-27.3177.1-65.4-178.2-178.200112.8Y189Y189-E191 PolarHBondContact O-N 2.9Å
192T90Very high93.7Very high102 Ų10266.9 Ų66.963%0.62635%0.347SS*.THydrogen-bonded Turntrans-103.5-35-176.7-500000112.2Y189 D190Y189-T192 PolarHBondContact O-N 2.93Å; D190-T192 VanDerWaalsContact C-N 3.32Å
193Y87.9Confident93.9Very high65 Ų6570.1 Ų70.126%0.25536%0.355SS..SBendtrans-125.1116.8-176.9-62.4-88.3000108.9Y189 D190 Y231 V235Y189-Y193 PolarHBondContact O-N 2.79Å; D190-Y193 WeakPolarHBondContact CA-O 3.42Å; Y193-Y231 VanDerWaalsContact O-CD1 3.23Å; Y193-Y231 WeakPolarHBondContact O-CD1 3.4Å; Y193-Y231 WeakPolarHBondContact O-CE1 3.33Å; Y193-V235 HydrophobicContact CD2-CG2 4.18Å; Y193-V235 HydrophobicContact CE1-CG2 4.12Å; Y193-V235 HydrophobicContact CE2-CG1 4.24Å; Y193-V235 HydrophobicContact CE2-CG2 3.74Å
194P92.4Very high93.9Very high106 Ų10672.9 Ų72.969%0.68837%0.365SS*.PPolyproline II helixtrans-64.6128.517726.1-32.3000109.6
195P95.7Very high93.8Very high58 Ų5867.6 Ų67.638%0.37735%0.345SS..PPolyproline II helixtrans-65.8146.9177.227.7-34.2000110.6R230 Y231P195-R230 HydrophobicContact CB-CG 4.1Å; P195-Y231 HydrophobicContact CB-CD1 4.36Å; P195-Y231 HydrophobicContact CB-CE1 4.18Å
196L95.9Very high93.7Very high40 Ų4067 Ų6721%0.20934%0.341CS..PPolyproline II helixtrans-65.6158.8172-64.6169.7000110.5V198 E200 I201 R204 R230L196-V198 PolarHBondContact O-N 3.38Å; L196-E200 HydrophobicContact CD1-CG 4.36Å; L196-I201 HydrophobicContact CB-CD1 4.36Å; L196-I201 HydrophobicContact CB-CG1 3.78Å; L196-I201 VanDerWaalsContact O-CD1 3.31Å; L196-I201 WeakPolarHBondContact O-CD1 3.47Å; L196-R204 VanDerWaalsContact CD1-CZ 3.45Å; L196-R204 VanDerWaalsContact CD1-NH1 3.25Å; L196-R230 WeakPolarHBondContact CB-O 3.45Å; L196-R230 VanDerWaalsContact CG-O 3.31Å; L196-R230 WeakPolarHBondContact CG-O 3.31Å; L196-R230 PolarHBondContact N-O 3.27Å
197P97.2Very high93.5Very high83 Ų8372.2 Ų72.254%0.53936%0.363SS..PPolyproline II helixtrans-52.5137.1168.5-24.534.3000110.6E199 E200 I201P197-E199 PolarHBondContact O-N 3.35Å; P197-E199 VanDerWaalsContact O-N 3.13Å; P197-E200 HydrophobicContact CB-CB 4.46Å; P197-E200 WeakPolarHBondContact O-CA 3.47Å; P197-E200 WeakPolarHBondContact O-CB 3.39Å; P197-E200 PolarHBondContact O-N 3.48Å; P197-I201 PolarHBondContact O-N 2.87Å
198V96.3Very high93.3Very high62 Ų6271.7 Ų71.738%0.37636%0.361SS..Hα-helixtrans-53.1-41.1-175.7173.90000111P120 L196 E200 I201 I202P120-V198 HydrophobicContact CB-CG1 3.81Å; L196-V198 PolarHBondContact O-N 3.38Å; V198-E200 VanDerWaalsContact C-N 3.27Å; V198-E200 PolarHBondContact O-N 3.19Å; V198-I201 WeakPolarHBondContact O-CB 3.24Å; V198-I201 PolarHBondContact O-N 3.17Å; V198-I201 VanDerWaalsContact O-N 3.15Å; V198-I202 HydrophobicContact CG1-CG1 4.21Å; V198-I202 VanDerWaalsContact O-CG1 3.32Å; V198-I202 WeakPolarHBondContact O-CG1 3.42Å; V198-I202 PolarHBondContact O-N 2.97Å
199E95.4Very high93.3Very high143 Ų14370 Ų7067%0.66836%0.355SS*.Hα-helixtrans-58.8-38.3178.2-62.974.4-162.600112.5P197 K203P197-E199 PolarHBondContact O-N 3.35Å; P197-E199 VanDerWaalsContact O-N 3.13Å; E199-K203 WeakPolarHBondContact O-CB 3.22Å; E199-K203 PolarHBondContact O-N 3Å
200E95.6Very high93Very high61 Ų6171.3 Ų71.329%0.28537%0.374SS..Hα-helixtrans-72.9-39.7177.5-179.263.7-170.200111.1L196 P197 V198 I202 K203 R204L196-E200 HydrophobicContact CD1-CG 4.36Å; P197-E200 HydrophobicContact CB-CB 4.46Å; P197-E200 WeakPolarHBondContact O-CA 3.47Å; P197-E200 WeakPolarHBondContact O-CB 3.39Å; P197-E200 PolarHBondContact O-N 3.48Å; V198-E200 VanDerWaalsContact C-N 3.27Å; V198-E200 PolarHBondContact O-N 3.19Å; E200-I202 VanDerWaalsContact C-N 3.35Å; E200-I202 PolarHBondContact O-N 2.98Å; E200-K203 PolarHBondContact O-N 3.11Å; E200-R204 WeakPolarHBondContact O-CB 3.24Å; E200-R204 VanDerWaalsContact O-CG 3.29Å; E200-R204 WeakPolarHBondContact O-CG 3.36Å; E200-R204 PolarHBondContact O-N 2.9Å; E200-R204 IonicContact OE1-CZ 2.97Å; E200-R204 IonicContact OE1-NE 3.18Å; E200-R204 PolarHBondContact OE1-NE 3.11Å; E200-R204 IonicContact OE1-NH2 3.43Å; E200-R204 PolarHBondContact OE1-NH2 3.02Å
201I96.1Very high92.6Very high2 Ų271.9 Ų71.91%0.0138%0.375CS..Hα-helixtrans-58.7-48.7174.2-61.1175.4000110.1L136 L196 P197 V198 R204 S205 R230L136-I201 HydrophobicContact CD1-CG2 3.69Å; L136-I201 HydrophobicContact CD2-CG2 3.8Å; L136-I201 HydrophobicContact CG-CG2 4.35Å; L196-I201 HydrophobicContact CB-CD1 4.36Å; L196-I201 HydrophobicContact CB-CG1 3.78Å; L196-I201 VanDerWaalsContact O-CD1 3.31Å; L196-I201 WeakPolarHBondContact O-CD1 3.47Å; P197-I201 PolarHBondContact O-N 2.87Å; V198-I201 WeakPolarHBondContact O-CB 3.24Å; V198-I201 PolarHBondContact O-N 3.17Å; V198-I201 VanDerWaalsContact O-N 3.15Å; I201-R204 PolarHBondContact O-N 3.29Å; I201-S205 WeakPolarHBondContact O-CB 3.49Å; I201-S205 PolarHBondContact O-N 2.85Å; I201-S205 PolarHBondContact O-OG 3.28Å; I201-R230 HydrophobicContact CD1-CB 4.43Å; I201-R230 HydrophobicContact CD1-CG 4.03Å
202I94.9Very high92.1Very high25 Ų2568 Ų6813%0.12836%0.357CS..Hα-helixtrans-62.3-49.5178.7-62.5-52.8000109.8W39 P120 L138 V198 E200 R204 S205 E206W39-I202 HydrophobicContact CH2-CG2 3.8Å; W39-I202 HydrophobicContact CZ2-CG2 4.19Å; P120-I202 HydrophobicContact CB-CD1 4.37Å; L138-I202 HydrophobicContact CB-CD1 4.17Å; L138-I202 HydrophobicContact CD2-CD1 3.68Å; V198-I202 HydrophobicContact CG1-CG1 4.21Å; V198-I202 VanDerWaalsContact O-CG1 3.32Å; V198-I202 WeakPolarHBondContact O-CG1 3.42Å; V198-I202 PolarHBondContact O-N 2.97Å; E200-I202 VanDerWaalsContact C-N 3.35Å; E200-I202 PolarHBondContact O-N 2.98Å; I202-R204 VanDerWaalsContact C-N 3.35Å; I202-R204 PolarHBondContact O-N 2.97Å; I202-S205 CarbonylContact O-C 3.32Å; I202-S205 WeakPolarHBondContact O-CA 3.32Å; I202-S205 VanDerWaalsContact O-CB 3.29Å; I202-S205 WeakPolarHBondContact O-CB 3.32Å; I202-S205 PolarHBondContact O-N 3.3Å; I202-E206 HydrophobicContact CG2-CG 4.24Å; I202-E206 WeakPolarHBondContact O-CG 3.22Å; I202-E206 PolarHBondContact O-N 2.78Å
203K94.3Very high91.2Very high140 Ų14065 Ų6561%0.60934%0.339SS*.Hα-helixtrans-57-44.1179.8-175-177.7177.3-169.50112.9E199 E200 E206 F207E199-K203 WeakPolarHBondContact O-CB 3.22Å; E199-K203 PolarHBondContact O-N 3Å; E200-K203 PolarHBondContact O-N 3.11Å; K203-E206 PolarHBondContact O-N 3.21Å; K203-F207 PolarHBondContact O-N 2.95Å
204R93.7Very high90.1Very high85 Ų8566.5 Ų66.532%0.32137%0.365SS..Hα-helixtrans-62.9-44174.8-73.1176.8-177-156.64.4111.4L196 E200 I201 I202 E206 F207 V208 L229L196-R204 VanDerWaalsContact CD1-CZ 3.45Å; L196-R204 VanDerWaalsContact CD1-NH1 3.25Å; E200-R204 WeakPolarHBondContact O-CB 3.24Å; E200-R204 VanDerWaalsContact O-CG 3.29Å; E200-R204 WeakPolarHBondContact O-CG 3.36Å; E200-R204 PolarHBondContact O-N 2.9Å; E200-R204 IonicContact OE1-CZ 2.97Å; E200-R204 IonicContact OE1-NE 3.18Å; E200-R204 PolarHBondContact OE1-NE 3.11Å; E200-R204 IonicContact OE1-NH2 3.43Å; E200-R204 PolarHBondContact OE1-NH2 3.02Å; I201-R204 PolarHBondContact O-N 3.29Å; I202-R204 VanDerWaalsContact C-N 3.35Å; I202-R204 PolarHBondContact O-N 2.97Å; R204-E206 VanDerWaalsContact C-N 3.34Å; R204-E206 PolarHBondContact O-N 3.07Å; R204-F207 WeakPolarHBondContact O-CB 3.48Å; R204-F207 PolarHBondContact O-N 3.25Å; R204-V208 PolarHBondContact O-N 3.49Å; R204-L229 HydrophobicContact CB-CD2 3.98Å
205S94.1Very high88.2Confident0 Ų063.1 Ų63.10%034%0.339CS..Hα-helixtrans-58.6-46.2176.5-57.70000111I144 I201 I202 F207 V208 I209I144-S205 WeakPolarHBondContact CD1-O 3.45Å; I201-S205 WeakPolarHBondContact O-CB 3.49Å; I201-S205 PolarHBondContact O-N 2.85Å; I201-S205 PolarHBondContact O-OG 3.28Å; I202-S205 CarbonylContact O-C 3.32Å; I202-S205 WeakPolarHBondContact O-CA 3.32Å; I202-S205 VanDerWaalsContact O-CB 3.29Å; I202-S205 WeakPolarHBondContact O-CB 3.32Å; I202-S205 PolarHBondContact O-N 3.3Å; S205-F207 PolarHBondContact O-N 2.9Å; S205-V208 VanDerWaalsContact O-CG2 3.29Å; S205-V208 WeakPolarHBondContact O-CG2 3.5Å; S205-V208 PolarHBondContact O-N 2.74Å; S205-I209 WeakPolarHBondContact O-CG1 3.49Å; S205-I209 PolarHBondContact O-N 3.26Å
206E91.6Very high86.3Confident33 Ų3364 Ų6415%0.15434%0.34CS..Hα-helixtrans-60.5-32.3178.6-48.6-156.5162.800113.8W39 R40 C43 I202 K203 R204W39-E206 HydrophobicContact CH2-CG 3.69Å; W39-E206 WeakPolarHBondContact CH2-OE1 3.44Å; W39-E206 HydrophobicContact CZ3-CB 4.37Å; W39-E206 HydrophobicContact CZ3-CG 3.48Å; W39-E206 VanDerWaalsContact CZ3-CG 3.48Å; W39-E206 WeakPolarHBondContact CZ3-OE1 3.1Å; R40-E206 IonicContact NH1-OE2 2.9Å; R40-E206 PolarHBondContact NH1-OE2 3.27Å; R40-E206 PolarHBondContact NH2-O 2.96Å; C43-E206 PolarHBondContact SG-OE1 3.06Å; C43-E206 VanDerWaalsContact SG-OE1 3.36Å; I202-E206 HydrophobicContact CG2-CG 4.24Å; I202-E206 WeakPolarHBondContact O-CG 3.22Å; I202-E206 PolarHBondContact O-N 2.78Å; K203-E206 PolarHBondContact O-N 3.21Å; R204-E206 VanDerWaalsContact C-N 3.34Å; R204-E206 PolarHBondContact O-N 3.07Å
207F92Very high84.2Confident132 Ų13263.9 Ų63.958%0.57934%0.339SS*.Hα-helixtrans-71.8-36.9-177.9-180-98.4000111.7K203 R204 S205 Q211 F262K203-F207 PolarHBondContact O-N 2.95Å; R204-F207 WeakPolarHBondContact O-CB 3.48Å; R204-F207 PolarHBondContact O-N 3.25Å; S205-F207 PolarHBondContact O-N 2.9Å; F207-Q211 PolarHBondContact O-NE2 2.71Å; F207-F262 HydrophobicContact CE1-CZ 4.26Å; F207-F262 HydrophobicContact CZ-CE1 4.37Å; F207-F262 HydrophobicContact CZ-CZ 4.15Å
208V90.1Very high82.3Confident28 Ų2861.1 Ų61.117%0.1732%0.32CS..Hα-helixtrans-88.5-14.9-176-61.60000113.8I144 V169 R204 S205 G210 Q211 F225 L229I144-V208 HydrophobicContact CD1-CG2 3.8Å; V169-V208 VanDerWaalsContact CB-O 3.32Å; V169-V208 WeakPolarHBondContact CB-O 3.46Å; V169-V208 HydrophobicContact CG1-CB 4.49Å; V169-V208 HydrophobicContact CG1-CG2 4.06Å; R204-V208 PolarHBondContact O-N 3.49Å; S205-V208 VanDerWaalsContact O-CG2 3.29Å; S205-V208 WeakPolarHBondContact O-CG2 3.5Å; S205-V208 PolarHBondContact O-N 2.74Å; V208-G210 PolarHBondContact O-N 2.57Å; V208-Q211 WeakPolarHBondContact O-CB 3.41Å; V208-Q211 WeakPolarHBondContact O-CG 3.15Å; V208-Q211 PolarHBondContact O-N 2.66Å; V208-Q211 VanDerWaalsContact O-N 3.11Å; V208-F225 HydrophobicContact CG2-CE2 4.06Å; V208-F225 HydrophobicContact CG2-CZ 3.92Å; V208-L229 HydrophobicContact CG2-CD2 4Å
209I90.6Very high80.4Confident34 Ų3459.9 Ų59.917%0.17431%0.313CS..THydrogen-bonded Turntrans-56130.3176.3-72.9165000110.9L138 I144 M171 S205 Q211L138-I209 HydrophobicContact CD1-CD1 4.49Å; I144-I209 HydrophobicContact CD1-CD1 4.4Å; I144-I209 HydrophobicContact CD1-CG1 3.69Å; I144-I209 HydrophobicContact CG1-CG1 4.32Å; M171-I209 HydrophobicContact CB-CD1 3.89Å; M171-I209 HydrophobicContact CB-CG1 4.32Å; M171-I209 HydrophobicContact CG-CD1 4.43Å; M171-I209 HydrophobicContact SD-CD1 4.12Å; S205-I209 WeakPolarHBondContact O-CG1 3.49Å; S205-I209 PolarHBondContact O-N 3.26Å; I209-Q211 VanDerWaalsContact C-N 3.28Å; I209-Q211 PolarHBondContact O-N 2.87Å
210G85.4Confident78.9Confident47 Ų4754.4 Ų54.449%0.48529%0.288SS..THydrogen-bonded Turntrans83.3-1.9178.300000114.5V169 V208V169-G210 PolarHBondContact O-N 2.71Å; V208-G210 PolarHBondContact O-N 2.57Å
211Q84.9Confident77.9Confident68 Ų6853.6 Ų53.632%0.31829%0.285SS..  trans-75.8140.3173.4-60.7-172.41700110.6V169 F207 V208 I209V169-Q211 PolarHBondContact N-O 2.96Å; F207-Q211 PolarHBondContact O-NE2 2.71Å; V208-Q211 WeakPolarHBondContact O-CB 3.41Å; V208-Q211 WeakPolarHBondContact O-CG 3.15Å; V208-Q211 PolarHBondContact O-N 2.66Å; V208-Q211 VanDerWaalsContact O-N 3.11Å; I209-Q211 VanDerWaalsContact C-N 3.28Å; I209-Q211 PolarHBondContact O-N 2.87Å
212E81.1Confident77.4Confident113 Ų11353.5 Ų53.553%0.52829%0.285SS..EExtended strand (participates in β ladder)trans-82.7128.7168.4-69.7-178.4-170.900109.1K166 A167K166-E212 WeakPolarHBondContact CD-OE2 3.3Å; K166-E212 IonicContact NZ-OE2 3.67Å; K166-E212 PolarHBondContact NZ-OE2 2.85Å; A167-E212 CarbonylContact O-C 3.56Å; A167-E212 WeakPolarHBondContact O-CA 3.5Å
213V70.9Confident77.1Confident40 Ų4052.4 Ų52.424%0.24228%0.279CS..EExtended strand (participates in β ladder)trans-115128.1173.1-64.20000108.4I146 A167 V169 Y215I146-V213 HydrophobicContact CD1-CG2 4.18Å; I146-V213 HydrophobicContact CG1-CG2 4.42Å; I146-V213 HydrophobicContact CG2-CG2 4.09Å; A167-V213 HydrophobicContact CB-CG2 3.99Å; A167-V213 PolarHBondContact N-O 3.19Å; A167-V213 PolarHBondContact O-N 3Å; V169-V213 HydrophobicContact CG2-CG1 4.21Å; V213-Y215 HydrophobicContact CG2-CD2 4.5Å; V213-Y215 HydrophobicContact CG2-CG 4.46Å; V213-Y215 PolarHBondContact O-N 2.95Å
214A63.9Low76.7Confident97 Ų9749 Ų4980%0.80227%0.266SS*.EExtended strand (participates in β ladder)trans-72.1116.1174.700000108
215Y51.9Low76.5Confident35 Ų3545.9 Ų45.914%0.13725%0.254CS..  trans-142.3130-163.2-135.2-131.4000116.3I146 S165 V213 N221I146-Y215 HydrophobicContact CD1-CD1 4.34Å; I146-Y215 HydrophobicContact CD1-CE1 3.69Å; I146-Y215 HydrophobicContact CG2-CD1 4.08Å; I146-Y215 HydrophobicContact CG2-CE1 4.32Å; S165-Y215 PolarHBondContact O-N 2.83Å; S165-Y215 PolarHBondContact OG-O 2.76Å; S165-Y215 VanDerWaalsContact OG-O 3.11Å; V213-Y215 HydrophobicContact CG2-CD2 4.5Å; V213-Y215 HydrophobicContact CG2-CG 4.46Å; V213-Y215 PolarHBondContact O-N 2.95Å; Y215-N221 HydrophobicContact CD1-CB 3.93Å; Y215-N221 HydrophobicContact CE1-CB 3.05Å; Y215-N221 VanDerWaalsContact CE1-ND2 3.33Å; Y215-N221 WeakPolarHBondContact CE1-ND2 3.39Å; Y215-N221 HydrophobicContact CE2-CB 4.13Å; Y215-N221 VanDerWaalsContact CE2-CG 3.42Å; Y215-N221 VanDerWaalsContact CE2-ND2 3.32Å; Y215-N221 WeakPolarHBondContact CE2-ND2 3.09Å; Y215-N221 WeakPolarHBondContact OH-CA 3.43Å; Y215-N221 WeakPolarHBondContact OH-CB 3.47Å; Y215-N221 PolarHBondContact OH-O 3.31Å; Y215-N221 PolarHBondContact OH-OD1 2.82Å; Y215-N221 VanDerWaalsContact OH-OD1 3.11Å
216N56.1Low76.5Confident76 Ų7645.9 Ų45.941%0.40625%0.254SS..  trans-72.4129.1162.6-67.1-26.7000108.7F163 L218 N221F163-N216 WeakPolarHBondContact CA-OD1 2.98Å; N216-L218 PolarHBondContact O-N 3.24Å; N216-N221 PolarHBondContact O-ND2 3.09Å
217L52Low76.5Confident37 Ų3744.3 Ų44.319%0.19425%0.247CC..  trans-72.4108-166.4-68.1153.9000113P148 V154 V162 S165P148-L217 HydrophobicContact CB-CD2 4.27Å; P148-L217 HydrophobicContact CG-CD2 3.81Å; V154-L217 HydrophobicContact CG1-CD1 3.54Å; V154-L217 HydrophobicContact CG1-CD2 3.93Å; V154-L217 HydrophobicContact CG1-CG 4.23Å; V162-L217 HydrophobicContact CG1-CB 3.97Å; V162-L217 HydrophobicContact CG1-CD1 4.48Å; V162-L217 HydrophobicContact CG2-CD1 4.42Å; S165-L217 VanDerWaalsContact OG-CD1 3.27Å; S165-L217 WeakPolarHBondContact OG-CD1 3.49Å; S165-L217 WeakPolarHBondContact OG-CG 3.36Å
218L58.2Low76.5Confident25 Ų2541.6 Ų41.613%0.13124%0.238CC..SBend74.488.8129.6-52.5170.4000117.9P148 V154 N216 C222P148-L218 HydrophobicContact CG-CD1 4.27Å; V154-L218 HydrophobicContact CG1-CD1 4.45Å; V154-L218 HydrophobicContact CG2-CD1 3.85Å; N216-L218 PolarHBondContact O-N 3.24Å; L218-C222 WeakPolarHBondContact CD2-SG 3.04Å
219V56Low76.7Confident37 Ų3740.6 Ų40.622%0.22423%0.232CC..SBend-166-69.5127.6172.90000106.5Y131 N221 C222 E223Y131-V219 HydrophobicContact CD2-CG2 4.2Å; Y131-V219 HydrophobicContact CG-CG2 4.4Å; V219-N221 PolarHBondContact O-N 3.33Å; V219-C222 PolarHBondContact O-N 3.01Å; V219-C222 VanDerWaalsContact O-N 3.14Å; V219-E223 PolarHBondContact O-N 2.82Å
220N64.3Low77Confident28 Ų2839.8 Ų39.815%0.1523%0.227CC..Hα-helixtrans-57.4-25.2-179.9-57.5-70.4000112.5H224 S236 Q238N220-H224 WeakPolarHBondContact O-CB 3.41Å; N220-H224 PolarHBondContact O-N 2.65Å; N220-S236 WeakPolarHBondContact O-CB 3.33Å; N220-Q238 HydrophobicContact CB-CB 4.13Å; N220-Q238 HydrophobicContact CB-CG 4.26Å; N220-Q238 VanDerWaalsContact CG-CG 3.42Å; N220-Q238 WeakPolarHBondContact ND2-CG 3.49Å; N220-Q238 PolarHBondContact ND2-NE2 3.2Å; N220-Q238 PolarHBondContact ND2-OE1 2.71Å; N220-Q238 VanDerWaalsContact ND2-OE1 3.08Å; N220-Q238 PolarHBondContact OD1-N 3.11Å
221N74.9Confident77.4Confident43 Ų4338.3 Ų38.323%0.2321%0.207CC..Hα-helixtrans-79.6-50.4-172.9-115.219000108.7Y215 N216 V219 E223 H224 F225Y215-N221 HydrophobicContact CD1-CB 3.93Å; Y215-N221 HydrophobicContact CE1-CB 3.05Å; Y215-N221 VanDerWaalsContact CE1-ND2 3.33Å; Y215-N221 WeakPolarHBondContact CE1-ND2 3.39Å; Y215-N221 HydrophobicContact CE2-CB 4.13Å; Y215-N221 VanDerWaalsContact CE2-CG 3.42Å; Y215-N221 VanDerWaalsContact CE2-ND2 3.32Å; Y215-N221 WeakPolarHBondContact CE2-ND2 3.09Å; Y215-N221 WeakPolarHBondContact OH-CA 3.43Å; Y215-N221 WeakPolarHBondContact OH-CB 3.47Å; Y215-N221 PolarHBondContact OH-O 3.31Å; Y215-N221 PolarHBondContact OH-OD1 2.82Å; Y215-N221 VanDerWaalsContact OH-OD1 3.11Å; N216-N221 PolarHBondContact O-ND2 3.09Å; V219-N221 PolarHBondContact O-N 3.33Å; N221-E223 VanDerWaalsContact C-N 3.28Å; N221-E223 PolarHBondContact O-N 3.07Å; N221-H224 PolarHBondContact O-N 3.11Å; N221-F225 WeakPolarHBondContact O-CB 3.29Å; N221-F225 PolarHBondContact O-N 3.22Å
222C84Confident77.5Confident1 Ų136.3 Ų36.31%0.00720%0.204CC..Hα-helixtrans-60.1-39.4170-62.60000112.3W134 L218 V219 F225 V226W134-C222 HydrophobicContact CB-CB 3.95Å; L218-C222 WeakPolarHBondContact CD2-SG 3.04Å; V219-C222 PolarHBondContact O-N 3.01Å; V219-C222 VanDerWaalsContact O-N 3.14Å; C222-F225 PolarHBondContact O-N 2.88Å; C222-V226 WeakPolarHBondContact O-CG2 3.44Å; C222-V226 PolarHBondContact O-N 3.33Å; C222-V226 VanDerWaalsContact O-N 3.11Å
223E88.8Confident77.5Confident2 Ų236.5 Ų36.51%0.00921%0.205CC..Hα-helixtrans-61.3-49.5175-173.4-177.8-156.400111.6W134 K188 Y189 V219 N221 F225 V226 T227 S236 Q237W134-E223 HydrophobicContact CD2-CB 4.38Å; W134-E223 HydrophobicContact CD2-CG 4.32Å; W134-E223 HydrophobicContact CG-CB 4.01Å; W134-E223 HydrophobicContact CG-CG 4.46Å; K188-E223 WeakPolarHBondContact CE-OE1 2.81Å; K188-E223 IonicContact NZ-OE1 2.9Å; K188-E223 PolarHBondContact NZ-OE1 3.14Å; Y189-E223 HydrophobicContact CE2-CG 4.36Å; Y189-E223 WeakPolarHBondContact CE2-OE1 3.32Å; Y189-E223 PolarHBondContact OH-OE1 2.93Å; V219-E223 PolarHBondContact O-N 2.82Å; N221-E223 VanDerWaalsContact C-N 3.28Å; N221-E223 PolarHBondContact O-N 3.07Å; E223-F225 VanDerWaalsContact C-N 3.27Å; E223-F225 PolarHBondContact O-N 3.33Å; E223-V226 VanDerWaalsContact O-CG2 3.31Å; E223-V226 WeakPolarHBondContact O-CG2 3.32Å; E223-V226 PolarHBondContact O-N 3.4Å; E223-T227 HydrophobicContact CG-CG2 4.44Å; E223-T227 WeakPolarHBondContact O-CB 3.35Å; E223-T227 VanDerWaalsContact O-CG2 3.24Å; E223-T227 WeakPolarHBondContact O-CG2 3.19Å; E223-T227 PolarHBondContact O-N 2.81Å; E223-T227 PolarHBondContact O-OG1 2.63Å; E223-S236 WeakPolarHBondContact OE2-CA 3.33Å; E223-Q237 PolarHBondContact OE2-N 2.74Å; E223-Q237 VanDerWaalsContact OE2-N 3.11Å
224H86.6Confident77.7Confident69 Ų6935.6 Ų35.632%0.31920%0.203SC..Hα-helixtrans-59.1-38.8177.6-176.489.5000111.9N220 N221 T227 L228 G234 V235N220-H224 WeakPolarHBondContact O-CB 3.41Å; N220-H224 PolarHBondContact O-N 2.65Å; N221-H224 PolarHBondContact O-N 3.11Å; H224-T227 VanDerWaalsContact CA-OG1 3.3Å; H224-T227 WeakPolarHBondContact CA-OG1 3.36Å; H224-T227 PolarHBondContact O-OG1 3.44Å; H224-L228 VanDerWaalsContact O-CB 3.22Å; H224-L228 WeakPolarHBondContact O-CB 3.23Å; H224-L228 PolarHBondContact O-N 2.8Å; H224-G234 VanDerWaalsContact CE1-C 3.46Å; H224-G234 VanDerWaalsContact CE1-CA 3.43Å; H224-G234 WeakPolarHBondContact CE1-CA 3.35Å; H224-G234 PolarHBondContact CE1-O 3.29Å; H224-G234 WeakPolarHBondContact ND1-CA 3.48Å; H224-G234 PolarHBondContact ND1-O 3.4Å; H224-G234 WeakPolarHBondContact O-CA 3.47Å; H224-V235 WeakPolarHBondContact CA-O 3.43Å
225F89.5Confident78.2Confident18 Ų1831.2 Ų31.28%0.07917%0.166CC..Hα-helixtrans-65.7-48.8177.6172.1-103.4000112.7I144 I146 V169 V208 N221 C222 E223 T227 L228 L229I144-F225 HydrophobicContact CD1-CE1 4.36Å; I144-F225 HydrophobicContact CD1-CZ 4Å; I144-F225 HydrophobicContact CG1-CE1 4.08Å; I144-F225 HydrophobicContact CG1-CZ 4.15Å; I146-F225 HydrophobicContact CD1-CB 3.44Å; I146-F225 VanDerWaalsContact CD1-CB 3.44Å; I146-F225 HydrophobicContact CD1-CD1 4.01Å; I146-F225 HydrophobicContact CD1-CD2 3.77Å; I146-F225 HydrophobicContact CD1-CG 3.45Å; I146-F225 VanDerWaalsContact CD1-CG 3.45Å; I146-F225 HydrophobicContact CG1-CB 4.18Å; I146-F225 HydrophobicContact CG1-CD1 3.78Å; I146-F225 HydrophobicContact CG1-CD2 4.09Å; I146-F225 HydrophobicContact CG1-CE1 4.16Å; I146-F225 HydrophobicContact CG1-CE2 4.45Å; I146-F225 HydrophobicContact CG1-CG 3.73Å; I146-F225 HydrophobicContact CG1-CZ 4.48Å; V169-F225 HydrophobicContact CB-CZ 4.42Å; V169-F225 HydrophobicContact CG1-CE1 4.26Å; V169-F225 HydrophobicContact CG1-CE2 4.23Å; V169-F225 HydrophobicContact CG1-CZ 3.51Å; V169-F225 HydrophobicContact CG2-CE2 3.96Å; V169-F225 HydrophobicContact CG2-CZ 4.01Å; V208-F225 HydrophobicContact CG2-CE2 4.06Å; V208-F225 HydrophobicContact CG2-CZ 3.92Å; N221-F225 WeakPolarHBondContact O-CB 3.29Å; N221-F225 PolarHBondContact O-N 3.22Å; C222-F225 PolarHBondContact O-N 2.88Å; E223-F225 VanDerWaalsContact C-N 3.27Å; E223-F225 PolarHBondContact O-N 3.33Å; F225-T227 VanDerWaalsContact C-N 3.33Å; F225-T227 PolarHBondContact O-N 2.58Å; F225-L228 WeakPolarHBondContact O-CB 3.34Å; F225-L228 PolarHBondContact O-N 2.77Å; F225-L229 HydrophobicContact CD1-CD1 4.27Å; F225-L229 HydrophobicContact CE1-CD1 3.6Å; F225-L229 HydrophobicContact CE2-CD1 4.15Å; F225-L229 HydrophobicContact CE2-CG 4.46Å; F225-L229 HydrophobicContact CZ-CD1 3.54Å; F225-L229 HydrophobicContact CZ-CG 4.32Å; F225-L229 WeakPolarHBondContact O-CG 2.87Å; F225-L229 PolarHBondContact O-N 2.86Å
226V93Very high79.1Confident0 Ų029.9 Ų29.90%016%0.162CC..Hα-helixtrans-71.6-31.3-177.1-60.60000112.2L123 W134 L136 C222 E223 L229 R230L123-V226 HydrophobicContact CD2-CB 3.87Å; L123-V226 HydrophobicContact CD2-CG2 3.86Å; W134-V226 HydrophobicContact CB-CG1 4.47Å; W134-V226 HydrophobicContact CB-CG2 3.93Å; W134-V226 HydrophobicContact CE3-CG2 4.21Å; L136-V226 HydrophobicContact CB-CB 4.13Å; L136-V226 HydrophobicContact CB-CG1 4.07Å; C222-V226 WeakPolarHBondContact O-CG2 3.44Å; C222-V226 PolarHBondContact O-N 3.33Å; C222-V226 VanDerWaalsContact O-N 3.11Å; E223-V226 VanDerWaalsContact O-CG2 3.31Å; E223-V226 WeakPolarHBondContact O-CG2 3.32Å; E223-V226 PolarHBondContact O-N 3.4Å; V226-L229 PolarHBondContact O-N 3.33Å; V226-R230 PolarHBondContact O-N 2.94Å
227T92.1Very high79.6Confident0 Ų030.6 Ų30.60%016%0.163CC..Hα-helixtrans-70.8-38.7173.651.60000111.5L123 Y189 E223 H224 F225 L229 R230 Y231 E233 V235L123-T227 HydrophobicContact CD1-CG2 4.28Å; Y189-T227 HydrophobicContact CD2-CG2 3.67Å; Y189-T227 HydrophobicContact CE2-CG2 3.74Å; E223-T227 HydrophobicContact CG-CG2 4.44Å; E223-T227 WeakPolarHBondContact O-CB 3.35Å; E223-T227 VanDerWaalsContact O-CG2 3.24Å; E223-T227 WeakPolarHBondContact O-CG2 3.19Å; E223-T227 PolarHBondContact O-N 2.81Å; E223-T227 PolarHBondContact O-OG1 2.63Å; H224-T227 VanDerWaalsContact CA-OG1 3.3Å; H224-T227 WeakPolarHBondContact CA-OG1 3.36Å; H224-T227 PolarHBondContact O-OG1 3.44Å; F225-T227 VanDerWaalsContact C-N 3.33Å; F225-T227 PolarHBondContact O-N 2.58Å; T227-L229 PolarHBondContact O-N 3.08Å; T227-R230 PolarHBondContact O-N 2.9Å; T227-Y231 HydrophobicContact CG2-CD2 4.19Å; T227-Y231 HydrophobicContact CG2-CE2 4Å; T227-Y231 WeakPolarHBondContact O-CD2 3.2Å; T227-Y231 PolarHBondContact O-N 3.26Å; T227-E233 CarbonylContact C-O 3.55Å; T227-E233 VanDerWaalsContact C-O 3.24Å; T227-V235 HydrophobicContact CG2-CB 4.39Å; T227-V235 PolarHBondContact OG1-N 3.4Å; T227-V235 PolarHBondContact OG1-O 2.95Å
228L91.9Very high79.9Confident76 Ų7634.7 Ų34.740%0.39818%0.181SC..Hα-helixtrans-57.5-37.3172-178.368.1000111.8H224 F225 G232 E233H224-L228 VanDerWaalsContact O-CB 3.22Å; H224-L228 WeakPolarHBondContact O-CB 3.23Å; H224-L228 PolarHBondContact O-N 2.8Å; F225-L228 WeakPolarHBondContact O-CB 3.34Å; F225-L228 PolarHBondContact O-N 2.77Å; L228-G232 WeakPolarHBondContact O-CA 3.27Å; L228-G232 PolarHBondContact O-N 3.13Å; L228-G232 VanDerWaalsContact O-N 3.13Å; L228-E233 PolarHBondContact N-O 3.48Å
229L93.9Very high79.9Confident7 Ų735.2 Ų35.24%0.03719%0.189CC..Hα-helixtrans-72.5-43.5175.9-67.7176.6000112.8L136 I144 R204 V208 F225 V226 T227L136-L229 HydrophobicContact CD1-CB 3.87Å; I144-L229 HydrophobicContact CD1-CD1 4.16Å; I144-L229 HydrophobicContact CG2-CD1 3.87Å; R204-L229 HydrophobicContact CB-CD2 3.98Å; V208-L229 HydrophobicContact CG2-CD2 4Å; F225-L229 HydrophobicContact CD1-CD1 4.27Å; F225-L229 HydrophobicContact CE1-CD1 3.6Å; F225-L229 HydrophobicContact CE2-CD1 4.15Å; F225-L229 HydrophobicContact CE2-CG 4.46Å; F225-L229 HydrophobicContact CZ-CD1 3.54Å; F225-L229 HydrophobicContact CZ-CG 4.32Å; F225-L229 WeakPolarHBondContact O-CG 2.87Å; F225-L229 PolarHBondContact O-N 2.86Å; V226-L229 PolarHBondContact O-N 3.33Å; T227-L229 PolarHBondContact O-N 3.08Å
230R96.9Very high80Confident17 Ų1736.4 Ų36.46%0.06419%0.194CC..Hα-helixtrans-76-44.6-176-179.3172.8176.995.20.4113.5G121 D122 L123 L136 N187 D190 P195 L196 I201 V226 T227G121-R230 PolarHBondContact O-NH1 3.11Å; D122-R230 IonicContact OD1-NH1 3.43Å; L123-R230 HydrophobicContact CD2-CB 4.08Å; L136-R230 HydrophobicContact CD1-CB 4.04Å; N187-R230 PolarHBondContact ND2-NH2 3.06Å; D190-R230 IonicContact OD1-CZ 2.71Å; D190-R230 VanDerWaalsContact OD1-CZ 3.29Å; D190-R230 IonicContact OD1-NE 2.66Å; D190-R230 PolarHBondContact OD1-NE 3.27Å; D190-R230 IonicContact OD1-NH2 2.71Å; D190-R230 PolarHBondContact OD1-NH2 2.83Å; D190-R230 IonicContact OD2-CZ 3.86Å; D190-R230 IonicContact OD2-NH2 3.12Å; D190-R230 PolarHBondContact OD2-NH2 3.41Å; P195-R230 HydrophobicContact CB-CG 4.1Å; L196-R230 WeakPolarHBondContact CB-O 3.45Å; L196-R230 VanDerWaalsContact CG-O 3.31Å; L196-R230 WeakPolarHBondContact CG-O 3.31Å; L196-R230 PolarHBondContact N-O 3.27Å; I201-R230 HydrophobicContact CD1-CB 4.43Å; I201-R230 HydrophobicContact CD1-CG 4.03Å; V226-R230 PolarHBondContact O-N 2.94Å; T227-R230 PolarHBondContact O-N 2.9Å
231Y93.9Very high79.6Confident16 Ų1642.6 Ų42.66%0.06322%0.216CC..Hα-helixtrans-105.9-14.2-172.1-53.1-69.3000112.8L123 Y189 D190 Y193 P195 T227 E233L123-Y231 HydrophobicContact CD1-CE2 4.12Å; Y189-Y231 HydrophobicContact CD2-CE2 4.21Å; Y189-Y231 HydrophobicContact CG-CE2 4.39Å; D190-Y231 PolarHBondContact N-OH 3.14Å; D190-Y231 VanDerWaalsContact OD1-CE1 3.27Å; D190-Y231 WeakPolarHBondContact OD1-CE1 3.37Å; D190-Y231 PolarHBondContact OD1-OH 3.41Å; Y193-Y231 VanDerWaalsContact O-CD1 3.23Å; Y193-Y231 WeakPolarHBondContact O-CD1 3.4Å; Y193-Y231 WeakPolarHBondContact O-CE1 3.33Å; P195-Y231 HydrophobicContact CB-CD1 4.36Å; P195-Y231 HydrophobicContact CB-CE1 4.18Å; T227-Y231 HydrophobicContact CG2-CD2 4.19Å; T227-Y231 HydrophobicContact CG2-CE2 4Å; T227-Y231 WeakPolarHBondContact O-CD2 3.2Å; T227-Y231 PolarHBondContact O-N 3.26Å; Y231-E233 PolarHBondContact O-N 2.94Å
232G88.1Confident78.5Confident25 Ų2543.4 Ų43.426%0.25823%0.228SC..SBendtrans81.5-5.9-171.900000114.3L228L228-G232 WeakPolarHBondContact O-CA 3.27Å; L228-G232 PolarHBondContact O-N 3.13Å; L228-G232 VanDerWaalsContact O-N 3.13Å
233E79.9Confident77Confident118 Ų11849.1 Ų49.155%0.55126%0.257SS*.SBendtrans-127.2131.6173.5-64.1-173.1173.300109.1T227 L228 Y231 V235T227-E233 CarbonylContact C-O 3.55Å; T227-E233 VanDerWaalsContact C-O 3.24Å; L228-E233 PolarHBondContact N-O 3.48Å; Y231-E233 PolarHBondContact O-N 2.94Å; E233-V235 PolarHBondContact O-N 3.09Å
234G76.5Confident74.8Confident20 Ų2053.1 Ų53.121%0.20629%0.286CS..  trans-80.2114.8178.900000110.9H224H224-G234 VanDerWaalsContact CE1-C 3.46Å; H224-G234 VanDerWaalsContact CE1-CA 3.43Å; H224-G234 WeakPolarHBondContact CE1-CA 3.35Å; H224-G234 PolarHBondContact CE1-O 3.29Å; H224-G234 WeakPolarHBondContact ND1-CA 3.48Å; H224-G234 PolarHBondContact ND1-O 3.4Å; H224-G234 WeakPolarHBondContact O-CA 3.47Å
235V73.4Confident72.6Confident5 Ų555.7 Ų55.73%0.0331%0.306CS..  trans-114.3137179.8-175.90000109.2Y189 Y193 H224 T227 E233Y189-V235 HydrophobicContact CD1-CG1 4Å; Y189-V235 HydrophobicContact CE1-CG1 3.61Å; Y189-V235 HydrophobicContact CE2-CG1 4.35Å; Y193-V235 HydrophobicContact CD2-CG2 4.18Å; Y193-V235 HydrophobicContact CE1-CG2 4.12Å; Y193-V235 HydrophobicContact CE2-CG1 4.24Å; Y193-V235 HydrophobicContact CE2-CG2 3.74Å; H224-V235 WeakPolarHBondContact CA-O 3.43Å; T227-V235 HydrophobicContact CG2-CB 4.39Å; T227-V235 PolarHBondContact OG1-N 3.4Å; T227-V235 PolarHBondContact OG1-O 2.95Å; E233-V235 PolarHBondContact O-N 3.09Å
236S71.5Confident70.4Confident7 Ų759.6 Ų59.65%0.04933%0.331CS..  trans-148159.9172.871.30000111.9N220 E223 Q238 A239 N240N220-S236 WeakPolarHBondContact O-CB 3.33Å; E223-S236 WeakPolarHBondContact OE2-CA 3.33Å; S236-Q238 PolarHBondContact O-N 2.92Å; S236-A239 PolarHBondContact O-N 2.97Å; S236-A239 VanDerWaalsContact O-N 3.13Å; S236-A239 PolarHBondContact OG-N 3.23Å; S236-N240 PolarHBondContact O-N 3.07Å
237Q65.8Low67.7Low92 Ų9262.2 Ų62.243%0.4336%0.358SS..Hα-helixtrans-58-35.7177.7-78.3-164.154.300113.1E223 R241E223-Q237 PolarHBondContact OE2-N 2.74Å; E223-Q237 VanDerWaalsContact OE2-N 3.11Å; Q237-R241 WeakPolarHBondContact O-CB 3.33Å; Q237-R241 WeakPolarHBondContact O-CG 3.44Å; Q237-R241 PolarHBondContact O-N 3.31Å
238Q58.6Low65.4Low123 Ų12372 Ų7258%0.57540%0.401SS*.Hα-helixtrans-68-42.8174.9-86.2177.9-4.500112.7N220 S236 N240 R241 A242N220-Q238 HydrophobicContact CB-CB 4.13Å; N220-Q238 HydrophobicContact CB-CG 4.26Å; N220-Q238 VanDerWaalsContact CG-CG 3.42Å; N220-Q238 WeakPolarHBondContact ND2-CG 3.49Å; N220-Q238 PolarHBondContact ND2-NE2 3.2Å; N220-Q238 PolarHBondContact ND2-OE1 2.71Å; N220-Q238 VanDerWaalsContact ND2-OE1 3.08Å; N220-Q238 PolarHBondContact OD1-N 3.11Å; S236-Q238 PolarHBondContact O-N 2.92Å; Q238-N240 VanDerWaalsContact C-N 3.32Å; Q238-N240 PolarHBondContact O-N 3.44Å; Q238-R241 PolarHBondContact O-N 3.44Å; Q238-A242 WeakPolarHBondContact O-CB 3.38Å; Q238-A242 PolarHBondContact O-N 3Å
239A57.3Low62.9Low35 Ų3574.4 Ų74.429%0.28942%0.419SS..Hα-helixtrans-61.1-43.5176.100000110.9S236 A242 I243S236-A239 PolarHBondContact O-N 2.97Å; S236-A239 VanDerWaalsContact O-N 3.13Å; S236-A239 PolarHBondContact OG-N 3.23Å; A239-A242 PolarHBondContact O-N 2.93Å; A239-I243 VanDerWaalsContact O-CG1 3.32Å; A239-I243 WeakPolarHBondContact O-CG1 3.19Å; A239-I243 PolarHBondContact O-N 3.5Å; A239-I243 VanDerWaalsContact O-N 3.09Å
240N58.9Low60.5Low62 Ų6280.5 Ų80.533%0.33246%0.457SS..Hα-helixtrans-68-39.1177.8-70.5-0.7000112.4S236 Q238 I243 S244S236-N240 PolarHBondContact O-N 3.07Å; Q238-N240 VanDerWaalsContact C-N 3.32Å; Q238-N240 PolarHBondContact O-N 3.44Å; N240-I243 PolarHBondContact O-N 2.82Å; N240-S244 WeakPolarHBondContact O-CB 3.39Å; N240-S244 PolarHBondContact O-N 3.44Å; N240-S244 PolarHBondContact O-OG 3.11Å
241R56.1Low57.8Low159 Ų15984.3 Ų84.360%0.649%0.491SS*.Hα-helixtrans-63.4-43.6175.1-76.7174.2-169-119.84.2111.6Q237 Q238 I243 S244 T245Q237-R241 WeakPolarHBondContact O-CB 3.33Å; Q237-R241 WeakPolarHBondContact O-CG 3.44Å; Q237-R241 PolarHBondContact O-N 3.31Å; Q238-R241 PolarHBondContact O-N 3.44Å; R241-I243 VanDerWaalsContact C-N 3.33Å; R241-I243 PolarHBondContact O-N 3.24Å; R241-S244 WeakPolarHBondContact CA-OG 3.29Å; R241-S244 PolarHBondContact O-N 3.37Å; R241-S244 PolarHBondContact O-OG 3.2Å; R241-T245 PolarHBondContact O-N 2.91Å; R241-T245 PolarHBondContact O-OG1 2.89Å
242A52Low55.6Low60 Ų6088.1 Ų88.150%0.49653%0.527SS..Hα-helixtrans-60.2-42.4176.600000111.9Q238 A239 T245 V246Q238-A242 WeakPolarHBondContact O-CB 3.38Å; Q238-A242 PolarHBondContact O-N 3Å; A239-A242 PolarHBondContact O-N 2.93Å; A242-T245 PolarHBondContact O-N 3.34Å; A242-V246 WeakPolarHBondContact O-CG2 3.5Å; A242-V246 PolarHBondContact O-N 2.93Å
243I51.6Low53.3Low121 Ų12193.6 Ų93.662%0.62155%0.554SS**Hα-helixtrans-67.1-41.3175.9-64.4164.2000111.2A239 N240 R241 T245 V246A239-I243 VanDerWaalsContact O-CG1 3.32Å; A239-I243 WeakPolarHBondContact O-CG1 3.19Å; A239-I243 PolarHBondContact O-N 3.5Å; A239-I243 VanDerWaalsContact O-N 3.09Å; N240-I243 PolarHBondContact O-N 2.82Å; R241-I243 VanDerWaalsContact C-N 3.33Å; R241-I243 PolarHBondContact O-N 3.24Å; I243-T245 VanDerWaalsContact C-N 3.34Å; I243-T245 PolarHBondContact O-N 3.4Å; I243-V246 CarbonylContact O-C 3.24Å; I243-V246 VanDerWaalsContact O-C 3.24Å; I243-V246 WeakPolarHBondContact O-CA 3.29Å; I243-V246 PolarHBondContact O-N 3.08Å; I243-V246 VanDerWaalsContact O-N 3.11Å
244S43.6Very low51.7Low86 Ų8691.1 Ų91.160%0.60156%0.561SS**Hα-helixtrans-67.8-30.3178.769.20000113.8N240 R241 V246 G247N240-S244 WeakPolarHBondContact O-CB 3.39Å; N240-S244 PolarHBondContact O-N 3.44Å; N240-S244 PolarHBondContact O-OG 3.11Å; R241-S244 WeakPolarHBondContact CA-OG 3.29Å; R241-S244 PolarHBondContact O-N 3.37Å; R241-S244 PolarHBondContact O-OG 3.2Å; S244-V246 VanDerWaalsContact C-N 3.3Å; S244-G247 PolarHBondContact O-N 3.46Å
245T40.9Very low50.1Low123 Ų12394.4 Ų94.476%0.75559%0.586SS**Hα-helixtrans-76.4-21.1173.5-53.90000111.6R241 A242 I243 G247R241-T245 PolarHBondContact O-N 2.91Å; R241-T245 PolarHBondContact O-OG1 2.89Å; A242-T245 PolarHBondContact O-N 3.34Å; I243-T245 VanDerWaalsContact C-N 3.34Å; I243-T245 PolarHBondContact O-N 3.4Å; T245-G247 VanDerWaalsContact C-N 3.27Å; T245-G247 PolarHBondContact O-N 2.92Å
246V42Very low48.9Very low100 Ų100104.3 Ų104.361%0.60663%0.629SS**THydrogen-bonded Turntrans-96.742.4170.4-1720000109.8A242 I243 S244 F248A242-V246 WeakPolarHBondContact O-CG2 3.5Å; A242-V246 PolarHBondContact O-N 2.93Å; I243-V246 CarbonylContact O-C 3.24Å; I243-V246 VanDerWaalsContact O-C 3.24Å; I243-V246 WeakPolarHBondContact O-CA 3.29Å; I243-V246 PolarHBondContact O-N 3.08Å; I243-V246 VanDerWaalsContact O-N 3.11Å; S244-V246 VanDerWaalsContact C-N 3.3Å; V246-F248 PolarHBondContact O-N 3.03Å
247G37.3Very low47.2Very low55 Ų55108.3 Ų108.357%0.56766%0.657SS**THydrogen-bonded Turntrans-66.5114.4166.100000110.2S244 T245S244-G247 PolarHBondContact O-N 3.46Å; T245-G247 VanDerWaalsContact C-N 3.27Å; T245-G247 PolarHBondContact O-N 2.92Å
248F43.6Very low46.2Very low204 Ų204113.4 Ų113.490%0.89568%0.678SS**THydrogen-bonded Turntrans90.855.2178.2-65.8-78.7000119.2V246V246-F248 PolarHBondContact O-N 3.03Å
249V40Very low45.5Very low128 Ų128115.4 Ų115.478%0.77669%0.692SS**  trans-135.5106.2140.6-170.30000110.8
250T42.7Very low44.5Very low135 Ų135117.1 Ų117.183%0.82871%0.713SS**  trans-64.7131.4170.4-39.60000110.8
251A40.8Very low43.6Very low96 Ų96121.5 Ų121.579%0.79374%0.736SS**  trans-177.1130137.500000111.1
252A47.2Very low43.2Very low97 Ų97120.8 Ų120.880%0.80274%0.737SS**  trans-60.2139.417500000113.1
253V39.8Very low42.4Very low139 Ų139123.9 Ų123.984%0.84275%0.752SS**  trans-152115.8143.8177.80000108.6
254G45.6Very low41.7Very low66 Ų66127.7 Ų127.768%0.6876%0.764SS**  trans-75.2166.8164.300000112.3
255A43.6Very low41.6Very low90 Ų90134.9 Ų134.974%0.74478%0.778SS**  trans81.283.3177.100000116.4S257A255-S257 PolarHBondContact O-N 3.24Å
256F47.7Very low41.5Very low212 Ų212137.6 Ų137.693%0.9378%0.782SS**  trans-77.8100.2154-84.5-75000109.9
257S35.6Very low41.7Very low91 Ų91143.8 Ų143.864%0.63680%0.795SS**  trans-67.7135.2175.3-65.10000111.4A255 L259A255-S257 PolarHBondContact O-N 3.24Å; S257-L259 PolarHBondContact O-N 2.71Å
258F44.8Very low41.8Very low200 Ų200147 Ų14788%0.87780%0.803SS**SBendtrans-68.130.4173.5-102.4-81.3000114.9
259L43.5Very low41.8Very low165 Ų165145.5 Ų145.586%0.86480%0.797SS**  trans-107.695.6179.6-90.787.1000111S257S257-L259 PolarHBondContact O-N 2.71Å
260G38Very low42Very low71 Ų71150 Ų15073%0.73280%0.801SS**SBendtrans172.1-10.1166.800000118.1
261L40.2Very low42.5Very low154 Ų154157.1 Ų157.181%0.80682%0.815SS**  trans-125.956.9-170.9-71.8171000114
262F45.8Very low42.6Very low143 Ų143160.2 Ų160.263%0.62782%0.816SS**  trans-144.2106.7159-65-70.2000110.7F207 K264F207-F262 HydrophobicContact CE1-CZ 4.26Å; F207-F262 HydrophobicContact CZ-CE1 4.37Å; F207-F262 HydrophobicContact CZ-CZ 4.15Å; F262-K264 PolarHBondContact O-N 3.38Å
263P37.1Very low42.3Very low126 Ų126163.5 Ų163.582%0.81882%0.817SS**  trans-64.4124.5167.723.2-27.9000109.4R265P263-R265 PolarHBondContact O-N 3.43Å; P263-R265 VanDerWaalsContact O-N 3.12Å
264K36.1Very low42.5Very low200 Ų200164.9 Ų164.987%0.8782%0.815SS**  trans-51.3118.2170.4-90.4179.5175.8173.90109F262 Q266F262-K264 PolarHBondContact O-N 3.38Å; K264-Q266 PolarHBondContact O-N 3.08Å
265R40.8Very low42.3Very low237 Ų237170.7 Ų170.789%0.89482%0.823SS**  trans-57.498.4167.3-172.6178.4-174.5176.12.4109P263 R267P263-R265 PolarHBondContact O-N 3.43Å; P263-R265 VanDerWaalsContact O-N 3.12Å; R265-R267 PolarHBondContact O-N 3.06Å
266Q39.2Very low42.2Very low180 Ų180175.8 Ų175.884%0.84183%0.828SS**  trans-68.1112.3166.3-76-117.3-27.900107.9K264 T268K264-Q266 PolarHBondContact O-N 3.08Å; Q266-T268 PolarHBondContact O-N 2.78Å
267R45.9Very low41.8Very low231 Ų231173.3 Ų173.387%0.87282%0.822SS**  trans-66.4112.3166.4-101.8-174.4173.5174.1-1.5107.7R265 K269R265-R267 PolarHBondContact O-N 3.06Å; R267-K269 PolarHBondContact O-N 2.93Å
268T39.2Very low42.3Very low121 Ų121179.2 Ų179.274%0.74284%0.835SS**  trans-64115.1165.6-35.70000108.4Q266Q266-T268 PolarHBondContact O-N 2.78Å
269K44.8Very low42.1Very low173 Ų173177.6 Ų177.675%0.75283%0.832SS**  trans-80.8122.4164.1-74.7-175.8177.4-179.80107.3R267R267-K269 PolarHBondContact O-N 2.93Å
270Y43.2Very low42Very low222 Ų222178.7 Ų178.787%0.87183%0.829SS**  trans-74.3127.9161.4-76.1-89.6000107.5
271Y53.3Low42.3Very low286 Ų286188.5 Ų188.5100%1.12284%0.838SS**  trans-1000157.5-89.3-76000107.9

Retrieved 271 of 271 residues in 369.5 ms (Link to these results)