A0A096NGN4_PAPAN Loading...

Doublecortin

AlphaFold DB (A0A3Q2LG97), UniProt , Accession A0A096NGN4, Species PAPAN (Papio anubis, Olive baboon), Gene DCX, Length 365 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M47.8Very low39.1Very low243 Ų243167.7 Ų167.7100%1.19783%0.828SS**  0900174.1-177-80.100105
2E33.1Very low39.1Very low195 Ų195164.8 Ų164.891%0.91182%0.818SS**  trans-156.1172.4-173-141.4166.1149.700108.4
3L40.7Very low39.1Very low167 Ų167168 Ų16887%0.87482%0.824SS**  trans-103.2-176.9-163.9-73.6163.8000113.4
4D32.1Very low39Very low142 Ų142165.2 Ų165.276%0.75982%0.822SS**  trans103.9170148.4-13477.7000119
5F38.8Very low38.9Very low191 Ų191162.3 Ų162.384%0.83882%0.824SS**  trans-94140.6-142.7-79.1-108.2000115.2
6G33.6Very low39.2Very low83 Ų83167.1 Ų167.186%0.85683%0.829SS**  trans-10498.4166.100000112
7H48.2Very low39.1Very low160 Ų160167.2 Ų167.274%0.74183%0.833SS**  trans-84.2133170.1166.680.4000110.4
8F35.5Very low38.9Very low193 Ų193167.3 Ų167.385%0.84683%0.833SS**  trans-147124.5163.3-157.3-97.7000110.3
9D44.1Very low39Very low121 Ų121172 Ų17265%0.64784%0.84SS**  trans-94.8-171.6177.1-148.3-66.1000110.3
10E38.3Very low38.9Very low131 Ų131167.5 Ų167.561%0.61284%0.84SS**  trans63.6110162.9-163.9179136.400116.9
11R37.5Very low39.2Very low219 Ų219165.3 Ų165.383%0.82684%0.841SS**  -166.5141.589.7-148.8152.4-159.1150.113.4115.3
12D39Very low39.2Very low132 Ų132164.8 Ų164.871%0.70683%0.825SS**  trans-64.2138.3176.1-142.8-52.5000113.2
13K39Very low39.7Very low207 Ų207163.6 Ų163.690%0.982%0.822SS**  trans-157.6125.4145.8-121.4162.2-171.4170.20113.4
14T38.2Very low40.2Very low129 Ų129163.6 Ų163.679%0.79182%0.823SS**  trans-78.4133.2-176.742.80000113
15S38.3Very low40.5Very low122 Ų122160 Ų16085%0.85382%0.819SS**  trans-151.8141.8146.6-169.20000110.1
16R43.8Very low41.2Very low238 Ų238158.2 Ų158.290%0.89882%0.818SS**  trans-105.3132.4-179.2-57.4172.5-174.3141.50.5108.7
17N36.5Very low42Very low169 Ų169160 Ų16090%0.90481%0.814SS**  trans-150.3149.2143.8-140.3-10.6000113.4
18M35.1Very low41.8Very low169 Ų169157.1 Ų157.183%0.83381%0.812SS**  trans-96.1134.8-173.5-77.9-82.5-166.100112.1
19R40.6Very low42.7Very low257 Ų257153.2 Ų153.297%0.9781%0.806SS**  -168.5138.4126.5-100.6152.7-170.2-159.11.4110
20G37.1Very low43Very low81 Ų81153.7 Ų153.784%0.83581%0.813SS**  trans-91.5139.5-161.700000114.9
21S45.6Very low43.6Very low122 Ų122156.8 Ų156.885%0.85383%0.827SS**  trans-93.2113.1162.1-1770000109.9
22R47.1Very low44.2Very low232 Ų232149.7 Ų149.788%0.87581%0.812SS**  trans-152.688.1171.5-78.3-166.5177.1179.8-0.8111.8
23M45.4Very low44.8Very low170 Ų170146.7 Ų146.784%0.83781%0.805SS**  -177.4127.3123.652.1-176.272.400111.9G25M23-G25 VanDerWaalsContact C-N 3.35Å; M23-G25 PolarHBondContact O-N 3.16Å; M23-G25 VanDerWaalsContact O-N 3.13Å
24N49.4Very low45.4Very low168 Ų168142.6 Ų142.690%0.89879%0.789SS**  trans-76.493.1157.7-75.98.5000107.3L26N24-L26 PolarHBondContact O-N 3.38Å
25G39.1Very low45.9Very low66 Ų66139.6 Ų139.668%0.6877%0.773SS**  trans-68.989.6176.500000111.3M23M23-G25 VanDerWaalsContact C-N 3.35Å; M23-G25 PolarHBondContact O-N 3.16Å; M23-G25 VanDerWaalsContact O-N 3.13Å
26L54.5Low46.7Very low154 Ų154136.9 Ų136.981%0.80675%0.754SS**  trans-56.8134.8164.2-73170.1000108.8N24 S28N24-L26 PolarHBondContact O-N 3.38Å; L26-S28 PolarHBondContact O-N 2.99Å
27P49Very low47.1Very low119 Ų119132.4 Ų132.477%0.77374%0.741SS**  trans-65.5111.4178.226-33.1000109.9
28S45.2Very low47.9Very low101 Ų101131.3 Ų131.371%0.70673%0.725SS**  trans-52.5127.1174.6-58.20000110.5L26 T30L26-S28 PolarHBondContact O-N 2.99Å; S28-T30 PolarHBondContact O-N 2.95Å
29P53.4Low48.7Very low111 Ų111131.5 Ų131.572%0.72172%0.717SS**  trans-62.2101.2176.9-25.735.8000111.7
30T51.4Low49.6Very low131 Ų131123.2 Ų123.280%0.80469%0.694SS**  trans-60.3142.8179.5-51.90000111S28 S32S28-T30 PolarHBondContact O-N 2.95Å; T30-S32 PolarHBondContact O-N 3.25Å
31H51.3Low50.7Low195 Ų195127.9 Ų127.990%0.90369%0.687SS**SBendtrans-56.599-166.7-170.5-93000114.2
32S48.6Very low51.5Low71 Ų71125.8 Ų125.850%0.49767%0.669SS.*  trans-143.3136.1172.6175.50000111.2T30 H34 C35T30-S32 PolarHBondContact O-N 3.25Å; S32-H34 PolarHBondContact O-N 3.34Å; S32-C35 PolarHBondContact O-N 2.64Å
33A51.6Low51.9Low69 Ų69119.4 Ų119.457%0.5765%0.652SS**THydrogen-bonded Turntrans-62.8-11.1-175.600000114.4S36 F37A33-S36 PolarHBondContact O-OG 2.99Å; A33-F37 VanDerWaalsContact O-CD2 3.24Å; A33-F37 WeakPolarHBondContact O-CD2 3.37Å
34H51.2Low52.7Low120 Ų120117.7 Ų117.756%0.55664%0.642SS**Hα-helixtrans-69-32174.6-87.369.7000113.6S32 S36 F37 Y38S32-H34 PolarHBondContact O-N 3.34Å; H34-S36 VanDerWaalsContact C-N 3.27Å; H34-S36 PolarHBondContact O-N 2.82Å; H34-F37 PolarHBondContact O-N 2.79Å; H34-F37 VanDerWaalsContact O-N 3.13Å; H34-Y38 HydrophobicContact CB-CE2 4.46Å; H34-Y38 WeakPolarHBondContact O-CD2 3.19Å; H34-Y38 PolarHBondContact O-N 3.31Å
35C49.1Very low53.1Low67 Ų67112.5 Ų112.545%0.45362%0.622SS.*Hα-helixtrans-60.4-39-177.4-173.20000111.8S32 F37 R39S32-C35 PolarHBondContact O-N 2.64Å; C35-F37 PolarHBondContact O-N 2.85Å; C35-R39 WeakPolarHBondContact O-CB 3.38Å; C35-R39 PolarHBondContact O-N 3.19Å
36S55.1Low54Low65 Ų65113.8 Ų113.846%0.45561%0.613SS.*Hα-helixtrans-56.2-48.2173.79.50000112.8A33 H34 R39 T40A33-S36 PolarHBondContact O-OG 2.99Å; H34-S36 VanDerWaalsContact C-N 3.27Å; H34-S36 PolarHBondContact O-N 2.82Å; S36-R39 PolarHBondContact O-N 3.3Å; S36-T40 WeakPolarHBondContact O-CG2 3.29Å; S36-T40 PolarHBondContact O-N 3Å; S36-T40 PolarHBondContact O-OG1 3.46Å
37F51.8Low54.1Low144 Ų144109.7 Ų109.763%0.63260%0.597SS**Hα-helixtrans-67.4-40.6-177.3-70.5-72.8000112.9A33 H34 C35 T40 R41A33-F37 VanDerWaalsContact O-CD2 3.24Å; A33-F37 WeakPolarHBondContact O-CD2 3.37Å; H34-F37 PolarHBondContact O-N 2.79Å; H34-F37 VanDerWaalsContact O-N 3.13Å; C35-F37 PolarHBondContact O-N 2.85Å; F37-T40 PolarHBondContact O-OG1 2.86Å; F37-R41 WeakPolarHBondContact O-CB 3.42Å; F37-R41 PolarHBondContact O-N 3.3Å
38Y53.3Low54.6Low145 Ų145108.5 Ų108.557%0.56958%0.584SS**Hα-helixtrans-66.5-42.5174.6-73.1-74.7000111.5H34 R41 T42H34-Y38 HydrophobicContact CB-CE2 4.46Å; H34-Y38 WeakPolarHBondContact O-CD2 3.19Å; H34-Y38 PolarHBondContact O-N 3.31Å; Y38-R41 PolarHBondContact O-N 3.03Å; Y38-T42 WeakPolarHBondContact O-CG2 3.1Å; Y38-T42 PolarHBondContact O-N 3.18Å; Y38-T42 PolarHBondContact O-OG1 3.25Å
39R53.8Low55.1Low174 Ų174110.9 Ų110.966%0.65758%0.584SS**Hα-helixtrans-67.8-40.7-179.7-172.2176.3-177.9-125.60.7113.1C35 S36 T42 L43C35-R39 WeakPolarHBondContact O-CB 3.38Å; C35-R39 PolarHBondContact O-N 3.19Å; S36-R39 PolarHBondContact O-N 3.3Å; R39-T42 PolarHBondContact O-OG1 3.24Å; R39-L43 HydrophobicContact CG-CD1 4.11Å; R39-L43 WeakPolarHBondContact O-CB 3.46Å; R39-L43 VanDerWaalsContact O-CG 3.3Å; R39-L43 WeakPolarHBondContact O-CG 3.33Å; R39-L43 PolarHBondContact O-N 2.95Å; R39-L43 VanDerWaalsContact O-N 3.14Å
40T59.3Low55.4Low82 Ų82113.7 Ų113.750%0.50359%0.585SS.*Hα-helixtrans-70.3-42.2174.954.60000111.1S36 F37 L43 Q44S36-T40 WeakPolarHBondContact O-CG2 3.29Å; S36-T40 PolarHBondContact O-N 3Å; S36-T40 PolarHBondContact O-OG1 3.46Å; F37-T40 PolarHBondContact O-OG1 2.86Å; T40-L43 PolarHBondContact O-N 2.6Å; T40-Q44 WeakPolarHBondContact O-CB 3.43Å; T40-Q44 PolarHBondContact O-N 3.34Å
41R59.2Low56.3Low180 Ų180111.3 Ų111.368%0.67956%0.563SS**Hα-helixtrans-63.9-41.4178.9-174.6178.5173.4-141.4-3.2112.8F37 Y38 A45F37-R41 WeakPolarHBondContact O-CB 3.42Å; F37-R41 PolarHBondContact O-N 3.3Å; Y38-R41 PolarHBondContact O-N 3.03Å; R41-A45 WeakPolarHBondContact O-CB 3.33Å; R41-A45 PolarHBondContact O-N 3.41Å
42T61.9Low57.8Low77 Ų77103.8 Ų103.847%0.47254%0.535SS..Hα-helixtrans-72.2-42.117753.90000112.3Y38 R39 Q44 A45 L46Y38-T42 WeakPolarHBondContact O-CG2 3.1Å; Y38-T42 PolarHBondContact O-N 3.18Å; Y38-T42 PolarHBondContact O-OG1 3.25Å; R39-T42 PolarHBondContact O-OG1 3.24Å; T42-Q44 VanDerWaalsContact C-N 3.3Å; T42-Q44 PolarHBondContact O-N 2.88Å; T42-A45 PolarHBondContact O-N 3.44Å; T42-L46 WeakPolarHBondContact O-CB 3.33Å; T42-L46 VanDerWaalsContact O-CG 3.25Å; T42-L46 WeakPolarHBondContact O-CG 3.32Å; T42-L46 PolarHBondContact O-N 3.28Å
43L57.1Low59.8Low99 Ų99102.8 Ų102.852%0.51852%0.522SS..Hα-helixtrans-62.7-36.7173.1-74.1173.4000112.2R39 T40 S47R39-L43 HydrophobicContact CG-CD1 4.11Å; R39-L43 WeakPolarHBondContact O-CB 3.46Å; R39-L43 VanDerWaalsContact O-CG 3.3Å; R39-L43 WeakPolarHBondContact O-CG 3.33Å; R39-L43 PolarHBondContact O-N 2.95Å; R39-L43 VanDerWaalsContact O-N 3.14Å; T40-L43 PolarHBondContact O-N 2.6Å; L43-S47 WeakPolarHBondContact O-CB 3.37Å; L43-S47 PolarHBondContact O-N 2.73Å; L43-S47 PolarHBondContact O-OG 2.8Å; L43-S47 VanDerWaalsContact O-OG 3.07Å
44Q60.9Low61.6Low133 Ų133103.3 Ų103.362%0.62151%0.511SS*.Hα-helixtrans-69.7-41175.8-170.8173.614.200111.7T40 T42 S47 N48T40-Q44 WeakPolarHBondContact O-CB 3.43Å; T40-Q44 PolarHBondContact O-N 3.34Å; T42-Q44 VanDerWaalsContact C-N 3.3Å; T42-Q44 PolarHBondContact O-N 2.88Å; Q44-S47 PolarHBondContact O-OG 2.85Å; Q44-S47 VanDerWaalsContact O-OG 3.1Å; Q44-N48 WeakPolarHBondContact O-CB 3.42Å; Q44-N48 PolarHBondContact O-N 2.97Å
45A57.9Low63.6Low59 Ų5997.6 Ų97.649%0.48849%0.485SS..Hα-helixtrans-62.5-52174.200000111.5R41 T42 S47 N48 E49R41-A45 WeakPolarHBondContact O-CB 3.33Å; R41-A45 PolarHBondContact O-N 3.41Å; T42-A45 PolarHBondContact O-N 3.44Å; A45-S47 VanDerWaalsContact C-N 3.29Å; A45-S47 PolarHBondContact O-N 3.05Å; A45-N48 PolarHBondContact O-N 3.29Å; A45-E49 WeakPolarHBondContact O-CB 3.48Å; A45-E49 PolarHBondContact O-N 2.86Å
46L58.3Low65.7Low93 Ų9395.9 Ų95.949%0.48747%0.469SS..Hα-helixtrans-62.7-33179.4-69167.3000112.7T42 K50T42-L46 WeakPolarHBondContact O-CB 3.33Å; T42-L46 VanDerWaalsContact O-CG 3.25Å; T42-L46 WeakPolarHBondContact O-CG 3.32Å; T42-L46 PolarHBondContact O-N 3.28Å; L46-K50 WeakPolarHBondContact O-CB 3.48Å; L46-K50 WeakPolarHBondContact O-CG 3.3Å; L46-K50 PolarHBondContact O-N 3.25Å
47S57.6Low67.5Low68 Ų6892.8 Ų92.848%0.47645%0.447SS..Hα-helixtrans-76.4-33.9172.873.10000112.3L43 Q44 A45 E49 K50 K51L43-S47 WeakPolarHBondContact O-CB 3.37Å; L43-S47 PolarHBondContact O-N 2.73Å; L43-S47 PolarHBondContact O-OG 2.8Å; L43-S47 VanDerWaalsContact O-OG 3.07Å; Q44-S47 PolarHBondContact O-OG 2.85Å; Q44-S47 VanDerWaalsContact O-OG 3.1Å; A45-S47 VanDerWaalsContact C-N 3.29Å; A45-S47 PolarHBondContact O-N 3.05Å; S47-E49 VanDerWaalsContact C-N 3.34Å; S47-K50 CarbonylContact O-C 3.51Å; S47-K50 PolarHBondContact O-N 2.83Å; S47-K51 WeakPolarHBondContact O-CA 3.36Å; S47-K51 WeakPolarHBondContact O-CB 3.15Å; S47-K51 PolarHBondContact O-N 2.83Å
48N57.9Low69.4Low94 Ų9486 Ų8650%0.50342%0.417SS..Hα-helixtrans-75.3-23.4178.9-163.390.5000113Q44 A45 K51Q44-N48 WeakPolarHBondContact O-CB 3.42Å; Q44-N48 PolarHBondContact O-N 2.97Å; A45-N48 PolarHBondContact O-N 3.29Å; N48-K51 WeakPolarHBondContact OD1-CE 3.28Å; N48-K51 PolarHBondContact OD1-NZ 2.71Å
49E56Low71.2Confident151 Ų15180.9 Ų80.971%0.70640%0.397SS*.Hα-helixtrans-81.7-25.7171.9-170.2173.3-143.800112.6A45 S47A45-E49 WeakPolarHBondContact O-CB 3.48Å; A45-E49 PolarHBondContact O-N 2.86Å; S47-E49 VanDerWaalsContact C-N 3.34Å
50K59.5Low73Confident170 Ų17073.1 Ų73.174%0.73937%0.369SS*.Hα-helixtrans-110.1-1.6-179-64.2-172.2177-173.60115.5L46 S47L46-K50 WeakPolarHBondContact O-CB 3.48Å; L46-K50 WeakPolarHBondContact O-CG 3.3Å; L46-K50 PolarHBondContact O-N 3.25Å; S47-K50 CarbonylContact O-C 3.51Å; S47-K50 PolarHBondContact O-N 2.83Å
51K70.6Confident74.3Confident81 Ų8170.2 Ų70.235%0.35236%0.355SS..  trans-68142.4179.960.8179.5-179.2177.30111.6S47 N48 K53 E121S47-K51 WeakPolarHBondContact O-CA 3.36Å; S47-K51 WeakPolarHBondContact O-CB 3.15Å; S47-K51 PolarHBondContact O-N 2.83Å; N48-K51 WeakPolarHBondContact OD1-CE 3.28Å; N48-K51 PolarHBondContact OD1-NZ 2.71Å; K51-K53 PolarHBondContact O-N 2.61Å; K51-E121 VanDerWaalsContact CE-OE2 3.28Å; K51-E121 WeakPolarHBondContact CE-OE2 3.11Å; K51-E121 IonicContact NZ-OE2 3.03Å; K51-E121 PolarHBondContact NZ-OE2 3.28Å
52A84Confident75.7Confident38 Ų3862.2 Ų62.231%0.31433%0.326SS..  trans-73.1125.6164.200000109.6K54 A71 V72A52-K54 PolarHBondContact O-N 3.17Å; A52-A71 HydrophobicContact CB-CB 3.94Å; A52-V72 CarbonylContact C-O 3.6Å; A52-V72 WeakPolarHBondContact CA-O 3.25Å
53K89Confident76.8Confident50 Ų5066.7 Ų66.722%0.21733%0.334CS..EExtended strand (participates in β ladder)trans-65.2116173-57.2-176.3176.9-177.50108.6K51 V55 V72 M116 D117 L119K51-K53 PolarHBondContact O-N 2.61Å; K53-V55 PolarHBondContact O-N 2.86Å; K53-V72 PolarHBondContact N-O 3.32Å; K53-V72 PolarHBondContact O-N 2.8Å; K53-M116 PolarHBondContact NZ-O 2.99Å; K53-D117 PolarHBondContact NZ-O 3.24Å; K53-L119 HydrophobicContact CD-CB 4.22Å; K53-L119 WeakPolarHBondContact CD-O 3.22Å; K53-L119 WeakPolarHBondContact CE-O 3.42Å; K53-L119 PolarHBondContact NZ-O 2.91Å
54K90.6Very high78.1Confident79 Ų7970.2 Ų70.234%0.34334%0.341SS..EExtended strand (participates in β ladder)trans-84.5105.5179.1-168.4-172.9-170.4-172.30109.7A52 V69 Y70 E121 G122 W146A52-K54 PolarHBondContact O-N 3.17Å; K54-V69 HydrophobicContact CD-CG1 4.4Å; K54-V69 HydrophobicContact CG-CG1 3.87Å; K54-Y70 WeakPolarHBondContact CA-O 3.42Å; K54-E121 HydrophobicContact CB-CG 4.34Å; K54-G122 WeakPolarHBondContact O-CA 3.37Å; K54-G122 PolarHBondContact O-N 2.83Å; K54-W146 WeakPolarHBondContact CE-O 3.36Å; K54-W146 HydrophobicContact CG-CZ3 4.35Å; K54-W146 PolarHBondContact NZ-O 2.74Å
55V92.6Very high79.4Confident0 Ų066.6 Ų66.60%032%0.324CS..EExtended strand (participates in β ladder)trans-117.7166.3-176.6-64.50000111.3K53 F57 V69 Y70 V72 L119 E120 Y125 W146K53-V55 PolarHBondContact O-N 2.86Å; V55-F57 HydrophobicContact CG2-CD2 4.06Å; V55-F57 HydrophobicContact CG2-CE1 4.39Å; V55-F57 HydrophobicContact CG2-CE2 3.36Å; V55-F57 HydrophobicContact CG2-CZ 3.55Å; V55-V69 CarbonylContact O-C 3.56Å; V55-V69 WeakPolarHBondContact O-CA 3.4Å; V55-Y70 PolarHBondContact N-O 3.37Å; V55-Y70 PolarHBondContact O-N 3Å; V55-V72 HydrophobicContact CG2-CG2 3.66Å; V55-L119 HydrophobicContact CG1-CB 4.49Å; V55-E120 VanDerWaalsContact CG1-O 3.32Å; V55-E120 WeakPolarHBondContact CG1-O 3.37Å; V55-Y125 HydrophobicContact CB-CD2 4.14Å; V55-Y125 HydrophobicContact CB-CE2 4.21Å; V55-Y125 HydrophobicContact CG1-CD2 4.25Å; V55-Y125 HydrophobicContact CG1-CE2 3.84Å; V55-W146 VanDerWaalsContact C-CH2 3.49Å; V55-W146 VanDerWaalsContact C-CZ3 3.41Å
56R92.4Very high80.8Confident31 Ų3170.1 Ų70.112%0.11733%0.328CS..EExtended strand (participates in β ladder)trans-121.8124.7171-178.8179.5-77.6-85.9-3.5111.1Y58 K66 G67 I68 E123 S124 Y125 W146R56-Y58 HydrophobicContact CB-CE2 4.39Å; R56-Y58 VanDerWaalsContact CD-CZ 3.43Å; R56-Y58 WeakPolarHBondContact CD-OH 3.39Å; R56-Y58 HydrophobicContact CG-CD2 4.28Å; R56-Y58 HydrophobicContact CG-CE2 3.7Å; R56-K66 PolarHBondContact NH1-O 3.23Å; R56-G67 PolarHBondContact NH1-O 3.49Å; R56-I68 CarbonylContact C-O 3.6Å; R56-I68 VanDerWaalsContact CA-O 3.28Å; R56-I68 WeakPolarHBondContact CA-O 3.33Å; R56-I68 WeakPolarHBondContact CG-O 3.14Å; R56-E123 PolarHBondContact N-O 3.23Å; R56-S124 WeakPolarHBondContact O-CA 3.43Å; R56-Y125 PolarHBondContact O-N 2.89Å; R56-W146 HydrophobicContact CB-CD2 4.05Å; R56-W146 HydrophobicContact CB-CE3 4.09Å; R56-W146 HydrophobicContact CB-CH2 3.57Å; R56-W146 HydrophobicContact CB-CZ2 3.47Å; R56-W146 VanDerWaalsContact CB-CZ2 3.47Å; R56-W146 HydrophobicContact CB-CZ3 3.87Å; R56-W146 VanDerWaalsContact N-CH2 3.31Å; R56-W146 VanDerWaalsContact NE-CG 3.27Å
57F93.6Very high82.3Confident0 Ų066.3 Ų66.30%031%0.311CS..EExtended strand (participates in β ladder)trans-104.9127.4178.7-67.1-65.4000111.8V55 G67 I68 Y70 V72 L83 L87 L91 I104 Y125 C127V55-F57 HydrophobicContact CG2-CD2 4.06Å; V55-F57 HydrophobicContact CG2-CE1 4.39Å; V55-F57 HydrophobicContact CG2-CE2 3.36Å; V55-F57 HydrophobicContact CG2-CZ 3.55Å; F57-G67 CarbonylContact O-C 3.55Å; F57-G67 WeakPolarHBondContact O-CA 3.3Å; F57-I68 HydrophobicContact CB-CG2 4.17Å; F57-I68 PolarHBondContact N-O 3.32Å; F57-I68 PolarHBondContact O-N 2.9Å; F57-Y70 HydrophobicContact CD2-CD2 4.46Å; F57-Y70 HydrophobicContact CD2-CG 4.19Å; F57-Y70 HydrophobicContact CE2-CG 4.11Å; F57-V72 HydrophobicContact CE2-CG2 4.23Å; F57-L83 HydrophobicContact CE2-CD1 4.31Å; F57-L83 HydrophobicContact CZ-CD2 4.21Å; F57-L87 HydrophobicContact CB-CD2 4.4Å; F57-L87 HydrophobicContact CD1-CD1 4.2Å; F57-L87 HydrophobicContact CD2-CD1 3.89Å; F57-L87 HydrophobicContact CD2-CD2 3.37Å; F57-L87 HydrophobicContact CD2-CG 4.28Å; F57-L87 HydrophobicContact CE1-CD1 4.09Å; F57-L87 HydrophobicContact CE2-CD1 3.72Å; F57-L87 HydrophobicContact CE2-CD2 3.76Å; F57-L87 HydrophobicContact CE2-CG 4.32Å; F57-L87 HydrophobicContact CG-CD1 4.12Å; F57-L87 HydrophobicContact CG-CD2 3.99Å; F57-L87 HydrophobicContact CZ-CD1 3.84Å; F57-L91 HydrophobicContact CB-CD1 4Å; F57-I104 HydrophobicContact CD1-CG2 4.34Å; F57-I104 HydrophobicContact CE1-CD1 3.86Å; F57-I104 HydrophobicContact CE1-CG1 4.43Å; F57-I104 HydrophobicContact CE1-CG2 3.83Å; F57-I104 HydrophobicContact CZ-CD1 4.21Å; F57-Y125 CarbonylContact C-O 3.45Å; F57-Y125 WeakPolarHBondContact CA-O 3.43Å; F57-Y125 HydrophobicContact CE1-CD2 4.31Å; F57-Y125 HydrophobicContact CE1-CG 4.23Å; F57-C127 VanDerWaalsContact CD1-SG 3.58Å
58Y92.6Very high83.9Confident1 Ų165.6 Ų65.60%0.00430%0.301CS..EExtended strand (participates in β ladder)trans-105.1167.6174.4-64.2-95.7000111R56 K66 I107 Y125 C127 Y138 V142R56-Y58 HydrophobicContact CB-CE2 4.39Å; R56-Y58 VanDerWaalsContact CD-CZ 3.43Å; R56-Y58 WeakPolarHBondContact CD-OH 3.39Å; R56-Y58 HydrophobicContact CG-CD2 4.28Å; R56-Y58 HydrophobicContact CG-CE2 3.7Å; Y58-K66 VanDerWaalsContact CE1-O 3.26Å; Y58-K66 WeakPolarHBondContact CE1-O 3.43Å; Y58-I107 HydrophobicContact CD2-CD1 4.1Å; Y58-I107 HydrophobicContact CE2-CD1 4.16Å; Y58-Y125 PolarHBondContact N-O 3.34Å; Y58-C127 WeakPolarHBondContact O-CB 3.23Å; Y58-C127 PolarHBondContact O-N 3Å; Y58-Y138 HydrophobicContact CD1-CD1 4.21Å; Y58-Y138 HydrophobicContact CD1-CG 4.38Å; Y58-Y138 WeakPolarHBondContact CE1-O 3.49Å; Y58-Y138 HydrophobicContact CG-CD1 4.29Å; Y58-Y138 HydrophobicContact CG-CG 4.35Å; Y58-V142 HydrophobicContact CE1-CG2 4.27Å
59R91.6Very high85.5Confident38 Ų3863.8 Ų63.814%0.14329%0.294CS..EExtended strand (participates in β ladder)trans-103.6130.1177.8-57.2-173.7-58.1178.618.9109.9G61 D62 F65 L91 D93 N96 L97 Y138R59-G61 PolarHBondContact O-N 3.13Å; R59-D62 HydrophobicContact CB-CB 3.94Å; R59-D62 IonicContact CZ-OD2 2.76Å; R59-D62 VanDerWaalsContact CZ-OD2 3.27Å; R59-D62 IonicContact NE-OD2 2.7Å; R59-D62 PolarHBondContact NE-OD2 3.14Å; R59-D62 IonicContact NH2-OD2 3.76Å; R59-D62 PolarHBondContact NH2-OD2 3.48Å; R59-D62 WeakPolarHBondContact O-CB 3.24Å; R59-D62 PolarHBondContact O-N 3.02Å; R59-D62 VanDerWaalsContact O-N 3.08Å; R59-F65 HydrophobicContact CB-CD1 4.32Å; R59-F65 HydrophobicContact CG-CD1 3.69Å; R59-F65 HydrophobicContact CG-CE1 3.8Å; R59-F65 HydrophobicContact CG-CG 4.33Å; R59-L91 WeakPolarHBondContact CD-O 3.46Å; R59-L91 HydrophobicContact CG-CB 4.29Å; R59-L91 HydrophobicContact CG-CD2 4.07Å; R59-D93 IonicContact CZ-OD2 2.75Å; R59-D93 VanDerWaalsContact NH1-CB 3.32Å; R59-D93 IonicContact NH1-OD2 2.7Å; R59-D93 PolarHBondContact NH1-OD2 2.89Å; R59-D93 IonicContact NH2-OD2 3.27Å; R59-D93 PolarHBondContact NH2-OD2 3.29Å; R59-N96 HydrophobicContact CB-CB 4.42Å; R59-L97 HydrophobicContact CB-CD1 4.22Å; R59-L97 HydrophobicContact CG-CD1 3.95Å; R59-Y138 WeakPolarHBondContact O-CE1 3.31Å
60N90.8Very high87.2Confident12 Ų1257.7 Ų57.76%0.06427%0.265CS..THydrogen-bonded Turntrans-57.2128.1-177.2-175.117000112.2D62 N96 V126 C127 S128 F132 K134N60-D62 VanDerWaalsContact C-N 3.27Å; N60-D62 PolarHBondContact O-N 3.48Å; N60-N96 PolarHBondContact O-ND2 3Å; N60-V126 HydrophobicContact CB-CG1 4.01Å; N60-C127 VanDerWaalsContact CB-O 3.27Å; N60-C127 WeakPolarHBondContact CB-O 3.33Å; N60-C127 PolarHBondContact N-O 2.92Å; N60-S128 PolarHBondContact ND2-OG 2.86Å; N60-F132 PolarHBondContact ND2-O 2.76Å; N60-K134 WeakPolarHBondContact OD1-CB 3.3Å; N60-K134 PolarHBondContact OD1-N 2.87Å
61G86.5Confident88.7Confident20 Ų2052.2 Ų52.221%0.20625%0.251CS..THydrogen-bonded Turntrans77.8-0.8-178.100000115.7R59 Y138R59-G61 PolarHBondContact O-N 3.13Å; G61-Y138 PolarHBondContact N-OH 3.03Å
62D88.3Confident89.7Confident12 Ų1248.4 Ų48.46%0.06423%0.234CC..  trans-91.9117.9-178.7-165.9-25.9000111.7R59 N60 Y64 F65 N96 Y138R59-D62 HydrophobicContact CB-CB 3.94Å; R59-D62 IonicContact CZ-OD2 2.76Å; R59-D62 VanDerWaalsContact CZ-OD2 3.27Å; R59-D62 IonicContact NE-OD2 2.7Å; R59-D62 PolarHBondContact NE-OD2 3.14Å; R59-D62 IonicContact NH2-OD2 3.76Å; R59-D62 PolarHBondContact NH2-OD2 3.48Å; R59-D62 WeakPolarHBondContact O-CB 3.24Å; R59-D62 PolarHBondContact O-N 3.02Å; R59-D62 VanDerWaalsContact O-N 3.08Å; N60-D62 VanDerWaalsContact C-N 3.27Å; N60-D62 PolarHBondContact O-N 3.48Å; D62-Y64 PolarHBondContact OD1-N 3.41Å; D62-F65 HydrophobicContact CB-CB 4.22Å; D62-F65 PolarHBondContact OD1-N 2.96Å; D62-F65 WeakPolarHBondContact OD2-CB 3.33Å; D62-N96 PolarHBondContact N-ND2 3.35Å; D62-Y138 WeakPolarHBondContact O-CD1 3.05Å; D62-Y138 WeakPolarHBondContact O-CE1 3.42Å
63R85.5Confident89.9Confident172 Ų17247.5 Ų47.565%0.64923%0.226SC*.SBendtrans-93.2-10178.778.5-176.382.7114-1.7114.1V136R63-V136 HydrophobicContact CB-CG1 3.61Å
64Y84.3Confident89.7Confident172 Ų17249.5 Ų49.568%0.67525%0.246SC*.SBendtrans-107.8-32.3-172.1-60.8-70.1000111.8D62 K66D62-Y64 PolarHBondContact OD1-N 3.41Å; Y64-K66 PolarHBondContact O-N 2.94Å
65F87.7Confident89.4Confident58 Ų5851.2 Ų51.225%0.25426%0.259SS..  trans-71.3111.3174.9-177.5-106.6000111.7R59 D62 G67 I68 L91R59-F65 HydrophobicContact CB-CD1 4.32Å; R59-F65 HydrophobicContact CG-CD1 3.69Å; R59-F65 HydrophobicContact CG-CE1 3.8Å; R59-F65 HydrophobicContact CG-CG 4.33Å; D62-F65 HydrophobicContact CB-CB 4.22Å; D62-F65 PolarHBondContact OD1-N 2.96Å; D62-F65 WeakPolarHBondContact OD2-CB 3.33Å; F65-G67 PolarHBondContact O-N 2.81Å; F65-I68 HydrophobicContact CZ-CB 4.2Å; F65-L91 HydrophobicContact CE1-CD2 3.52Å; F65-L91 HydrophobicContact CE2-CD2 4.49Å; F65-L91 HydrophobicContact CZ-CD2 3.38Å
66K86.8Confident89Confident133 Ų13357.4 Ų57.458%0.57828%0.282SS*.  trans-71.16.8-178.2-63.2-179.7-177.8177.20114.5R56 Y58 Y64 V142R56-K66 PolarHBondContact NH1-O 3.23Å; Y58-K66 VanDerWaalsContact CE1-O 3.26Å; Y58-K66 WeakPolarHBondContact CE1-O 3.43Å; Y64-K66 PolarHBondContact O-N 2.94Å; K66-V142 HydrophobicContact CB-CG2 3.93Å; K66-V142 HydrophobicContact CG-CG2 4.23Å
67G90.1Very high88.8Confident13 Ų1356.3 Ų56.313%0.13428%0.278CS..  trans82.6153.2-174.400000113.6R56 F57 F65R56-G67 PolarHBondContact NH1-O 3.49Å; F57-G67 CarbonylContact O-C 3.55Å; F57-G67 WeakPolarHBondContact O-CA 3.3Å; F65-G67 PolarHBondContact O-N 2.81Å
68I91.1Very high88.4Confident52 Ų5265.9 Ų65.927%0.26732%0.315SS..EExtended strand (participates in β ladder)trans-97.5142.6165.9-163.3175.7000109.9R56 F57 F65 S90 L91R56-I68 CarbonylContact C-O 3.6Å; R56-I68 VanDerWaalsContact CA-O 3.28Å; R56-I68 WeakPolarHBondContact CA-O 3.33Å; R56-I68 WeakPolarHBondContact CG-O 3.14Å; F57-I68 HydrophobicContact CB-CG2 4.17Å; F57-I68 PolarHBondContact N-O 3.32Å; F57-I68 PolarHBondContact O-N 2.9Å; F65-I68 HydrophobicContact CZ-CB 4.2Å; I68-S90 WeakPolarHBondContact CD1-OG 3.22Å; I68-L91 HydrophobicContact CB-CD2 4.34Å; I68-L91 HydrophobicContact CG2-CD2 3.75Å; I68-L91 HydrophobicContact CG2-CG 4.37Å
69V91.9Very high88.3Confident57 Ų5768.6 Ų68.635%0.34533%0.334SS..EExtended strand (participates in β ladder)trans-87.7131.1170.3-179.10000108.7K54 V55 W146K54-V69 HydrophobicContact CD-CG1 4.4Å; K54-V69 HydrophobicContact CG-CG1 3.87Å; V55-V69 CarbonylContact O-C 3.56Å; V55-V69 WeakPolarHBondContact O-CA 3.4Å; V69-W146 HydrophobicContact CB-CE3 4.48Å; V69-W146 HydrophobicContact CG1-CE3 3.92Å; V69-W146 HydrophobicContact CG1-CZ3 4.26Å; V69-W146 HydrophobicContact CG2-CB 4.12Å; V69-W146 HydrophobicContact CG2-CD2 4.24Å; V69-W146 HydrophobicContact CG2-CE3 3.8Å; V69-W146 HydrophobicContact CG2-CG 4.39Å
70Y92Very high88.3Confident23 Ų2368.5 Ų68.59%0.0934%0.335CS..EExtended strand (participates in β ladder)trans-127.9141.3-175.2-146.9-69.1000111.2K54 V55 F57 V72 R76 F77 L83 D86 L87K54-Y70 WeakPolarHBondContact CA-O 3.42Å; V55-Y70 PolarHBondContact N-O 3.37Å; V55-Y70 PolarHBondContact O-N 3Å; F57-Y70 HydrophobicContact CD2-CD2 4.46Å; F57-Y70 HydrophobicContact CD2-CG 4.19Å; F57-Y70 HydrophobicContact CE2-CG 4.11Å; Y70-V72 HydrophobicContact CD1-CG2 3.72Å; Y70-V72 HydrophobicContact CG-CG2 4.43Å; Y70-R76 PolarHBondContact OH-NH1 2.87Å; Y70-R76 PolarHBondContact OH-NH2 2.8Å; Y70-F77 HydrophobicContact CD1-CE2 4.22Å; Y70-F77 HydrophobicContact CD1-CZ 4.37Å; Y70-F77 AromaticContact CE1-CE2 3.59Å; Y70-F77 HydrophobicContact CE1-CE2 3.59Å; Y70-F77 AromaticContact CE1-CZ 3.46Å; Y70-F77 HydrophobicContact CE1-CZ 3.46Å; Y70-F77 VanDerWaalsContact CE1-CZ 3.46Å; Y70-F77 AromaticContact CZ-CZ 3.81Å; Y70-L83 HydrophobicContact CD1-CD1 4.46Å; Y70-D86 PolarHBondContact OH-OD1 2.91Å; Y70-D86 PolarHBondContact OH-OD2 3.03Å; Y70-L87 HydrophobicContact CD2-CD2 3.55Å; Y70-L87 HydrophobicContact CE2-CD2 3.9Å; Y70-L87 HydrophobicContact CG-CD2 4.2Å
71A91.6Very high88.3Confident54 Ų5473.2 Ų73.245%0.44636%0.359SS..EExtended strand (participates in β ladder)trans-103.6113.8174.700000110A52A52-A71 HydrophobicContact CB-CB 3.94Å
72V90.4Very high88.6Confident1 Ų174 Ų741%0.00636%0.364CS..EExtended strand (participates in β ladder)trans-116.9106.5-168.4-178.40000110.8A52 K53 V55 F57 Y70 F77 L83 M116 L119A52-V72 CarbonylContact C-O 3.6Å; A52-V72 WeakPolarHBondContact CA-O 3.25Å; K53-V72 PolarHBondContact N-O 3.32Å; K53-V72 PolarHBondContact O-N 2.8Å; V55-V72 HydrophobicContact CG2-CG2 3.66Å; F57-V72 HydrophobicContact CE2-CG2 4.23Å; Y70-V72 HydrophobicContact CD1-CG2 3.72Å; Y70-V72 HydrophobicContact CG-CG2 4.43Å; V72-F77 HydrophobicContact CG1-CD2 4.11Å; V72-F77 HydrophobicContact CG1-CE2 4.37Å; V72-F77 HydrophobicContact CG2-CE2 4.36Å; V72-L83 HydrophobicContact CG1-CD2 4.14Å; V72-L83 HydrophobicContact CG2-CD1 4.05Å; V72-L83 HydrophobicContact CG2-CD2 4.49Å; V72-M116 HydrophobicContact CG1-CE 3.9Å; V72-M116 HydrophobicContact CG1-CG 3.88Å; V72-M116 HydrophobicContact CG1-SD 3.19Å; V72-M116 WeakPolarHBondContact CG1-SD 3.39Å; V72-L119 HydrophobicContact CG1-CD1 3.91Å
73S88.7Confident88.8Confident20 Ų2073.4 Ų73.414%0.1436%0.361CS..  trans-121.6153172.362.20000111.3D75 R76 F77S73-D75 PolarHBondContact O-N 2.77Å; S73-R76 PolarHBondContact O-N 3.42Å; S73-R76 WeakPolarHBondContact OG-CB 3.35Å; S73-R76 PolarHBondContact OG-N 2.92Å; S73-F77 PolarHBondContact O-N 3.07Å
74S85.4Confident89.1Confident92 Ų9266 Ų6664%0.64334%0.335SS*.THydrogen-bonded Turntrans-62.8-24.817146.30000113.2F77S74-F77 CarbonylContact C-O 3.53Å; S74-F77 CarbonylContact O-C 3.59Å; S74-F77 VanDerWaalsContact O-O 3.07Å
75D83.4Confident89.5Confident115 Ų11560 Ų6062%0.61532%0.32SS*.THydrogen-bonded Turntrans-71.6-47.6173.6-175.735.7000112S73 F77 R78S73-D75 PolarHBondContact O-N 2.77Å; D75-F77 VanDerWaalsContact C-N 3.33Å; D75-F77 PolarHBondContact O-N 3.33Å; D75-R78 PolarHBondContact O-NE 2.62Å; D75-R78 PolarHBondContact O-NH2 2.92Å; D75-R78 IonicContact OD1-NH2 2.77Å; D75-R78 PolarHBondContact OD1-NH2 3.07Å
76R84.4Confident89.7Confident130 Ų13059.2 Ų59.249%0.49132%0.318SS..THydrogen-bonded Turntrans-67.2-33.6176.4-168.2-170.7-174.8-69.33.7112Y70 S73 D86Y70-R76 PolarHBondContact OH-NH1 2.87Å; Y70-R76 PolarHBondContact OH-NH2 2.8Å; S73-R76 PolarHBondContact O-N 3.42Å; S73-R76 WeakPolarHBondContact OG-CB 3.35Å; S73-R76 PolarHBondContact OG-N 2.92Å; R76-D86 IonicContact CZ-OD1 2.62Å; R76-D86 VanDerWaalsContact CZ-OD1 3.3Å; R76-D86 IonicContact NH1-OD1 3.6Å; R76-D86 PolarHBondContact NH1-OD1 3.1Å; R76-D86 IonicContact NH2-OD1 2.99Å; R76-D86 PolarHBondContact NH2-OD1 3.36Å
77F87.4Confident89.9Confident7 Ų752.9 Ų52.93%0.03129%0.291CS..  trans-127.7104.8-174.6-66.1-68.4000111.3Y70 V72 S73 S74 D75 S79 A82 L83 D86 M116Y70-F77 HydrophobicContact CD1-CE2 4.22Å; Y70-F77 HydrophobicContact CD1-CZ 4.37Å; Y70-F77 AromaticContact CE1-CE2 3.59Å; Y70-F77 HydrophobicContact CE1-CE2 3.59Å; Y70-F77 AromaticContact CE1-CZ 3.46Å; Y70-F77 HydrophobicContact CE1-CZ 3.46Å; Y70-F77 VanDerWaalsContact CE1-CZ 3.46Å; Y70-F77 AromaticContact CZ-CZ 3.81Å; V72-F77 HydrophobicContact CG1-CD2 4.11Å; V72-F77 HydrophobicContact CG1-CE2 4.37Å; V72-F77 HydrophobicContact CG2-CE2 4.36Å; S73-F77 PolarHBondContact O-N 3.07Å; S74-F77 CarbonylContact C-O 3.53Å; S74-F77 CarbonylContact O-C 3.59Å; S74-F77 VanDerWaalsContact O-O 3.07Å; D75-F77 VanDerWaalsContact C-N 3.33Å; D75-F77 PolarHBondContact O-N 3.33Å; F77-S79 PolarHBondContact O-N 3.33Å; F77-A82 HydrophobicContact CD1-CB 4.15Å; F77-L83 HydrophobicContact CD1-CB 4.02Å; F77-L83 HydrophobicContact CD2-CB 4.47Å; F77-L83 HydrophobicContact CD2-CD1 4.25Å; F77-L83 HydrophobicContact CE1-CB 4.07Å; F77-L83 HydrophobicContact CE1-CD1 4.06Å; F77-L83 HydrophobicContact CE2-CD1 3.6Å; F77-L83 HydrophobicContact CG-CB 4.2Å; F77-L83 HydrophobicContact CZ-CB 4.29Å; F77-L83 HydrophobicContact CZ-CD1 3.45Å; F77-L83 VanDerWaalsContact CZ-CD1 3.45Å; F77-L83 HydrophobicContact CZ-CG 4.49Å; F77-D86 HydrophobicContact CE1-CB 3.77Å; F77-D86 HydrophobicContact CZ-CB 4.22Å; F77-M116 HydrophobicContact CB-CE 3.32Å; F77-M116 HydrophobicContact CD2-CE 4.12Å; F77-M116 HydrophobicContact CG-CE 3.98Å
78R86.1Confident90Very high201 Ų20154.5 Ų54.576%0.75830%0.298SS*.SBendtrans-72.7-11.5-179.9-55.7-62.615990.8-11.1114.1D75D75-R78 PolarHBondContact O-NE 2.62Å; D75-R78 PolarHBondContact O-NH2 2.92Å; D75-R78 IonicContact OD1-NH2 2.77Å; D75-R78 PolarHBondContact OD1-NH2 3.07Å
79S90.2Very high89.9Confident58 Ų5861.7 Ų61.741%0.40632%0.322SS..SBendtrans-151.5164.1173.269.70000110.8F77 D81 A82F77-S79 PolarHBondContact O-N 3.33Å; S79-D81 VanDerWaalsContact C-N 3.28Å; S79-D81 PolarHBondContact OG-N 3.16Å; S79-A82 PolarHBondContact O-N 3.5Å; S79-A82 PolarHBondContact OG-N 3.45Å; S79-A82 VanDerWaalsContact OG-N 3.08Å
80F91.1Very high89.7Confident37 Ų3761.2 Ų61.216%0.16232%0.322CS..Hα-helixtrans-63.9-34.7170.6-174.4-103.9000111.9A82 L83 L84 I104 I113F80-A82 VanDerWaalsContact C-N 3.33Å; F80-A82 PolarHBondContact O-N 3.42Å; F80-L83 WeakPolarHBondContact O-CA 3.19Å; F80-L83 WeakPolarHBondContact O-CB 3.44Å; F80-L83 PolarHBondContact O-N 3.42Å; F80-L84 HydrophobicContact CD1-CD1 3.98Å; F80-L84 HydrophobicContact CD1-CG 4.14Å; F80-L84 HydrophobicContact CE1-CD1 3.96Å; F80-L84 HydrophobicContact CE1-CD2 3.98Å; F80-L84 HydrophobicContact CE1-CG 4.06Å; F80-L84 HydrophobicContact CZ-CD2 4.37Å; F80-L84 PolarHBondContact O-N 3.3Å; F80-I104 HydrophobicContact CE2-CD1 3.97Å; F80-I104 HydrophobicContact CZ-CB 4.16Å; F80-I104 HydrophobicContact CZ-CD1 3.79Å; F80-I104 HydrophobicContact CZ-CG1 4.18Å; F80-I113 HydrophobicContact CE2-CB 4.42Å; F80-I113 HydrophobicContact CE2-CG2 3.83Å; F80-I113 HydrophobicContact CZ-CB 4.27Å; F80-I113 HydrophobicContact CZ-CG2 4.15Å; F80-I113 WeakPolarHBondContact CZ-O 3.35Å
81D91.7Very high89.4Confident110 Ų11060.3 Ų60.359%0.58832%0.318SS*.Hα-helixtrans-64.7-34.7176.2-169.960000112.8S79 L83 L84 A85S79-D81 VanDerWaalsContact C-N 3.28Å; S79-D81 PolarHBondContact OG-N 3.16Å; D81-L83 VanDerWaalsContact C-N 3.25Å; D81-L83 PolarHBondContact O-N 2.87Å; D81-L84 WeakPolarHBondContact O-CB 3.14Å; D81-L84 PolarHBondContact O-N 3.36Å; D81-L84 VanDerWaalsContact O-N 3.14Å; D81-A85 WeakPolarHBondContact O-CB 3.12Å; D81-A85 PolarHBondContact O-N 2.79Å
82A92.6Very high88.7Confident37 Ų3761.6 Ų61.631%0.30632%0.324SS..Hα-helixtrans-62.8-31.5171.900000112.7F77 S79 F80 D86F77-A82 HydrophobicContact CD1-CB 4.15Å; S79-A82 PolarHBondContact O-N 3.5Å; S79-A82 PolarHBondContact OG-N 3.45Å; S79-A82 VanDerWaalsContact OG-N 3.08Å; F80-A82 VanDerWaalsContact C-N 3.33Å; F80-A82 PolarHBondContact O-N 3.42Å; A82-D86 PolarHBondContact O-N 2.96Å
83L92.6Very high88.1Confident0 Ų063.1 Ų63.10%033%0.332CS..Hα-helixtrans-71.4-43.5171.2172.868.3000111.2F57 Y70 V72 F77 F80 D81 A85 D86 L87 I104 M116 L119F57-L83 HydrophobicContact CE2-CD1 4.31Å; F57-L83 HydrophobicContact CZ-CD2 4.21Å; Y70-L83 HydrophobicContact CD1-CD1 4.46Å; V72-L83 HydrophobicContact CG1-CD2 4.14Å; V72-L83 HydrophobicContact CG2-CD1 4.05Å; V72-L83 HydrophobicContact CG2-CD2 4.49Å; F77-L83 HydrophobicContact CD1-CB 4.02Å; F77-L83 HydrophobicContact CD2-CB 4.47Å; F77-L83 HydrophobicContact CD2-CD1 4.25Å; F77-L83 HydrophobicContact CE1-CB 4.07Å; F77-L83 HydrophobicContact CE1-CD1 4.06Å; F77-L83 HydrophobicContact CE2-CD1 3.6Å; F77-L83 HydrophobicContact CG-CB 4.2Å; F77-L83 HydrophobicContact CZ-CB 4.29Å; F77-L83 HydrophobicContact CZ-CD1 3.45Å; F77-L83 VanDerWaalsContact CZ-CD1 3.45Å; F77-L83 HydrophobicContact CZ-CG 4.49Å; F80-L83 WeakPolarHBondContact O-CA 3.19Å; F80-L83 WeakPolarHBondContact O-CB 3.44Å; F80-L83 PolarHBondContact O-N 3.42Å; D81-L83 VanDerWaalsContact C-N 3.25Å; D81-L83 PolarHBondContact O-N 2.87Å; L83-A85 VanDerWaalsContact C-N 3.31Å; L83-A85 PolarHBondContact O-N 2.76Å; L83-D86 PolarHBondContact O-N 3.33Å; L83-L87 HydrophobicContact CD1-CD1 3.76Å; L83-L87 HydrophobicContact CD1-CD2 4.42Å; L83-L87 HydrophobicContact CD1-CG 3.84Å; L83-L87 HydrophobicContact CD2-CD1 4.41Å; L83-L87 HydrophobicContact CG-CD1 3.74Å; L83-L87 HydrophobicContact CG-CG 4.23Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 VanDerWaalsContact O-CG 3.23Å; L83-L87 WeakPolarHBondContact O-CG 3.49Å; L83-L87 PolarHBondContact O-N 3.35Å; L83-I104 HydrophobicContact CD2-CD1 4.04Å; L83-I104 HydrophobicContact CG-CD1 4.46Å; L83-M116 HydrophobicContact CB-CE 4.2Å; L83-M116 HydrophobicContact CD2-CE 4.37Å; L83-M116 HydrophobicContact CD2-SD 3.79Å; L83-L119 HydrophobicContact CD2-CD1 3.83Å
84L92.1Very high87.4Confident17 Ų1769.4 Ų69.49%0.08936%0.364CS..Hα-helixtrans-58.2-41.8174.8-63.8177.2000111.9F80 D81 T88 V101 I104F80-L84 HydrophobicContact CD1-CD1 3.98Å; F80-L84 HydrophobicContact CD1-CG 4.14Å; F80-L84 HydrophobicContact CE1-CD1 3.96Å; F80-L84 HydrophobicContact CE1-CD2 3.98Å; F80-L84 HydrophobicContact CE1-CG 4.06Å; F80-L84 HydrophobicContact CZ-CD2 4.37Å; F80-L84 PolarHBondContact O-N 3.3Å; D81-L84 WeakPolarHBondContact O-CB 3.14Å; D81-L84 PolarHBondContact O-N 3.36Å; D81-L84 VanDerWaalsContact O-N 3.14Å; L84-T88 VanDerWaalsContact O-CB 3.3Å; L84-T88 WeakPolarHBondContact O-CB 3.46Å; L84-T88 PolarHBondContact O-N 2.87Å; L84-T88 PolarHBondContact O-OG1 3.33Å; L84-V101 HydrophobicContact CD2-CG1 3.89Å; L84-I104 HydrophobicContact CD2-CD1 3.9Å; L84-I104 HydrophobicContact CD2-CG1 3.8Å
85A91.4Very high87.1Confident45 Ų4572.2 Ų72.237%0.37237%0.37SS..Hα-helixtrans-68.3-37.5178.800000113.6D81 L83 R89D81-A85 WeakPolarHBondContact O-CB 3.12Å; D81-A85 PolarHBondContact O-N 2.79Å; L83-A85 VanDerWaalsContact C-N 3.31Å; L83-A85 PolarHBondContact O-N 2.76Å; A85-R89 PolarHBondContact O-N 3.43Å
86D92.4Very high86.9Confident41 Ų4168.7 Ų68.722%0.21935%0.352CS..Hα-helixtrans-72.5-45.9175-168.3133.6000110.9Y70 R76 F77 A82 L83 T88 R89 S90Y70-D86 PolarHBondContact OH-OD1 2.91Å; Y70-D86 PolarHBondContact OH-OD2 3.03Å; R76-D86 IonicContact CZ-OD1 2.62Å; R76-D86 VanDerWaalsContact CZ-OD1 3.3Å; R76-D86 IonicContact NH1-OD1 3.6Å; R76-D86 PolarHBondContact NH1-OD1 3.1Å; R76-D86 IonicContact NH2-OD1 2.99Å; R76-D86 PolarHBondContact NH2-OD1 3.36Å; F77-D86 HydrophobicContact CE1-CB 3.77Å; F77-D86 HydrophobicContact CZ-CB 4.22Å; A82-D86 PolarHBondContact O-N 2.96Å; L83-D86 PolarHBondContact O-N 3.33Å; D86-T88 PolarHBondContact O-N 3.14Å; D86-R89 WeakPolarHBondContact O-CA 3.44Å; D86-R89 WeakPolarHBondContact O-CB 3.28Å; D86-R89 PolarHBondContact O-N 2.88Å; D86-S90 PolarHBondContact O-N 3Å
87L92.1Very high86.9Confident0 Ų062.7 Ų62.70%033%0.329CS..Hα-helixtrans-60.4-33.3173.7-68.7175000112.6F57 Y70 L83 R89 S90 L91 V101 I104F57-L87 HydrophobicContact CB-CD2 4.4Å; F57-L87 HydrophobicContact CD1-CD1 4.2Å; F57-L87 HydrophobicContact CD2-CD1 3.89Å; F57-L87 HydrophobicContact CD2-CD2 3.37Å; F57-L87 HydrophobicContact CD2-CG 4.28Å; F57-L87 HydrophobicContact CE1-CD1 4.09Å; F57-L87 HydrophobicContact CE2-CD1 3.72Å; F57-L87 HydrophobicContact CE2-CD2 3.76Å; F57-L87 HydrophobicContact CE2-CG 4.32Å; F57-L87 HydrophobicContact CG-CD1 4.12Å; F57-L87 HydrophobicContact CG-CD2 3.99Å; F57-L87 HydrophobicContact CZ-CD1 3.84Å; Y70-L87 HydrophobicContact CD2-CD2 3.55Å; Y70-L87 HydrophobicContact CE2-CD2 3.9Å; Y70-L87 HydrophobicContact CG-CD2 4.2Å; L83-L87 HydrophobicContact CD1-CD1 3.76Å; L83-L87 HydrophobicContact CD1-CD2 4.42Å; L83-L87 HydrophobicContact CD1-CG 3.84Å; L83-L87 HydrophobicContact CD2-CD1 4.41Å; L83-L87 HydrophobicContact CG-CD1 3.74Å; L83-L87 HydrophobicContact CG-CG 4.23Å; L83-L87 WeakPolarHBondContact O-CB 3.49Å; L83-L87 VanDerWaalsContact O-CG 3.23Å; L83-L87 WeakPolarHBondContact O-CG 3.49Å; L83-L87 PolarHBondContact O-N 3.35Å; L87-R89 VanDerWaalsContact C-N 3.3Å; L87-R89 PolarHBondContact O-N 3.37Å; L87-S90 PolarHBondContact O-N 3.08Å; L87-L91 HydrophobicContact CB-CD1 4.44Å; L87-L91 HydrophobicContact CD2-CD1 4.32Å; L87-L91 VanDerWaalsContact O-CB 3.27Å; L87-L91 WeakPolarHBondContact O-CB 3.35Å; L87-L91 PolarHBondContact O-N 3.48Å; L87-V101 HydrophobicContact CB-CB 4.17Å; L87-V101 HydrophobicContact CB-CG1 4.19Å; L87-V101 HydrophobicContact CB-CG2 4.06Å; L87-I104 HydrophobicContact CD1-CD1 3.76Å; L87-I104 HydrophobicContact CD1-CG1 4.49Å
88T90.8Very high86.6Confident47 Ų4766.7 Ų66.729%0.28836%0.356SS..Hα-helixtrans-59.7-39.8172-68.50000112L84 D86 S92 V101L84-T88 VanDerWaalsContact O-CB 3.3Å; L84-T88 WeakPolarHBondContact O-CB 3.46Å; L84-T88 PolarHBondContact O-N 2.87Å; L84-T88 PolarHBondContact O-OG1 3.33Å; D86-T88 PolarHBondContact O-N 3.14Å; T88-S92 WeakPolarHBondContact O-CA 3.18Å; T88-S92 VanDerWaalsContact O-CB 3.31Å; T88-S92 WeakPolarHBondContact O-CB 3.34Å; T88-S92 PolarHBondContact O-N 3.03Å; T88-V101 PolarHBondContact OG1-N 3.07Å; T88-V101 PolarHBondContact OG1-O 2.88Å
89R89.1Confident86.5Confident203 Ų20363.2 Ų63.277%0.76635%0.348SS*.Hα-helixtrans-74.6-32.9175.4-60.4172.8-164.1-80.5-0.9112.3A85 D86 L87 S92A85-R89 PolarHBondContact O-N 3.43Å; D86-R89 WeakPolarHBondContact O-CA 3.44Å; D86-R89 WeakPolarHBondContact O-CB 3.28Å; D86-R89 PolarHBondContact O-N 2.88Å; L87-R89 VanDerWaalsContact C-N 3.3Å; L87-R89 PolarHBondContact O-N 3.37Å; R89-S92 PolarHBondContact O-OG 3.05Å
90S88.6Confident86.3Confident48 Ų4860.9 Ų60.934%0.33633%0.333SS..Hα-helixtrans-88.8-16.6-175-171.80000114.9I68 D86 L87I68-S90 WeakPolarHBondContact CD1-OG 3.22Å; D86-S90 PolarHBondContact O-N 3Å; L87-S90 PolarHBondContact O-N 3.08Å
91L84.9Confident86.4Confident4 Ų459.3 Ų59.32%0.02133%0.327CS..SBendtrans-121.16.2-180-64174.4000112.7F57 R59 F65 I68 L87 D93 L97 V101 C127F57-L91 HydrophobicContact CB-CD1 4Å; R59-L91 WeakPolarHBondContact CD-O 3.46Å; R59-L91 HydrophobicContact CG-CB 4.29Å; R59-L91 HydrophobicContact CG-CD2 4.07Å; F65-L91 HydrophobicContact CE1-CD2 3.52Å; F65-L91 HydrophobicContact CE2-CD2 4.49Å; F65-L91 HydrophobicContact CZ-CD2 3.38Å; I68-L91 HydrophobicContact CB-CD2 4.34Å; I68-L91 HydrophobicContact CG2-CD2 3.75Å; I68-L91 HydrophobicContact CG2-CG 4.37Å; L87-L91 HydrophobicContact CB-CD1 4.44Å; L87-L91 HydrophobicContact CD2-CD1 4.32Å; L87-L91 VanDerWaalsContact O-CB 3.27Å; L87-L91 WeakPolarHBondContact O-CB 3.35Å; L87-L91 PolarHBondContact O-N 3.48Å; L91-D93 PolarHBondContact O-N 2.84Å; L91-D93 VanDerWaalsContact O-N 3.13Å; L91-L97 HydrophobicContact CB-CD1 3.91Å; L91-V101 HydrophobicContact CB-CG2 4.25Å; L91-V101 HydrophobicContact CD1-CG2 4.19Å; L91-C127 HydrophobicContact CD1-CB 3.81Å; L91-C127 VanDerWaalsContact CD1-SG 3.58Å
92S77.8Confident86.4Confident81 Ų8160.2 Ų60.257%0.56632%0.322SS*.  trans-45.8114.7-176.952.60000112.3T88 R89T88-S92 WeakPolarHBondContact O-CA 3.18Å; T88-S92 VanDerWaalsContact O-CB 3.31Å; T88-S92 WeakPolarHBondContact O-CB 3.34Å; T88-S92 PolarHBondContact O-N 3.03Å; R89-S92 PolarHBondContact O-OG 3.05Å
93D78.4Confident86.3Confident33 Ų3361.6 Ų61.618%0.17632%0.32CS..  trans-149.5113.9178.3-166.3-60.7000108.7R59 L91 I95 N96 L97R59-D93 IonicContact CZ-OD2 2.75Å; R59-D93 VanDerWaalsContact NH1-CB 3.32Å; R59-D93 IonicContact NH1-OD2 2.7Å; R59-D93 PolarHBondContact NH1-OD2 2.89Å; R59-D93 IonicContact NH2-OD2 3.27Å; R59-D93 PolarHBondContact NH2-OD2 3.29Å; L91-D93 PolarHBondContact O-N 2.84Å; L91-D93 VanDerWaalsContact O-N 3.13Å; D93-I95 PolarHBondContact O-N 2.83Å; D93-I95 VanDerWaalsContact O-N 3.15Å; D93-I95 WeakPolarHBondContact OD1-CA 3.44Å; D93-I95 VanDerWaalsContact OD1-CB 3.32Å; D93-I95 WeakPolarHBondContact OD1-CB 3.32Å; D93-I95 PolarHBondContact OD1-N 3.42Å; D93-N96 HydrophobicContact CB-CB 4.35Å; D93-N96 PolarHBondContact OD1-N 2.85Å; D93-N96 VanDerWaalsContact OD1-N 3.1Å; D93-L97 CarbonylContact O-C 3.42Å; D93-L97 VanDerWaalsContact O-CA 3.24Å; D93-L97 WeakPolarHBondContact O-CA 3.19Å; D93-L97 PolarHBondContact O-N 2.92Å
94N73.3Confident86.4Confident151 Ų15161.6 Ų61.681%0.80732%0.32SS*.THydrogen-bonded Turntrans-69.4-11.4-175.2-59.1-59.4000113.1
95I79.4Confident86.4Confident152 Ų15261.8 Ų61.878%0.77932%0.319SS*.THydrogen-bonded Turntrans-92.9-50.2178.2-52.2175.3000110.2D93D93-I95 PolarHBondContact O-N 2.83Å; D93-I95 VanDerWaalsContact O-N 3.15Å; D93-I95 WeakPolarHBondContact OD1-CA 3.44Å; D93-I95 VanDerWaalsContact OD1-CB 3.32Å; D93-I95 WeakPolarHBondContact OD1-CB 3.32Å; D93-I95 PolarHBondContact OD1-N 3.42Å
96N78.9Confident86.5Confident41 Ų4160.3 Ų60.322%0.21931%0.306CS..THydrogen-bonded Turntrans-90.1-25.4-176.1-81.795.8000114.2R59 N60 D62 D93R59-N96 HydrophobicContact CB-CB 4.42Å; N60-N96 PolarHBondContact O-ND2 3Å; D62-N96 PolarHBondContact N-ND2 3.35Å; D93-N96 HydrophobicContact CB-CB 4.35Å; D93-N96 PolarHBondContact OD1-N 2.85Å; D93-N96 VanDerWaalsContact OD1-N 3.1Å
97L84.1Confident86.3Confident3 Ų360.1 Ų60.12%0.01630%0.304CS..  trans-139.161.4-174-68173.6000111.7R59 L91 D93 Q99 G100 V101 S129R59-L97 HydrophobicContact CB-CD1 4.22Å; R59-L97 HydrophobicContact CG-CD1 3.95Å; L91-L97 HydrophobicContact CB-CD1 3.91Å; D93-L97 CarbonylContact O-C 3.42Å; D93-L97 VanDerWaalsContact O-CA 3.24Å; D93-L97 WeakPolarHBondContact O-CA 3.19Å; D93-L97 PolarHBondContact O-N 2.92Å; L97-Q99 PolarHBondContact O-N 3.08Å; L97-Q99 VanDerWaalsContact O-N 3.11Å; L97-G100 PolarHBondContact O-N 3.34Å; L97-V101 HydrophobicContact CD1-CG2 3.93Å; L97-S129 WeakPolarHBondContact CA-OG 3.11Å; L97-S129 PolarHBondContact O-OG 2.82Å
98P80.7Confident85.9Confident91 Ų9164.1 Ų64.159%0.59133%0.326SS*.THydrogen-bonded Turntrans-64.1-16.1-173.927.4-36.9000115.2
99Q83.9Confident85.7Confident128 Ų12862.7 Ų62.760%0.59832%0.32SS*.THydrogen-bonded Turntrans-113.318.7171.5-50.9-177.422.500112.3L97 R102 S129L97-Q99 PolarHBondContact O-N 3.08Å; L97-Q99 VanDerWaalsContact O-N 3.11Å; Q99-R102 HydrophobicContact CB-CG 4.41Å; Q99-S129 PolarHBondContact N-OG 3.24Å
100G87.6Confident85.5Confident9 Ų957.8 Ų57.89%0.09332%0.317CS..  trans70.7-155.7-170.500000113L97 S129L97-G100 PolarHBondContact O-N 3.34Å; G100-S129 PolarHBondContact N-OG 2.9Å; G100-S129 VanDerWaalsContact O-CA 3.22Å; G100-S129 WeakPolarHBondContact O-CA 3.26Å; G100-S129 WeakPolarHBondContact O-CB 3.26Å; G100-S129 PolarHBondContact O-N 2.85Å; G100-S129 PolarHBondContact O-OG 3.47Å
101V92.1Very high85.5Confident5 Ų561.9 Ų61.93%0.0333%0.325CS..  trans-95.8103.8178.5179.80000108.8L84 L87 T88 L91 L97 I104 C127L84-V101 HydrophobicContact CD2-CG1 3.89Å; L87-V101 HydrophobicContact CB-CB 4.17Å; L87-V101 HydrophobicContact CB-CG1 4.19Å; L87-V101 HydrophobicContact CB-CG2 4.06Å; T88-V101 PolarHBondContact OG1-N 3.07Å; T88-V101 PolarHBondContact OG1-O 2.88Å; L91-V101 HydrophobicContact CB-CG2 4.25Å; L91-V101 HydrophobicContact CD1-CG2 4.19Å; L97-V101 HydrophobicContact CD1-CG2 3.93Å; V101-I104 HydrophobicContact CG1-CG1 4.35Å; V101-C127 HydrophobicContact CB-CB 4.32Å; V101-C127 HydrophobicContact CG1-CB 3.64Å; V101-C127 HydrophobicContact CG2-CB 3.73Å
102R91.3Very high85.9Confident129 Ų12967.4 Ų67.449%0.48735%0.349SS..  trans-98.9-28.7175.6-61.7-156.565.175.810.2113.2Q99 S128 S129Q99-R102 HydrophobicContact CB-CG 4.41Å; R102-S128 PolarHBondContact N-O 3.16Å; R102-S129 WeakPolarHBondContact CB-O 3.46Å; R102-S129 WeakPolarHBondContact CD-O 3.33Å; R102-S129 WeakPolarHBondContact CG-O 3.45Å
103Y91.6Very high86.6Confident66 Ų6663.8 Ų63.826%0.25932%0.324SS..EExtended strand (participates in β ladder)trans-138.1145.9-176.6-54.7-68.8000110.8Y105 C127 S128 N131Y103-Y105 HydrophobicContact CG-CE2 4.49Å; Y103-C127 WeakPolarHBondContact O-CA 3.49Å; Y103-S128 PolarHBondContact N-O 2.62Å; Y103-S128 PolarHBondContact O-N 3.4Å; Y103-N131 WeakPolarHBondContact CE2-ND2 3.46Å
104I93.3Very high87.2Confident0 Ų064.7 Ų64.70%034%0.341CS..EExtended strand (participates in β ladder)trans-115.7127172.6-61.8175000107.1F57 F80 L83 L84 L87 V101 K112 I113 Y125F57-I104 HydrophobicContact CD1-CG2 4.34Å; F57-I104 HydrophobicContact CE1-CD1 3.86Å; F57-I104 HydrophobicContact CE1-CG1 4.43Å; F57-I104 HydrophobicContact CE1-CG2 3.83Å; F57-I104 HydrophobicContact CZ-CD1 4.21Å; F80-I104 HydrophobicContact CE2-CD1 3.97Å; F80-I104 HydrophobicContact CZ-CB 4.16Å; F80-I104 HydrophobicContact CZ-CD1 3.79Å; F80-I104 HydrophobicContact CZ-CG1 4.18Å; L83-I104 HydrophobicContact CD2-CD1 4.04Å; L83-I104 HydrophobicContact CG-CD1 4.46Å; L84-I104 HydrophobicContact CD2-CD1 3.9Å; L84-I104 HydrophobicContact CD2-CG1 3.8Å; L87-I104 HydrophobicContact CD1-CD1 3.76Å; L87-I104 HydrophobicContact CD1-CG1 4.49Å; V101-I104 HydrophobicContact CG1-CG1 4.35Å; I104-K112 CarbonylContact O-C 3.53Å; I104-K112 WeakPolarHBondContact O-CA 3.48Å; I104-I113 HydrophobicContact CB-CB 4.34Å; I104-I113 HydrophobicContact CG2-CB 4.26Å; I104-I113 HydrophobicContact CG2-CG1 4.08Å; I104-I113 PolarHBondContact O-N 3.38Å; I104-Y125 HydrophobicContact CG2-CD1 4.16Å; I104-Y125 HydrophobicContact CG2-CG 4.17Å
105Y92.8Very high88Confident20 Ų2059.3 Ų59.38%0.07832%0.315CS..EExtended strand (participates in β ladder)trans-109.9154.5175.8-71.8-94.7000110.8Y103 R111 K112 Y125 V126 N131 F133Y103-Y105 HydrophobicContact CG-CE2 4.49Å; Y105-R111 WeakPolarHBondContact CA-O 3.06Å; Y105-K112 HydrophobicContact CD1-CB 4.11Å; Y105-K112 HydrophobicContact CE1-CB 3.86Å; Y105-Y125 CarbonylContact O-C 3.54Å; Y105-Y125 VanDerWaalsContact O-CA 3.26Å; Y105-Y125 WeakPolarHBondContact O-CA 3.28Å; Y105-Y125 WeakPolarHBondContact O-CB 3.18Å; Y105-V126 PolarHBondContact N-O 3.37Å; Y105-V126 PolarHBondContact O-N 3.39Å; Y105-N131 WeakPolarHBondContact OH-CA 3.47Å; Y105-N131 PolarHBondContact OH-O 2.89Å; Y105-F133 HydrophobicContact CG-CD2 4.19Å
106T92.6Very high88.4Confident14 Ų1453.2 Ų53.29%0.08628%0.283CS..EExtended strand (participates in β ladder)trans-57155.4161.548.50000111.2D108 G109 S110 R111 I113T106-D108 PolarHBondContact O-N 3.03Å; T106-G109 PolarHBondContact O-N 2.97Å; T106-S110 PolarHBondContact OG1-N 2.89Å; T106-R111 HydrophobicContact CG2-CG 3.58Å; T106-R111 PolarHBondContact N-O 2.69Å; T106-R111 PolarHBondContact OG1-N 2.95Å; T106-R111 PolarHBondContact OG1-O 3.48Å; T106-I113 HydrophobicContact CG2-CD1 4.09Å
107I88.6Confident88.8Confident37 Ų3757.7 Ų57.719%0.1931%0.307CS..THydrogen-bonded Turntrans-51-33.1178.8-16359.9000114.5Y58 S124 V126 Y138 T139Y58-I107 HydrophobicContact CD2-CD1 4.1Å; Y58-I107 HydrophobicContact CE2-CD1 4.16Å; I107-S124 WeakPolarHBondContact CB-O 3.48Å; I107-S124 PolarHBondContact N-O 2.87Å; I107-V126 HydrophobicContact CD1-CG2 4.01Å; I107-Y138 HydrophobicContact CD1-CD2 4.01Å; I107-Y138 HydrophobicContact CD1-CG 4.25Å; I107-T139 HydrophobicContact CD1-CG2 4.33Å; I107-T139 HydrophobicContact CG1-CG2 4.32Å
108D84.6Confident89.1Confident85 Ų8560.8 Ų60.846%0.45532%0.321SS..THydrogen-bonded Turntrans-83.5-7.3177.8-75.7-68.2000115.6T106 S110 K135T106-D108 PolarHBondContact O-N 3.03Å; D108-S110 WeakPolarHBondContact CB-OG 3.41Å; D108-S110 PolarHBondContact O-N 3.04Å; D108-K135 IonicContact OD1-NZ 2.63Å; D108-K135 PolarHBondContact OD1-NZ 3.11Å
109G86Confident89.5Confident17 Ų1756.5 Ų56.518%0.17529%0.293CS..SBendtrans77.3-7.2-173.100000115.4T106 R111 F133T106-G109 PolarHBondContact O-N 2.97Å; G109-R111 VanDerWaalsContact C-N 3.3Å; G109-R111 PolarHBondContact O-N 2.99Å; G109-F133 VanDerWaalsContact CA-CE1 3.48Å; G109-F133 VanDerWaalsContact CA-CZ 3.46Å; G109-F133 VanDerWaalsContact N-CZ 3.32Å
110S84.9Confident89.8Confident100 Ų10055.1 Ų55.170%0.69929%0.287SS*.SBendtrans-60.7-29.5-169.1-47.90000115.5T106 D108T106-S110 PolarHBondContact OG1-N 2.89Å; D108-S110 WeakPolarHBondContact CB-OG 3.41Å; D108-S110 PolarHBondContact O-N 3.04Å
111R89.6Confident89.7Confident133 Ų13357.2 Ų57.250%0.50229%0.294SS..  trans-144.4150.2172.164.8-177.6-176-87.23.3111.6Y105 T106 G109Y105-R111 WeakPolarHBondContact CA-O 3.06Å; T106-R111 HydrophobicContact CG2-CG 3.58Å; T106-R111 PolarHBondContact N-O 2.69Å; T106-R111 PolarHBondContact OG1-N 2.95Å; T106-R111 PolarHBondContact OG1-O 3.48Å; G109-R111 VanDerWaalsContact C-N 3.3Å; G109-R111 PolarHBondContact O-N 2.99Å
112K92.6Very high89.5Confident120 Ų12057.4 Ų57.452%0.52230%0.297SS..EExtended strand (participates in β ladder)trans-82.2144.5162.265.7-178.1178.6-176.50109.6I104 Y105I104-K112 CarbonylContact O-C 3.53Å; I104-K112 WeakPolarHBondContact O-CA 3.48Å; Y105-K112 HydrophobicContact CD1-CB 4.11Å; Y105-K112 HydrophobicContact CE1-CB 3.86Å
113I93.3Very high89.4Confident6 Ų654.1 Ų54.13%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-87.1131.3174.2-54.5-56.4000108.1F80 I104 T106 S115 E118 L119 Y125F80-I113 HydrophobicContact CE2-CB 4.42Å; F80-I113 HydrophobicContact CE2-CG2 3.83Å; F80-I113 HydrophobicContact CZ-CB 4.27Å; F80-I113 HydrophobicContact CZ-CG2 4.15Å; F80-I113 WeakPolarHBondContact CZ-O 3.35Å; I104-I113 HydrophobicContact CB-CB 4.34Å; I104-I113 HydrophobicContact CG2-CB 4.26Å; I104-I113 HydrophobicContact CG2-CG1 4.08Å; I104-I113 PolarHBondContact O-N 3.38Å; T106-I113 HydrophobicContact CG2-CD1 4.09Å; I113-S115 VanDerWaalsContact CG2-O 3.28Å; I113-S115 WeakPolarHBondContact CG2-O 3.32Å; I113-E118 HydrophobicContact CD1-CB 4.27Å; I113-E118 HydrophobicContact CG2-CB 3.81Å; I113-L119 HydrophobicContact CG1-CD2 4.45Å; I113-L119 HydrophobicContact CG2-CD2 3.99Å; I113-L119 HydrophobicContact CG2-CG 4.23Å; I113-Y125 HydrophobicContact CD1-CD1 4.24Å; I113-Y125 HydrophobicContact CD1-CE1 3.8Å; I113-Y125 HydrophobicContact CG1-CD1 3.83Å; I113-Y125 HydrophobicContact CG1-CE1 3.84Å
114G89.6Confident89.4Confident52 Ų5251.7 Ų51.754%0.53628%0.28SS..  trans-107.6-22.1177.900000114.4E118G114-E118 PolarHBondContact N-OE1 3.29Å; G114-E118 PolarHBondContact N-OE2 3.06Å
115S90.1Very high89.4Confident37 Ų3752 Ų5226%0.25928%0.282SS..SBendtrans-129.9166.4-171.367.20000113I113 D117 E118I113-S115 VanDerWaalsContact CG2-O 3.28Å; I113-S115 WeakPolarHBondContact CG2-O 3.32Å; S115-D117 VanDerWaalsContact C-N 3.27Å; S115-E118 WeakPolarHBondContact CB-OE1 3.27Å; S115-E118 PolarHBondContact N-OE1 2.92Å; S115-E118 VanDerWaalsContact OG-CG 3.29Å; S115-E118 WeakPolarHBondContact OG-CG 3.32Å; S115-E118 PolarHBondContact OG-N 3.49Å; S115-E118 PolarHBondContact OG-OE1 3.04Å
116M88.1Confident89.4Confident24 Ų2451 Ų5112%0.11828%0.278CS..SBendtrans-74.6-21.8173.1-148.269.295.700112.6K53 V72 F77 L83 L119K53-M116 PolarHBondContact NZ-O 2.99Å; V72-M116 HydrophobicContact CG1-CE 3.9Å; V72-M116 HydrophobicContact CG1-CG 3.88Å; V72-M116 HydrophobicContact CG1-SD 3.19Å; V72-M116 WeakPolarHBondContact CG1-SD 3.39Å; F77-M116 HydrophobicContact CB-CE 3.32Å; F77-M116 HydrophobicContact CD2-CE 4.12Å; F77-M116 HydrophobicContact CG-CE 3.98Å; L83-M116 HydrophobicContact CB-CE 4.2Å; L83-M116 HydrophobicContact CD2-CE 4.37Å; L83-M116 HydrophobicContact CD2-SD 3.79Å; M116-L119 PolarHBondContact O-N 3.1Å; M116-L119 HydrophobicContact SD-CD1 3.78Å
117D87.6Confident89.5Confident135 Ų13550.4 Ų50.472%0.72227%0.274SS*.THydrogen-bonded Turntrans-77.8-37.3-173.7-64.2-78.8000111.9K53 S115 L119K53-D117 PolarHBondContact NZ-O 3.24Å; S115-D117 VanDerWaalsContact C-N 3.27Å; D117-L119 PolarHBondContact O-N 3.18Å
118E90.2Very high89.6Confident68 Ų6848.8 Ų48.832%0.31827%0.266SS..THydrogen-bonded Turntrans-62.4-16.8169.7-75.2167.7-90.900115.1I113 G114 S115 Y125I113-E118 HydrophobicContact CD1-CB 4.27Å; I113-E118 HydrophobicContact CG2-CB 3.81Å; G114-E118 PolarHBondContact N-OE1 3.29Å; G114-E118 PolarHBondContact N-OE2 3.06Å; S115-E118 WeakPolarHBondContact CB-OE1 3.27Å; S115-E118 PolarHBondContact N-OE1 2.92Å; S115-E118 VanDerWaalsContact OG-CG 3.29Å; S115-E118 WeakPolarHBondContact OG-CG 3.32Å; S115-E118 PolarHBondContact OG-N 3.49Å; S115-E118 PolarHBondContact OG-OE1 3.04Å; E118-Y125 PolarHBondContact O-OH 3.22Å
119L90.1Very high89.8Confident1 Ų145.1 Ų45.11%0.00525%0.247CC..  trans-73.7132.4171-63.8175.4000109.3K53 V55 V72 L83 I113 M116 D117 Y125K53-L119 HydrophobicContact CD-CB 4.22Å; K53-L119 WeakPolarHBondContact CD-O 3.22Å; K53-L119 WeakPolarHBondContact CE-O 3.42Å; K53-L119 PolarHBondContact NZ-O 2.91Å; V55-L119 HydrophobicContact CG1-CB 4.49Å; V72-L119 HydrophobicContact CG1-CD1 3.91Å; L83-L119 HydrophobicContact CD2-CD1 3.83Å; I113-L119 HydrophobicContact CG1-CD2 4.45Å; I113-L119 HydrophobicContact CG2-CD2 3.99Å; I113-L119 HydrophobicContact CG2-CG 4.23Å; M116-L119 PolarHBondContact O-N 3.1Å; M116-L119 HydrophobicContact SD-CD1 3.78Å; D117-L119 PolarHBondContact O-N 3.18Å; L119-Y125 WeakPolarHBondContact CA-OH 3.36Å; L119-Y125 HydrophobicContact CD2-CD1 4.03Å; L119-Y125 HydrophobicContact CD2-CD2 3.96Å; L119-Y125 HydrophobicContact CD2-CE1 3.8Å; L119-Y125 HydrophobicContact CD2-CE2 3.72Å; L119-Y125 HydrophobicContact CD2-CG 4.12Å
120E88.6Confident89.7Confident99 Ų9948.2 Ų48.246%0.46326%0.259SS..  trans-110.7147.4179-83.2-175.4-132.400111.1V55 G122 E123 Y125 K151V55-E120 VanDerWaalsContact CG1-O 3.32Å; V55-E120 WeakPolarHBondContact CG1-O 3.37Å; E120-G122 PolarHBondContact O-N 2.9Å; E120-E123 HydrophobicContact CB-CB 4.03Å; E120-E123 HydrophobicContact CB-CG 3.56Å; E120-E123 PolarHBondContact O-N 2.75Å; E120-Y125 PolarHBondContact N-OH 3.4Å; E120-K151 IonicContact OE2-NZ 2.6Å
121E87.3Confident89.4Confident53 Ų5347.1 Ų47.125%0.24825%0.246CC..THydrogen-bonded Turntrans-68133.7176.5-151.1-170.215700110.8K51 K54 E123 V150K51-E121 VanDerWaalsContact CE-OE2 3.28Å; K51-E121 WeakPolarHBondContact CE-OE2 3.11Å; K51-E121 IonicContact NZ-OE2 3.03Å; K51-E121 PolarHBondContact NZ-OE2 3.28Å; K54-E121 HydrophobicContact CB-CG 4.34Å; E121-E123 VanDerWaalsContact C-N 3.27Å; E121-E123 PolarHBondContact O-N 3.43Å; E121-V150 HydrophobicContact CB-CG1 4.24Å; E121-V150 HydrophobicContact CB-CG2 3.96Å; E121-V150 HydrophobicContact CG-CG2 3.63Å; E121-V150 WeakPolarHBondContact O-CG1 3.13Å
122G86.4Confident89Confident9 Ų947.3 Ų47.39%0.09325%0.25CS..THydrogen-bonded Turntrans78.41.1-178.200000115.4K54 E120 W146K54-G122 WeakPolarHBondContact O-CA 3.37Å; K54-G122 PolarHBondContact O-N 2.83Å; E120-G122 PolarHBondContact O-N 2.9Å; G122-W146 VanDerWaalsContact C-CH2 3.43Å; G122-W146 WeakPolarHBondContact O-CH2 3.45Å; G122-W146 WeakPolarHBondContact O-CZ2 3.39Å
123E90Very high88.6Confident61 Ų6143.5 Ų43.529%0.28523%0.234SC..  trans-86.3158.1-179.4-77.3-52.5137.800115R56 E120 E121 Y125 W146 K151R56-E123 PolarHBondContact N-O 3.23Å; E120-E123 HydrophobicContact CB-CB 4.03Å; E120-E123 HydrophobicContact CB-CG 3.56Å; E120-E123 PolarHBondContact O-N 2.75Å; E121-E123 VanDerWaalsContact C-N 3.27Å; E121-E123 PolarHBondContact O-N 3.43Å; E123-Y125 HydrophobicContact CB-CD2 4.49Å; E123-Y125 HydrophobicContact CB-CE2 3.56Å; E123-W146 WeakPolarHBondContact O-CH2 3.25Å; E123-K151 WeakPolarHBondContact OE1-CE 3.32Å; E123-K151 IonicContact OE1-NZ 2.85Å; E123-K151 PolarHBondContact OE1-NZ 2.59Å
124S92.2Very high88.3Confident15 Ų1548.6 Ų48.611%0.10526%0.256CS..EExtended strand (participates in β ladder)trans-108.5135.3-178.3-66.70000111.8R56 I107R56-S124 WeakPolarHBondContact O-CA 3.43Å; I107-S124 WeakPolarHBondContact CB-O 3.48Å; I107-S124 PolarHBondContact N-O 2.87Å
125Y93.2Very high87.9Confident6 Ų653 Ų532%0.02426%0.26CS..EExtended strand (participates in β ladder)trans-135.7153.9-175.5-61.2-84.5000111V55 R56 F57 Y58 I104 Y105 I113 E118 L119 E120 E123V55-Y125 HydrophobicContact CB-CD2 4.14Å; V55-Y125 HydrophobicContact CB-CE2 4.21Å; V55-Y125 HydrophobicContact CG1-CD2 4.25Å; V55-Y125 HydrophobicContact CG1-CE2 3.84Å; R56-Y125 PolarHBondContact O-N 2.89Å; F57-Y125 CarbonylContact C-O 3.45Å; F57-Y125 WeakPolarHBondContact CA-O 3.43Å; F57-Y125 HydrophobicContact CE1-CD2 4.31Å; F57-Y125 HydrophobicContact CE1-CG 4.23Å; Y58-Y125 PolarHBondContact N-O 3.34Å; I104-Y125 HydrophobicContact CG2-CD1 4.16Å; I104-Y125 HydrophobicContact CG2-CG 4.17Å; Y105-Y125 CarbonylContact O-C 3.54Å; Y105-Y125 VanDerWaalsContact O-CA 3.26Å; Y105-Y125 WeakPolarHBondContact O-CA 3.28Å; Y105-Y125 WeakPolarHBondContact O-CB 3.18Å; I113-Y125 HydrophobicContact CD1-CD1 4.24Å; I113-Y125 HydrophobicContact CD1-CE1 3.8Å; I113-Y125 HydrophobicContact CG1-CD1 3.83Å; I113-Y125 HydrophobicContact CG1-CE1 3.84Å; E118-Y125 PolarHBondContact O-OH 3.22Å; L119-Y125 WeakPolarHBondContact CA-OH 3.36Å; L119-Y125 HydrophobicContact CD2-CD1 4.03Å; L119-Y125 HydrophobicContact CD2-CD2 3.96Å; L119-Y125 HydrophobicContact CD2-CE1 3.8Å; L119-Y125 HydrophobicContact CD2-CE2 3.72Å; L119-Y125 HydrophobicContact CD2-CG 4.12Å; E120-Y125 PolarHBondContact N-OH 3.4Å; E123-Y125 HydrophobicContact CB-CD2 4.49Å; E123-Y125 HydrophobicContact CB-CE2 3.56Å
126V92.8Very high87.6Confident0 Ų053.3 Ų53.30%026%0.26CS..EExtended strand (participates in β ladder)trans-117.2117.8-177.7-177.30000109.5N60 Y105 I107 F133 Y138N60-V126 HydrophobicContact CB-CG1 4.01Å; Y105-V126 PolarHBondContact N-O 3.37Å; Y105-V126 PolarHBondContact O-N 3.39Å; I107-V126 HydrophobicContact CD1-CG2 4.01Å; V126-F133 HydrophobicContact CB-CE2 3.93Å; V126-F133 HydrophobicContact CG1-CD2 4.45Å; V126-F133 HydrophobicContact CG1-CE2 4.03Å; V126-F133 HydrophobicContact CG2-CE2 3.97Å; V126-Y138 HydrophobicContact CG1-CE1 4.47Å; V126-Y138 HydrophobicContact CG1-CE2 4.21Å; V126-Y138 HydrophobicContact CG2-CD2 3.82Å; V126-Y138 HydrophobicContact CG2-CE2 3.69Å; V126-Y138 HydrophobicContact CG2-CG 4.42Å
127C93Very high87.2Confident0 Ų057.9 Ų57.90%028%0.281CS..EExtended strand (participates in β ladder)trans-82.3137.9176-66.10000110.7F57 Y58 N60 L91 V101 Y103F57-C127 VanDerWaalsContact CD1-SG 3.58Å; Y58-C127 WeakPolarHBondContact O-CB 3.23Å; Y58-C127 PolarHBondContact O-N 3Å; N60-C127 VanDerWaalsContact CB-O 3.27Å; N60-C127 WeakPolarHBondContact CB-O 3.33Å; N60-C127 PolarHBondContact N-O 2.92Å; L91-C127 HydrophobicContact CD1-CB 3.81Å; L91-C127 VanDerWaalsContact CD1-SG 3.58Å; V101-C127 HydrophobicContact CB-CB 4.32Å; V101-C127 HydrophobicContact CG1-CB 3.64Å; V101-C127 HydrophobicContact CG2-CB 3.73Å; Y103-C127 WeakPolarHBondContact O-CA 3.49Å
128S91.4Very high86.9Confident4 Ų452 Ų523%0.02825%0.249CC..EExtended strand (participates in β ladder)trans-138147.6-179.9-169.10000112N60 R102 Y103 D130N60-S128 PolarHBondContact ND2-OG 2.86Å; R102-S128 PolarHBondContact N-O 3.16Å; Y103-S128 PolarHBondContact N-O 2.62Å; Y103-S128 PolarHBondContact O-N 3.4Å; S128-D130 VanDerWaalsContact CB-O 3.3Å; S128-D130 WeakPolarHBondContact CB-O 3.14Å; S128-D130 PolarHBondContact OG-N 3.01Å; S128-D130 PolarHBondContact OG-O 3.28Å
129S89Confident86.4Confident7 Ų751.7 Ų51.75%0.04925%0.252CS..SBendtrans-76.4-30.1167.2-68.20000113.1L97 Q99 G100 R102L97-S129 WeakPolarHBondContact CA-OG 3.11Å; L97-S129 PolarHBondContact O-OG 2.82Å; Q99-S129 PolarHBondContact N-OG 3.24Å; G100-S129 PolarHBondContact N-OG 2.9Å; G100-S129 VanDerWaalsContact O-CA 3.22Å; G100-S129 WeakPolarHBondContact O-CA 3.26Å; G100-S129 WeakPolarHBondContact O-CB 3.26Å; G100-S129 PolarHBondContact O-N 2.85Å; G100-S129 PolarHBondContact O-OG 3.47Å; R102-S129 WeakPolarHBondContact CB-O 3.46Å; R102-S129 WeakPolarHBondContact CD-O 3.33Å; R102-S129 WeakPolarHBondContact CG-O 3.45Å
130D83.3Confident85.5Confident82 Ų8258.6 Ų58.644%0.43928%0.282SS..SBendtrans-130.7167-171.917745.3000110.9S128 F132S128-D130 VanDerWaalsContact CB-O 3.3Å; S128-D130 WeakPolarHBondContact CB-O 3.14Å; S128-D130 PolarHBondContact OG-N 3.01Å; S128-D130 PolarHBondContact OG-O 3.28Å; D130-F132 PolarHBondContact O-N 3.44Å; D130-F132 WeakPolarHBondContact OD2-CB 3.27Å; D130-F132 PolarHBondContact OD2-N 3.45Å
131N79.4Confident84.5Confident78 Ų7860.3 Ų60.342%0.41730%0.295SS..SBendtrans-71-13.4-178.8-62.3-89.7000113.2Y103 Y105 F133Y103-N131 WeakPolarHBondContact CE2-ND2 3.46Å; Y105-N131 WeakPolarHBondContact OH-CA 3.47Å; Y105-N131 PolarHBondContact OH-O 2.89Å; N131-F133 PolarHBondContact O-N 2.98Å
132F81Confident83.9Confident137 Ų13759 Ų5960%0.60129%0.29SS*.  trans-78.698.8179-168.9-93.4000113.4N60 D130 K134N60-F132 PolarHBondContact ND2-O 2.76Å; D130-F132 PolarHBondContact O-N 3.44Å; D130-F132 WeakPolarHBondContact OD2-CB 3.27Å; D130-F132 PolarHBondContact OD2-N 3.45Å; F132-K134 HydrophobicContact CD1-CG 3.97Å; F132-K134 HydrophobicContact CE1-CG 3.81Å
133F84.4Confident83.3Confident40 Ų4063.3 Ų63.318%0.17531%0.311CS..  trans-76.4127.4175178.3-94.7000112.6Y105 G109 V126 N131 K135 Y138Y105-F133 HydrophobicContact CG-CD2 4.19Å; G109-F133 VanDerWaalsContact CA-CE1 3.48Å; G109-F133 VanDerWaalsContact CA-CZ 3.46Å; G109-F133 VanDerWaalsContact N-CZ 3.32Å; V126-F133 HydrophobicContact CB-CE2 3.93Å; V126-F133 HydrophobicContact CG1-CD2 4.45Å; V126-F133 HydrophobicContact CG1-CE2 4.03Å; V126-F133 HydrophobicContact CG2-CE2 3.97Å; N131-F133 PolarHBondContact O-N 2.98Å; F133-K135 HydrophobicContact CD1-CB 4.43Å; F133-K135 HydrophobicContact CE1-CB 3.74Å; F133-K135 HydrophobicContact CE1-CG 4.16Å; F133-Y138 HydrophobicContact CE2-CE2 4.39Å; F133-Y138 HydrophobicContact CZ-CE2 4.16Å
134K85.8Confident82.5Confident112 Ų11265 Ų6549%0.48733%0.327SS..  trans-98.9114.8171.1-65.4171.9-179.4173.20109.2N60 F132 V136 Y138N60-K134 WeakPolarHBondContact OD1-CB 3.3Å; N60-K134 PolarHBondContact OD1-N 2.87Å; F132-K134 HydrophobicContact CD1-CG 3.97Å; F132-K134 HydrophobicContact CE1-CG 3.81Å; K134-V136 HydrophobicContact CB-CG2 4.49Å; K134-V136 PolarHBondContact O-N 2.85Å; K134-Y138 PolarHBondContact O-OH 2.94Å
135K81.8Confident81.5Confident145 Ų14568.6 Ų68.663%0.6335%0.345SS*.  trans-73.4115.9173.8-164.8159.4-170.21560109.9D108 F133D108-K135 IonicContact OD1-NZ 2.63Å; D108-K135 PolarHBondContact OD1-NZ 3.11Å; F133-K135 HydrophobicContact CD1-CB 4.43Å; F133-K135 HydrophobicContact CE1-CB 3.74Å; F133-K135 HydrophobicContact CE1-CG 4.16Å
136V84.7Confident80.6Confident43 Ų4369.5 Ų69.526%0.26135%0.348SS..  trans-132.3153.9178.4-179.60000107.4R63 K134 Y138R63-V136 HydrophobicContact CB-CG1 3.61Å; K134-V136 HydrophobicContact CB-CG2 4.49Å; K134-V136 PolarHBondContact O-N 2.85Å; V136-Y138 HydrophobicContact CB-CD1 4.29Å; V136-Y138 HydrophobicContact CB-CD2 4.41Å; V136-Y138 HydrophobicContact CB-CE1 3.88Å; V136-Y138 HydrophobicContact CB-CE2 3.99Å; V136-Y138 HydrophobicContact CG1-CE1 4.41Å; V136-Y138 HydrophobicContact CG2-CE1 4.5Å; V136-Y138 WeakPolarHBondContact O-CD2 3.42Å; V136-Y138 WeakPolarHBondContact O-CE2 3.45Å; V136-Y138 PolarHBondContact O-N 2.7Å
137E80.1Confident79.6Confident120 Ų12070.4 Ų70.456%0.56136%0.355SS*.  trans-77.361.3-179.9-160.682.7-97.600112T139 K140E137-T139 PolarHBondContact O-N 3.13Å; E137-K140 HydrophobicContact CB-CB 4.19Å; E137-K140 HydrophobicContact CB-CD 4.3Å; E137-K140 HydrophobicContact CG-CB 3.49Å; E137-K140 VanDerWaalsContact CG-CB 3.49Å; E137-K140 HydrophobicContact CG-CD 3.76Å; E137-K140 HydrophobicContact CG-CG 3.65Å; E137-K140 PolarHBondContact O-N 3.23Å; E137-K140 VanDerWaalsContact O-N 3.16Å
138Y80.1Confident77.8Confident12 Ų1275.6 Ų75.65%0.04739%0.387CS..THydrogen-bonded Turntrans-53.5-29.8-172.9-64.1-68.1000113.9Y58 R59 G61 D62 I107 V126 F133 K134 V136Y58-Y138 HydrophobicContact CD1-CD1 4.21Å; Y58-Y138 HydrophobicContact CD1-CG 4.38Å; Y58-Y138 WeakPolarHBondContact CE1-O 3.49Å; Y58-Y138 HydrophobicContact CG-CD1 4.29Å; Y58-Y138 HydrophobicContact CG-CG 4.35Å; R59-Y138 WeakPolarHBondContact O-CE1 3.31Å; G61-Y138 PolarHBondContact N-OH 3.03Å; D62-Y138 WeakPolarHBondContact O-CD1 3.05Å; D62-Y138 WeakPolarHBondContact O-CE1 3.42Å; I107-Y138 HydrophobicContact CD1-CD2 4.01Å; I107-Y138 HydrophobicContact CD1-CG 4.25Å; V126-Y138 HydrophobicContact CG1-CE1 4.47Å; V126-Y138 HydrophobicContact CG1-CE2 4.21Å; V126-Y138 HydrophobicContact CG2-CD2 3.82Å; V126-Y138 HydrophobicContact CG2-CE2 3.69Å; V126-Y138 HydrophobicContact CG2-CG 4.42Å; F133-Y138 HydrophobicContact CE2-CE2 4.39Å; F133-Y138 HydrophobicContact CZ-CE2 4.16Å; K134-Y138 PolarHBondContact O-OH 2.94Å; V136-Y138 HydrophobicContact CB-CD1 4.29Å; V136-Y138 HydrophobicContact CB-CD2 4.41Å; V136-Y138 HydrophobicContact CB-CE1 3.88Å; V136-Y138 HydrophobicContact CB-CE2 3.99Å; V136-Y138 HydrophobicContact CG1-CE1 4.41Å; V136-Y138 HydrophobicContact CG2-CE1 4.5Å; V136-Y138 WeakPolarHBondContact O-CD2 3.42Å; V136-Y138 WeakPolarHBondContact O-CE2 3.45Å; V136-Y138 PolarHBondContact O-N 2.7Å
139T80.6Confident75.8Confident62 Ų6282.9 Ų82.938%0.3843%0.425SS..THydrogen-bonded Turntrans-96.7-7.5-175.252.80000114.8I107 E137 N141 V142I107-T139 HydrophobicContact CD1-CG2 4.33Å; I107-T139 HydrophobicContact CG1-CG2 4.32Å; E137-T139 PolarHBondContact O-N 3.13Å; T139-N141 PolarHBondContact O-N 2.9Å; T139-V142 PolarHBondContact O-N 3.45Å
140K69.7Low74.1Confident145 Ų14584.4 Ų84.463%0.6343%0.434SS*.THydrogen-bonded Turntrans-50.4-34.1-166.2-149.8174.8-157.5150.90115.6E137E137-K140 HydrophobicContact CB-CB 4.19Å; E137-K140 HydrophobicContact CB-CD 4.3Å; E137-K140 HydrophobicContact CG-CB 3.49Å; E137-K140 VanDerWaalsContact CG-CB 3.49Å; E137-K140 HydrophobicContact CG-CD 3.76Å; E137-K140 HydrophobicContact CG-CG 3.65Å; E137-K140 PolarHBondContact O-N 3.23Å; E137-K140 VanDerWaalsContact O-N 3.16Å
141N67.6Low72.5Confident136 Ų13685.3 Ų85.373%0.72743%0.434SS*.THydrogen-bonded Turntrans-12821.3-174.9-54.1112.7000112.2T139T139-N141 PolarHBondContact O-N 2.9Å
142V76.4Confident70.5Confident26 Ų2689.1 Ų89.116%0.15846%0.461CS..  trans-108.1116.7177.6-175.10000108.6Y58 K66 T139Y58-V142 HydrophobicContact CE1-CG2 4.27Å; K66-V142 HydrophobicContact CB-CG2 3.93Å; K66-V142 HydrophobicContact CG-CG2 4.23Å; T139-V142 PolarHBondContact O-N 3.45Å
143N72.7Confident68.5Low99 Ų9987.1 Ų87.153%0.52946%0.463SS..  trans-68.2129.6175.5-171.7-36.3000109.1N145N143-N145 WeakPolarHBondContact CB-OD1 3.27Å; N143-N145 VanDerWaalsContact CG-CG 3.43Å; N143-N145 PolarHBondContact O-N 3.13Å; N143-N145 PolarHBondContact O-OD1 3.35Å; N143-N145 VanDerWaalsContact OD1-CB 3.25Å; N143-N145 WeakPolarHBondContact OD1-CB 3.24Å; N143-N145 VanDerWaalsContact OD1-CG 3.28Å; N143-N145 PolarHBondContact OD1-N 2.76Å; N143-N145 PolarHBondContact OD1-OD1 3.1Å
144P72.4Confident66.7Low95 Ų9590.3 Ų90.362%0.61750%0.497SS*.G310 helixtrans-63.5-8.5177.726.2-35.4000113.4W146 S147P144-W146 PolarHBondContact O-N 2.78Å; P144-S147 PolarHBondContact O-N 3.15Å; P144-S147 VanDerWaalsContact O-N 3.1Å; P144-S147 PolarHBondContact O-OG 2.89Å; P144-S147 VanDerWaalsContact O-OG 3.06Å
145N72.8Confident64.8Low91 Ų9191.4 Ų91.449%0.48751%0.508SS..G310 helixtrans-58.1-8.217674.4-12.2000115.4N143 S147 V148N143-N145 WeakPolarHBondContact CB-OD1 3.27Å; N143-N145 VanDerWaalsContact CG-CG 3.43Å; N143-N145 PolarHBondContact O-N 3.13Å; N143-N145 PolarHBondContact O-OD1 3.35Å; N143-N145 VanDerWaalsContact OD1-CB 3.25Å; N143-N145 WeakPolarHBondContact OD1-CB 3.24Å; N143-N145 VanDerWaalsContact OD1-CG 3.28Å; N143-N145 PolarHBondContact OD1-N 2.76Å; N143-N145 PolarHBondContact OD1-OD1 3.1Å; N145-S147 PolarHBondContact O-N 2.89Å; N145-V148 HydrophobicContact CB-CG1 4.02Å; N145-V148 WeakPolarHBondContact O-CG1 3.22Å; N145-V148 VanDerWaalsContact O-CG2 3.27Å; N145-V148 WeakPolarHBondContact O-CG2 3.43Å; N145-V148 PolarHBondContact O-N 2.97Å
146W73.8Confident63Low25 Ų2593 Ų9310%0.09552%0.52CS..G310 helixtrans-62.7-25171.373.6-94.5000112.8K54 V55 R56 V69 G122 E123 P144K54-W146 WeakPolarHBondContact CE-O 3.36Å; K54-W146 HydrophobicContact CG-CZ3 4.35Å; K54-W146 PolarHBondContact NZ-O 2.74Å; V55-W146 VanDerWaalsContact C-CH2 3.49Å; V55-W146 VanDerWaalsContact C-CZ3 3.41Å; R56-W146 HydrophobicContact CB-CD2 4.05Å; R56-W146 HydrophobicContact CB-CE3 4.09Å; R56-W146 HydrophobicContact CB-CH2 3.57Å; R56-W146 HydrophobicContact CB-CZ2 3.47Å; R56-W146 VanDerWaalsContact CB-CZ2 3.47Å; R56-W146 HydrophobicContact CB-CZ3 3.87Å; R56-W146 VanDerWaalsContact N-CH2 3.31Å; R56-W146 VanDerWaalsContact NE-CG 3.27Å; V69-W146 HydrophobicContact CB-CE3 4.48Å; V69-W146 HydrophobicContact CG1-CE3 3.92Å; V69-W146 HydrophobicContact CG1-CZ3 4.26Å; V69-W146 HydrophobicContact CG2-CB 4.12Å; V69-W146 HydrophobicContact CG2-CD2 4.24Å; V69-W146 HydrophobicContact CG2-CE3 3.8Å; V69-W146 HydrophobicContact CG2-CG 4.39Å; G122-W146 VanDerWaalsContact C-CH2 3.43Å; G122-W146 WeakPolarHBondContact O-CH2 3.45Å; G122-W146 WeakPolarHBondContact O-CZ2 3.39Å; E123-W146 WeakPolarHBondContact O-CH2 3.25Å; P144-W146 PolarHBondContact O-N 2.78Å
147S71.9Confident60.8Low20 Ų20100.2 Ų100.214%0.1455%0.548CS..G310 helixtrans-103.92617955.50000114.3P144 N145 N149 V150P144-S147 PolarHBondContact O-N 3.15Å; P144-S147 VanDerWaalsContact O-N 3.1Å; P144-S147 PolarHBondContact O-OG 2.89Å; P144-S147 VanDerWaalsContact O-OG 3.06Å; N145-S147 PolarHBondContact O-N 2.89Å; S147-N149 VanDerWaalsContact C-N 3.27Å; S147-N149 PolarHBondContact O-N 2.82Å; S147-V150 PolarHBondContact O-N 2.71Å; S147-V150 VanDerWaalsContact O-N 3.16Å
148V53.9Low58.9Low109 Ų10998.7 Ų98.766%0.66156%0.556SS**THydrogen-bonded Turntrans-59.278177.8-75.40000115.1N145N145-V148 HydrophobicContact CB-CG1 4.02Å; N145-V148 WeakPolarHBondContact O-CG1 3.22Å; N145-V148 VanDerWaalsContact O-CG2 3.27Å; N145-V148 WeakPolarHBondContact O-CG2 3.43Å; N145-V148 PolarHBondContact O-N 2.97Å
149N50.1Low57.1Low156 Ų156104.2 Ų104.283%0.83459%0.593SS**THydrogen-bonded Turntrans-168-9.7136.1-146.3103.9000110.2S147S147-N149 VanDerWaalsContact C-N 3.27Å; S147-N149 PolarHBondContact O-N 2.82Å
150V53.5Low55Low40 Ų40109.3 Ų109.324%0.24261%0.613CS.*SBendtrans-88.6134.4179.6-152.50000110.5E121 S147E121-V150 HydrophobicContact CB-CG1 4.24Å; E121-V150 HydrophobicContact CB-CG2 3.96Å; E121-V150 HydrophobicContact CG-CG2 3.63Å; E121-V150 WeakPolarHBondContact O-CG1 3.13Å; S147-V150 PolarHBondContact O-N 2.71Å; S147-V150 VanDerWaalsContact O-N 3.16Å
151K49.8Very low53.9Low101 Ų101108.2 Ų108.244%0.43962%0.623SS.*  trans47.367.416855.4-169.1151.4-168.90117.1E120 E123 S153E120-K151 IonicContact OE2-NZ 2.6Å; E123-K151 WeakPolarHBondContact OE1-CE 3.32Å; E123-K151 IonicContact OE1-NZ 2.85Å; E123-K151 PolarHBondContact OE1-NZ 2.59Å; K151-S153 PolarHBondContact O-N 3.01Å
152T37.2Very low52.5Low158 Ų158109 Ų10997%0.96963%0.626SS**  -68.154.5128.9-45.20000109.2
153S39.1Very low50.8Low94 Ų94112 Ų11266%0.65766%0.655SS**  trans-98118.2-175.6-167.90000108.9K151 N155K151-S153 PolarHBondContact O-N 3.01Å; S153-N155 PolarHBondContact O-N 2.63Å
154A46.8Very low49.2Very low107 Ų107113 Ų11388%0.88467%0.669SS**  trans-78.185.1-173.400000111.8
155N45.1Very low47.6Very low136 Ų136113.2 Ų113.273%0.72767%0.673SS**  trans-155.965.2155.6-168.323000114.3S153S153-N155 PolarHBondContact O-N 2.63Å
156M44.5Very low46.2Very low177 Ų177116.7 Ų116.787%0.87269%0.691SS**SBendtrans-142.3105.5149.2-80.6-56156.200109.3A158M156-A158 PolarHBondContact O-N 2.92Å
157K39Very low44.3Very low196 Ų196120.8 Ų120.885%0.85272%0.724SS**  trans9.298.5168.6-63.1179.4-179.6179.30115.6P159K157-P159 WeakPolarHBondContact O-CD 3.45Å
158A39Very low42.9Very low87 Ų87124.3 Ų124.372%0.71975%0.754SS**PPolyproline II helixtrans-57.7125.8156.500000108.5M156 Q160M156-A158 PolarHBondContact O-N 2.92Å; A158-Q160 PolarHBondContact O-N 3.25Å; A158-Q160 VanDerWaalsContact O-N 3.16Å
159P42.4Very low42.1Very low128 Ų128128.4 Ų128.483%0.83177%0.766SS**PPolyproline II helixtrans-61.7118.9170.9-20.333.1000108.4K157K157-P159 WeakPolarHBondContact O-CD 3.45Å
160Q36.9Very low41.6Very low170 Ų170125.1 Ų125.179%0.79476%0.761SS**PPolyproline II helixtrans-61.7140.1180-72.4173.2-34.400110.1A158 L162A158-Q160 PolarHBondContact O-N 3.25Å; A158-Q160 VanDerWaalsContact O-N 3.16Å; Q160-L162 PolarHBondContact O-N 3.47Å
161S46.8Very low41Very low122 Ų122134.3 Ų134.385%0.85379%0.791SS**  trans-68.797.4172.851.30000109.8
162L39.2Very low40.7Very low151 Ų151137.1 Ų137.179%0.79181%0.806SS**  trans-116.8123.3166.3-67.9176.9000109Q160Q160-L162 PolarHBondContact O-N 3.47Å
163A40.8Very low41Very low91 Ų91136.6 Ų136.675%0.75280%0.797SS**  trans-80.2166.516900000110.4
164S38.2Very low41.4Very low120 Ų120141.1 Ų141.184%0.83981%0.805SS**  trans69.3130.8-179.4-51.10000113.6
165S38.7Very low41.8Very low99 Ų99140.5 Ų140.569%0.69279%0.787SS**  cis-160.3154.811.849.80000112.3
166N43.6Very low42.1Very low163 Ų163141.6 Ų141.687%0.87279%0.786SS**  trans44.481.9151.4-61.30.4000119.1
167S33.2Very low42.9Very low112 Ų112137.4 Ų137.478%0.78377%0.77SS**  trans-146.988.8143.651.80000111.5
168A43.1Very low44.2Very low94 Ų94138.4 Ų138.478%0.77777%0.768SS**  trans-67.5167.7160.800000110.1
169Q38.1Very low46.2Very low194 Ų194137 Ų13791%0.90775%0.752SS**SBendtrans67.348.8176.4-54-175.7-22.800116.5
170A37.8Very low48.2Very low88 Ų88132.5 Ų132.573%0.72772%0.719SS**  trans-149-8.2168.400000117.2
171R41.3Very low50.6Low232 Ų232127.8 Ų127.888%0.87570%0.699SS**  trans-88.6-16.9-163.2-93.7-173.9176-171.2-0.7117N173R171-N173 PolarHBondContact O-N 2.89Å
172E44.4Very low52.6Low160 Ų160122 Ų12275%0.74866%0.658SS**THydrogen-bonded Turntrans-82.1-14.1-158.1-64.2171.9-127.900114.9
173N43Very low55Low147 Ų147115.5 Ų115.579%0.78663%0.625SS**THydrogen-bonded Turntrans-103.132-175.6-80.5-41.9000114.6R171R171-N173 PolarHBondContact O-N 2.89Å
174K48.4Very low57.3Low189 Ų189111.2 Ų111.282%0.82259%0.59SS**  trans-1110.7176.9-93.3-169.2173.4-177.70117F176K174-F176 PolarHBondContact O-N 2.7Å
175D53.5Low59.6Low94 Ų94105.7 Ų105.750%0.50355%0.55SS.*  trans-82.252.3179.8-60.1-39.8000113.4V177 K201D175-V177 PolarHBondContact O-N 2.77Å; D175-V177 VanDerWaalsContact O-N 3.16Å; D175-K201 HydrophobicContact CB-CD 3.53Å; D175-K201 IonicContact OD2-NZ 2.63Å; D175-K201 PolarHBondContact OD2-NZ 2.76Å
176F52.5Low61.7Low160 Ų160104 Ų10470%0.70253%0.529SS*.  trans-79.2100.7-179.4-95-99.8000112.2K174 R178K174-F176 PolarHBondContact O-N 2.7Å; F176-R178 PolarHBondContact O-N 3.44Å
177V61.5Low63.1Low89 Ų8997.8 Ų97.854%0.53950%0.498SS..SBendtrans62.533.4158.2-146.60000115.7D175 K202D175-V177 PolarHBondContact O-N 2.77Å; D175-V177 VanDerWaalsContact O-N 3.16Å; V177-K202 HydrophobicContact CG2-CD 3.93Å
178R66.7Low64.9Low216 Ų21693.3 Ų93.382%0.81547%0.47SS*.PPolyproline II helixtrans-101118160-173.3175.3-64.31413.2109.6F176F176-R178 PolarHBondContact O-N 3.44Å
179P79.4Confident65.8Low58 Ų5895 Ų9538%0.37747%0.47SS..PPolyproline II helixtrans-73.3143.1169.131.7-34.1000110.8L198 L199 N200P179-L198 HydrophobicContact CB-CD1 3.77Å; P179-L198 HydrophobicContact CB-CD2 4.27Å; P179-L198 HydrophobicContact CB-CG 3.81Å; P179-L198 HydrophobicContact CG-CD1 4.08Å; P179-L198 HydrophobicContact CG-CD2 4.34Å; P179-L198 HydrophobicContact CG-CG 4.33Å; P179-L199 CarbonylContact C-O 3.5Å; P179-L199 VanDerWaalsContact CA-O 3.28Å; P179-L199 WeakPolarHBondContact CA-O 3.35Å; P179-N200 HydrophobicContact CB-CB 4.23Å
180K85.1Confident66.7Low34 Ų3490.9 Ų90.915%0.14845%0.449CS..EExtended strand (participates in β ladder)trans-99.9140.1175.4-174.5178.4174.1-172.80109.4V182 L198 L199 F242 F243 G244 D246 D247K180-V182 HydrophobicContact CD-CG1 4.18Å; K180-V182 HydrophobicContact CG-CG1 4.16Å; K180-L198 CarbonylContact O-C 3.08Å; K180-L199 PolarHBondContact N-O 2.63Å; K180-L199 PolarHBondContact O-N 2.86Å; K180-F242 WeakPolarHBondContact CD-O 3.42Å; K180-F242 WeakPolarHBondContact CE-O 3.26Å; K180-F242 PolarHBondContact NZ-O 2.7Å; K180-F243 HydrophobicContact CB-CD1 4.13Å; K180-F243 HydrophobicContact CB-CE1 4.17Å; K180-F243 HydrophobicContact CD-CD1 4.25Å; K180-G244 PolarHBondContact NZ-O 2.88Å; K180-D246 WeakPolarHBondContact CE-O 3.33Å; K180-D246 PolarHBondContact NZ-O 3.15Å; K180-D247 WeakPolarHBondContact CE-OD1 3.2Å; K180-D247 IonicContact NZ-OD1 3.25Å
181L86.9Confident67.7Low71 Ų7192.6 Ų92.637%0.37245%0.453SS..EExtended strand (participates in β ladder)trans-107.189.5-176.8-178.760000110.3R196 L198L181-R196 HydrophobicContact CD1-CB 3.96Å; L181-R196 HydrophobicContact CG-CB 4.49Å; L181-L198 HydrophobicContact CB-CD1 4.1Å; L181-L198 HydrophobicContact CD1-CB 4.31Å; L181-L198 HydrophobicContact CD1-CD1 4.2Å
182V89.4Confident69.2Low0 Ų083.3 Ų83.30%042%0.418CS..EExtended strand (participates in β ladder)trans-84.7153.3-179.1-57.60000111.2K180 I184 R196 V197 L199 D247 F249K180-V182 HydrophobicContact CD-CG1 4.18Å; K180-V182 HydrophobicContact CG-CG1 4.16Å; V182-I184 HydrophobicContact CB-CD1 4.44Å; V182-I184 HydrophobicContact CG2-CD1 3.8Å; V182-I184 HydrophobicContact CG2-CG1 4.39Å; V182-R196 CarbonylContact O-C 3.55Å; V182-R196 WeakPolarHBondContact O-CA 3.45Å; V182-V197 HydrophobicContact CG2-CB 4.12Å; V182-V197 WeakPolarHBondContact CG2-O 2.84Å; V182-V197 PolarHBondContact N-O 3.19Å; V182-V197 PolarHBondContact O-N 3.25Å; V182-L199 HydrophobicContact CG1-CD1 4.21Å; V182-L199 HydrophobicContact CG2-CD1 3.7Å; V182-L199 HydrophobicContact CG2-CG 3.97Å; V182-D247 CarbonylContact C-O 3.46Å; V182-D247 WeakPolarHBondContact CA-O 3.39Å; V182-F249 HydrophobicContact CB-CD2 4.08Å; V182-F249 HydrophobicContact CB-CE2 3.94Å; V182-F249 HydrophobicContact CG1-CD2 4.41Å; V182-F249 HydrophobicContact CG1-CE2 3.77Å
183T89.1Confident70.5Confident15 Ų1583.1 Ų83.19%0.09241%0.414CS..EExtended strand (participates in β ladder)trans-113.3116.4177.8-54.10000109.4A194 R196 D247 V248 F249T183-A194 HydrophobicContact CG2-CB 4.15Å; T183-R196 HydrophobicContact CG2-CG 4.28Å; T183-D247 PolarHBondContact N-O 3.09Å; T183-V248 WeakPolarHBondContact O-CA 3.27Å; T183-F249 PolarHBondContact O-N 2.93Å
184I89.6Confident72.5Confident1 Ų178.2 Ų78.21%0.00539%0.394CS..EExtended strand (participates in β ladder)trans-103.4123.3-179.2-44.7-58.5000109.3V182 A194 V195 V197 I214 I218 L228 F249 A251V182-I184 HydrophobicContact CB-CD1 4.44Å; V182-I184 HydrophobicContact CG2-CD1 3.8Å; V182-I184 HydrophobicContact CG2-CG1 4.39Å; I184-A194 CarbonylContact O-C 3.48Å; I184-A194 WeakPolarHBondContact O-CA 3.23Å; I184-V195 PolarHBondContact N-O 2.97Å; I184-V195 PolarHBondContact O-N 3.24Å; I184-V197 HydrophobicContact CG1-CB 4.48Å; I184-V197 HydrophobicContact CG1-CG2 3.95Å; I184-I214 HydrophobicContact CB-CG2 4.35Å; I184-I214 HydrophobicContact CD1-CD1 3.99Å; I184-I214 HydrophobicContact CG1-CD1 4.28Å; I184-I214 HydrophobicContact CG1-CG1 4.28Å; I184-I214 HydrophobicContact CG1-CG2 3.97Å; I184-I214 HydrophobicContact CG2-CG2 3.83Å; I184-I218 HydrophobicContact CB-CD1 4.3Å; I184-I218 HydrophobicContact CG2-CD1 3.81Å; I184-L228 HydrophobicContact CD1-CD2 4.36Å; I184-L228 HydrophobicContact CG2-CD2 3.83Å; I184-F249 CarbonylContact C-O 3.49Å; I184-F249 WeakPolarHBondContact CA-O 3.41Å; I184-F249 HydrophobicContact CD1-CB 3.94Å; I184-F249 HydrophobicContact CD1-CD2 4.03Å; I184-F249 HydrophobicContact CD1-CG 4.38Å; I184-A251 HydrophobicContact CG2-CB 3.6Å
185I86.3Confident74.3Confident3 Ų371.2 Ų71.22%0.01537%0.368CS..EExtended strand (participates in β ladder)trans-104.3134.1179.7-56.8174.5000108.5S187 R192 A194 V248 F249 I250 A251 L266 M274I185-S187 PolarHBondContact O-N 3.42Å; I185-R192 HydrophobicContact CG2-CB 4.36Å; I185-A194 HydrophobicContact CG1-CB 4.07Å; I185-V248 HydrophobicContact CD1-CG1 3.73Å; I185-V248 HydrophobicContact CG1-CG1 4.3Å; I185-F249 PolarHBondContact N-O 2.71Å; I185-I250 WeakPolarHBondContact O-CA 3.47Å; I185-A251 PolarHBondContact O-N 2.8Å; I185-L266 HydrophobicContact CD1-CD1 3.87Å; I185-M274 HydrophobicContact CD1-SD 3.86Å
186R83.3Confident76Confident65 Ų6574.6 Ų74.625%0.24537%0.373CS..EExtended strand (participates in β ladder)trans-68.9126.3172.2167.8171.6-179.4-1772.1109.9K193 I218 L220 E221R186-K193 PolarHBondContact N-O 3.47Å; R186-K193 VanDerWaalsContact N-O 3.13Å; R186-I218 HydrophobicContact CB-CD1 4.11Å; R186-L220 HydrophobicContact CB-CD2 4.05Å; R186-L220 HydrophobicContact CG-CD2 3.73Å; R186-E221 IonicContact CZ-OE2 3.03Å; R186-E221 IonicContact NH1-OE2 2.89Å; R186-E221 PolarHBondContact NH1-OE2 3.48Å; R186-E221 IonicContact NH2-OE2 3.3Å; R186-E221 PolarHBondContact NH2-OE2 2.96Å
187S71.9Confident77.7Confident31 Ų3167.8 Ų67.822%0.21735%0.345CS..  trans-62.4137.5165.9179.70000111I185 A251 D263I185-S187 PolarHBondContact O-N 3.42Å; S187-A251 WeakPolarHBondContact CB-O 3.38Å; S187-A251 PolarHBondContact N-O 3.32Å; S187-A251 VanDerWaalsContact N-O 3.08Å; S187-D263 WeakPolarHBondContact CA-OD2 3.04Å; S187-D263 WeakPolarHBondContact CB-OD2 3.42Å; S187-D263 PolarHBondContact OG-OD2 2.77Å
188G71.9Confident79.1Confident19 Ų1968.9 Ų68.920%0.19635%0.347CS..SBendtrans114.1-15917400000116.3R192 D263G188-R192 PolarHBondContact O-NE 3.16Å; G188-R192 VanDerWaalsContact O-NE 3.17Å; G188-D263 PolarHBondContact N-OD1 3.38Å; G188-D263 PolarHBondContact N-OD2 2.82Å
189V60.9Low80.1Confident130 Ų13059 Ų5979%0.78831%0.31SS*.SBendtrans-63.6142.2-164.6-650000114.4
190K57.3Low80.4Confident107 Ų10758 Ų5847%0.46530%0.302SS..SBendtrans-68.4144.3175.8-75172.6172.8169.40110.9R192 D267 E270K190-R192 HydrophobicContact CG-CG 4.19Å; K190-D267 IonicContact NZ-OD1 2.71Å; K190-D267 IonicContact NZ-OD2 3.45Å; K190-D267 PolarHBondContact NZ-OD2 3.44Å; K190-E270 WeakPolarHBondContact CE-OE1 3.33Å
191P60Low80.2Confident123 Ų12360.6 Ų60.680%0.79931%0.313SS*.SBendcis-80.4118.66.831.2-34.3000113.4K193P191-K193 PolarHBondContact O-N 2.96Å
192R72Confident79.7Confident38 Ų3863.1 Ų63.114%0.14332%0.321CS..PPolyproline II helixtrans-70128.2177-67.2176.3-178.6147.1-8.8109.3I185 G188 K190 D262 D263 E270I185-R192 HydrophobicContact CG2-CB 4.36Å; G188-R192 PolarHBondContact O-NE 3.16Å; G188-R192 VanDerWaalsContact O-NE 3.17Å; K190-R192 HydrophobicContact CG-CG 4.19Å; R192-D262 PolarHBondContact NH2-O 2.98Å; R192-D263 IonicContact CZ-OD1 3.39Å; R192-D263 IonicContact NE-OD1 2.67Å; R192-D263 PolarHBondContact NE-OD1 3.43Å; R192-D263 IonicContact NH2-OD1 3.5Å; R192-D263 PolarHBondContact NH2-OD1 3.15Å; R192-E270 IonicContact NH1-OE2 3.48Å; R192-E270 PolarHBondContact NH1-OE2 2.98Å
193K72.5Confident79.2Confident155 Ų15567 Ų6767%0.67435%0.345SS*.PPolyproline II helixtrans-91.8134.9170.4-68-178.9-175.2170.20109.5R186 P191R186-K193 PolarHBondContact N-O 3.47Å; R186-K193 VanDerWaalsContact N-O 3.13Å; P191-K193 PolarHBondContact O-N 2.96Å
194A84.3Confident78.9Confident44 Ų4466.7 Ų66.736%0.36434%0.344SS..EExtended strand (participates in β ladder)trans-113.2133.6172.600000109.7T183 I184 I185T183-A194 HydrophobicContact CG2-CB 4.15Å; I184-A194 CarbonylContact O-C 3.48Å; I184-A194 WeakPolarHBondContact O-CA 3.23Å; I185-A194 HydrophobicContact CG1-CB 4.07Å
195V85.9Confident78.2Confident43 Ų4374.3 Ų74.326%0.26138%0.379SS..EExtended strand (participates in β ladder)trans-121.6134.1-179.1178.40000109.4I184 V197 A217 I218I184-V195 PolarHBondContact N-O 2.97Å; I184-V195 PolarHBondContact O-N 3.24Å; V195-V197 HydrophobicContact CG1-CG2 4.17Å; V195-A217 HydrophobicContact CG1-CB 4.14Å; V195-I218 HydrophobicContact CG2-CG1 4.15Å
196R89.3Confident78.2Confident165 Ų16576.7 Ų76.762%0.62340%0.396SS*.EExtended strand (participates in β ladder)trans-97.6114-179.2-58.7-178.771.71753.4109.2L181 V182 T183L181-R196 HydrophobicContact CD1-CB 3.96Å; L181-R196 HydrophobicContact CG-CB 4.49Å; V182-R196 CarbonylContact O-C 3.55Å; V182-R196 WeakPolarHBondContact O-CA 3.45Å; T183-R196 HydrophobicContact CG2-CG 4.28Å
197V88.8Confident78.3Confident17 Ų1775.7 Ų75.710%0.10339%0.394CS..EExtended strand (participates in β ladder)trans-109.1131.8-173.2-1770000109.5V182 I184 V195 L199 I214 A217V182-V197 HydrophobicContact CG2-CB 4.12Å; V182-V197 WeakPolarHBondContact CG2-O 2.84Å; V182-V197 PolarHBondContact N-O 3.19Å; V182-V197 PolarHBondContact O-N 3.25Å; I184-V197 HydrophobicContact CG1-CB 4.48Å; I184-V197 HydrophobicContact CG1-CG2 3.95Å; V195-V197 HydrophobicContact CG1-CG2 4.17Å; V197-L199 HydrophobicContact CG1-CD2 3.87Å; V197-L199 HydrophobicContact CG1-CG 4.33Å; V197-I214 HydrophobicContact CG1-CG1 4.18Å; V197-I214 HydrophobicContact CG2-CG1 4.39Å; V197-A217 HydrophobicContact CG2-CB 3.85Å
198L89.9Confident79Confident112 Ų11281 Ų8159%0.58642%0.415SS*.EExtended strand (participates in β ladder)trans-96.995.1-177.3-172.171000110.4P179 K180 L181P179-L198 HydrophobicContact CB-CD1 3.77Å; P179-L198 HydrophobicContact CB-CD2 4.27Å; P179-L198 HydrophobicContact CB-CG 3.81Å; P179-L198 HydrophobicContact CG-CD1 4.08Å; P179-L198 HydrophobicContact CG-CD2 4.34Å; P179-L198 HydrophobicContact CG-CG 4.33Å; K180-L198 CarbonylContact O-C 3.08Å; L181-L198 HydrophobicContact CB-CD1 4.1Å; L181-L198 HydrophobicContact CD1-CB 4.31Å; L181-L198 HydrophobicContact CD1-CD1 4.2Å
199L87.9Confident79.8Confident7 Ų784.5 Ų84.54%0.03743%0.426CS..EExtended strand (participates in β ladder)trans-88.5130.9-178.7-61.6-179.6000111.4P179 K180 V182 V197 V210 F242 F243P179-L199 CarbonylContact C-O 3.5Å; P179-L199 VanDerWaalsContact CA-O 3.28Å; P179-L199 WeakPolarHBondContact CA-O 3.35Å; K180-L199 PolarHBondContact N-O 2.63Å; K180-L199 PolarHBondContact O-N 2.86Å; V182-L199 HydrophobicContact CG1-CD1 4.21Å; V182-L199 HydrophobicContact CG2-CD1 3.7Å; V182-L199 HydrophobicContact CG2-CG 3.97Å; V197-L199 HydrophobicContact CG1-CD2 3.87Å; V197-L199 HydrophobicContact CG1-CG 4.33Å; L199-V210 HydrophobicContact CD1-CG1 3.93Å; L199-V210 HydrophobicContact CD2-CG1 3.74Å; L199-V210 HydrophobicContact CD2-CG2 4.38Å; L199-F242 HydrophobicContact CD1-CB 4.28Å; L199-F242 HydrophobicContact CD1-CD1 3.66Å; L199-F242 HydrophobicContact CD1-CE1 4.02Å; L199-F242 HydrophobicContact CD1-CG 4.06Å; L199-F243 HydrophobicContact CB-CE1 4.06Å; L199-F243 HydrophobicContact CB-CZ 3.99Å
200N86Confident81Confident39 Ų3978.4 Ų78.421%0.20939%0.389CS..  trans-115.3121.1175.9176.44.7000109.9P179 K202 T203 A204P179-N200 HydrophobicContact CB-CB 4.23Å; N200-K202 PolarHBondContact O-N 3.06Å; N200-K202 PolarHBondContact OD1-N 3.21Å; N200-K202 VanDerWaalsContact OD1-N 3.08Å; N200-T203 PolarHBondContact O-N 3.34Å; N200-T203 PolarHBondContact O-OG1 3.28Å; N200-A204 WeakPolarHBondContact O-CB 3.44Å; N200-A204 PolarHBondContact O-N 3.31Å
201K80.3Confident82.5Confident87 Ų8774.2 Ų74.238%0.37837%0.372SS..THydrogen-bonded Turntrans-57.1-20.3-179.4-162.4-175.4-176.7-175.20113.4D175 F243D175-K201 HydrophobicContact CB-CD 3.53Å; D175-K201 IonicContact OD2-NZ 2.63Å; D175-K201 PolarHBondContact OD2-NZ 2.76Å; K201-F243 HydrophobicContact CB-CD1 4.47Å; K201-F243 HydrophobicContact CB-CD2 4.29Å; K201-F243 HydrophobicContact CB-CE1 4.12Å; K201-F243 HydrophobicContact CB-CE2 3.93Å; K201-F243 HydrophobicContact CB-CZ 3.85Å; K201-F243 HydrophobicContact CG-CD2 4.03Å; K201-F243 HydrophobicContact CG-CE2 3.97Å; K201-F243 HydrophobicContact CG-CZ 4.4Å; K201-F243 VanDerWaalsContact N-CZ 3.35Å
202K76.9Confident83.7Confident124 Ų12472.1 Ų72.154%0.53936%0.357SS..THydrogen-bonded Turntrans-82.6-17.9174.8-74.6-153.868.7179.10115.8V177 N200 H205V177-K202 HydrophobicContact CG2-CD 3.93Å; N200-K202 PolarHBondContact O-N 3.06Å; N200-K202 PolarHBondContact OD1-N 3.21Å; N200-K202 VanDerWaalsContact OD1-N 3.08Å; K202-H205 PolarHBondContact O-CE1 2.99Å
203T79.8Confident84.4Confident81 Ų8173.3 Ų73.350%0.49737%0.366SS..THydrogen-bonded Turntrans-114.7-20.1179.561.10000112.6N200 H205N200-T203 PolarHBondContact O-N 3.34Å; N200-T203 PolarHBondContact O-OG1 3.28Å; T203-H205 PolarHBondContact O-CD2 3.47Å; T203-H205 PolarHBondContact O-N 3.21Å
204A81.6Confident85.1Confident10 Ų1065.9 Ų65.98%0.08333%0.334CS..  trans-69.576.7167.200000110.2N200 V210 L239 F243N200-A204 WeakPolarHBondContact O-CB 3.44Å; N200-A204 PolarHBondContact O-N 3.31Å; A204-V210 HydrophobicContact CB-CG2 3.55Å; A204-L239 HydrophobicContact CB-CD1 4.44Å; A204-L239 HydrophobicContact CB-CD2 4.15Å; A204-L239 WeakPolarHBondContact O-CD1 3.2Å; A204-F243 HydrophobicContact CB-CE2 4.13Å; A204-F243 HydrophobicContact CB-CZ 4.22Å
205H75.9Confident85.2Confident161 Ų16164.9 Ų64.975%0.74532%0.323SS*.  trans-77.7-25.2-177.7-63.9-64.9000113.5K202 T203K202-H205 PolarHBondContact O-CE1 2.99Å; T203-H205 PolarHBondContact O-CD2 3.47Å; T203-H205 PolarHBondContact O-N 3.21Å
206S85.9Confident85Confident53 Ų5369.5 Ų69.537%0.37134%0.342SS..  trans-145151176177.30000110.8E208 Q209 V210S206-E208 PolarHBondContact O-N 3.35Å; S206-E208 PolarHBondContact OG-N 3Å; S206-Q209 PolarHBondContact O-N 3.21Å; S206-V210 PolarHBondContact O-N 2.9Å; S206-V210 VanDerWaalsContact O-N 3.15Å
207F85.8Confident84.7Confident44 Ų4463.8 Ų63.819%0.19333%0.33CS..Hα-helixtrans-59.4-36.3170.7177.4-108.4000111.6V210 L211 V236 L239 F242F207-V210 PolarHBondContact O-N 3.45Å; F207-L211 HydrophobicContact CD1-CD1 3.91Å; F207-L211 HydrophobicContact CE1-CD1 3.5Å; F207-L211 VanDerWaalsContact CE1-CD1 3.5Å; F207-L211 HydrophobicContact CE1-CG 4.17Å; F207-L211 HydrophobicContact CZ-CD1 3.97Å; F207-L211 HydrophobicContact CZ-CD2 4.44Å; F207-L211 HydrophobicContact CZ-CG 4.22Å; F207-L211 WeakPolarHBondContact O-CG 3.34Å; F207-L211 PolarHBondContact O-N 3.28Å; F207-V236 HydrophobicContact CE2-CB 4.32Å; F207-V236 HydrophobicContact CE2-CG1 3.7Å; F207-V236 HydrophobicContact CZ-CG1 4.39Å; F207-V236 WeakPolarHBondContact CZ-O 3.4Å; F207-L239 HydrophobicContact CB-CD2 4.39Å; F207-L239 HydrophobicContact CB-CG 4.22Å; F207-F242 HydrophobicContact CD2-CD2 4.08Å; F207-F242 AromaticContact CD2-CE2 3.61Å; F207-F242 HydrophobicContact CD2-CE2 3.61Å; F207-F242 HydrophobicContact CE2-CD2 4.17Å; F207-F242 AromaticContact CE2-CE2 3.53Å; F207-F242 HydrophobicContact CE2-CE2 3.53Å; F207-F242 HydrophobicContact CE2-CZ 4.36Å
208E85.9Confident84.3Confident143 Ų14363.9 Ų63.967%0.66833%0.329SS*.Hα-helixtrans-69.3-36.6178.1-173.8170.8-154.800112.6S206 L211 T212S206-E208 PolarHBondContact O-N 3.35Å; S206-E208 PolarHBondContact OG-N 3Å; E208-L211 PolarHBondContact O-N 2.78Å; E208-T212 PolarHBondContact O-N 3.37Å; E208-T212 PolarHBondContact O-OG1 3.49Å
209Q88.1Confident83.4Confident92 Ų9265.9 Ų65.943%0.4333%0.333SS..Hα-helixtrans-62.8-47.7171.5-175.263.757.400110.1S206 L211 T212 D213S206-Q209 PolarHBondContact O-N 3.21Å; Q209-L211 VanDerWaalsContact C-N 3.33Å; Q209-L211 PolarHBondContact O-N 2.94Å; Q209-T212 CarbonylContact O-C 3.59Å; Q209-T212 WeakPolarHBondContact O-CA 3.18Å; Q209-T212 VanDerWaalsContact O-CB 3.32Å; Q209-T212 WeakPolarHBondContact O-CB 3.47Å; Q209-T212 PolarHBondContact O-N 3.49Å; Q209-D213 PolarHBondContact NE2-OD1 2.93Å; Q209-D213 PolarHBondContact O-N 2.83Å
210V87.5Confident82.5Confident1 Ų166.5 Ų66.51%0.00634%0.337CS..Hα-helixtrans-63.3-36.8179171.50000112.2L199 A204 S206 F207 T212 I214 L239 F242L199-V210 HydrophobicContact CD1-CG1 3.93Å; L199-V210 HydrophobicContact CD2-CG1 3.74Å; L199-V210 HydrophobicContact CD2-CG2 4.38Å; A204-V210 HydrophobicContact CB-CG2 3.55Å; S206-V210 PolarHBondContact O-N 2.9Å; S206-V210 VanDerWaalsContact O-N 3.15Å; F207-V210 PolarHBondContact O-N 3.45Å; V210-T212 VanDerWaalsContact C-N 3.29Å; V210-T212 PolarHBondContact O-N 3.46Å; V210-I214 HydrophobicContact CG1-CD1 3.66Å; V210-I214 HydrophobicContact CG1-CG1 4.36Å; V210-I214 VanDerWaalsContact O-CB 3.27Å; V210-I214 WeakPolarHBondContact O-CB 3.36Å; V210-I214 WeakPolarHBondContact O-CD1 3.36Å; V210-I214 WeakPolarHBondContact O-CG1 3.4Å; V210-I214 PolarHBondContact O-N 2.98Å; V210-L239 HydrophobicContact CB-CD2 4.1Å; V210-L239 HydrophobicContact CG2-CD2 3.65Å; V210-F242 HydrophobicContact CB-CE2 4.25Å; V210-F242 HydrophobicContact CG1-CD2 4.1Å; V210-F242 HydrophobicContact CG1-CE1 4.11Å; V210-F242 HydrophobicContact CG1-CE2 3.47Å; V210-F242 VanDerWaalsContact CG1-CE2 3.47Å; V210-F242 HydrophobicContact CG1-CZ 3.45Å; V210-F242 VanDerWaalsContact CG1-CZ 3.45Å
211L87.1Confident81.2Confident19 Ų1972.4 Ų72.410%0.09936%0.363CS..Hα-helixtrans-61.8-36.2170.3-79173.3000112.6F207 E208 Q209 T215 V225 L228F207-L211 HydrophobicContact CD1-CD1 3.91Å; F207-L211 HydrophobicContact CE1-CD1 3.5Å; F207-L211 VanDerWaalsContact CE1-CD1 3.5Å; F207-L211 HydrophobicContact CE1-CG 4.17Å; F207-L211 HydrophobicContact CZ-CD1 3.97Å; F207-L211 HydrophobicContact CZ-CD2 4.44Å; F207-L211 HydrophobicContact CZ-CG 4.22Å; F207-L211 WeakPolarHBondContact O-CG 3.34Å; F207-L211 PolarHBondContact O-N 3.28Å; E208-L211 PolarHBondContact O-N 2.78Å; Q209-L211 VanDerWaalsContact C-N 3.33Å; Q209-L211 PolarHBondContact O-N 2.94Å; L211-T215 WeakPolarHBondContact O-CB 3.46Å; L211-T215 PolarHBondContact O-N 3.3Å; L211-T215 PolarHBondContact O-OG1 2.99Å; L211-V225 HydrophobicContact CD2-CB 4.49Å; L211-V225 HydrophobicContact CD2-CG1 3.95Å; L211-L228 HydrophobicContact CD2-CD1 3.61Å; L211-L228 HydrophobicContact CD2-CG 4.09Å
212T86.7Confident80.1Confident79 Ų7971.6 Ų71.649%0.48537%0.366SS..Hα-helixtrans-70.1-48.7177.5-54.80000110.9E208 Q209 V210 I214 T215 E216E208-T212 PolarHBondContact O-N 3.37Å; E208-T212 PolarHBondContact O-OG1 3.49Å; Q209-T212 CarbonylContact O-C 3.59Å; Q209-T212 WeakPolarHBondContact O-CA 3.18Å; Q209-T212 VanDerWaalsContact O-CB 3.32Å; Q209-T212 WeakPolarHBondContact O-CB 3.47Å; Q209-T212 PolarHBondContact O-N 3.49Å; V210-T212 VanDerWaalsContact C-N 3.29Å; V210-T212 PolarHBondContact O-N 3.46Å; T212-I214 VanDerWaalsContact C-N 3.31Å; T212-I214 PolarHBondContact O-N 3.08Å; T212-T215 VanDerWaalsContact O-CB 3.31Å; T212-T215 WeakPolarHBondContact O-CB 3.2Å; T212-T215 PolarHBondContact O-N 3.19Å; T212-T215 VanDerWaalsContact O-N 3.09Å; T212-E216 PolarHBondContact O-N 3.21Å
213D86.7Confident79.6Confident63 Ų6367.4 Ų67.434%0.33736%0.358SS..Hα-helixtrans-58.6-43.4176.2-56.3-13.1000111.1Q209 E216 A217Q209-D213 PolarHBondContact NE2-OD1 2.93Å; Q209-D213 PolarHBondContact O-N 2.83Å; D213-E216 PolarHBondContact O-N 2.79Å; D213-A217 WeakPolarHBondContact O-CB 3.18Å; D213-A217 PolarHBondContact O-N 3.34Å
214I87.6Confident79.5Confident0 Ų067.5 Ų67.50%036%0.358CS..Hα-helixtrans-66.3-38176.3-73.7169.4000111.4I184 V197 V210 T212 A217 I218 L228 F242I184-I214 HydrophobicContact CB-CG2 4.35Å; I184-I214 HydrophobicContact CD1-CD1 3.99Å; I184-I214 HydrophobicContact CG1-CD1 4.28Å; I184-I214 HydrophobicContact CG1-CG1 4.28Å; I184-I214 HydrophobicContact CG1-CG2 3.97Å; I184-I214 HydrophobicContact CG2-CG2 3.83Å; V197-I214 HydrophobicContact CG1-CG1 4.18Å; V197-I214 HydrophobicContact CG2-CG1 4.39Å; V210-I214 HydrophobicContact CG1-CD1 3.66Å; V210-I214 HydrophobicContact CG1-CG1 4.36Å; V210-I214 VanDerWaalsContact O-CB 3.27Å; V210-I214 WeakPolarHBondContact O-CB 3.36Å; V210-I214 WeakPolarHBondContact O-CD1 3.36Å; V210-I214 WeakPolarHBondContact O-CG1 3.4Å; V210-I214 PolarHBondContact O-N 2.98Å; T212-I214 VanDerWaalsContact C-N 3.31Å; T212-I214 PolarHBondContact O-N 3.08Å; I214-A217 PolarHBondContact O-N 2.92Å; I214-I218 VanDerWaalsContact O-CG2 3.3Å; I214-I218 WeakPolarHBondContact O-CG2 3.43Å; I214-I218 PolarHBondContact O-N 3.37Å; I214-L228 HydrophobicContact CD1-CD1 3.83Å; I214-F242 HydrophobicContact CD1-CE1 3.54Å; I214-F242 HydrophobicContact CD1-CZ 3.53Å
215T84.6Confident79.4Confident23 Ų2367.3 Ų67.314%0.14136%0.356CS..Hα-helixtrans-60.1-47.7174.8-66.40000111L211 T212 A217 I218 K219 V224 V225L211-T215 WeakPolarHBondContact O-CB 3.46Å; L211-T215 PolarHBondContact O-N 3.3Å; L211-T215 PolarHBondContact O-OG1 2.99Å; T212-T215 VanDerWaalsContact O-CB 3.31Å; T212-T215 WeakPolarHBondContact O-CB 3.2Å; T212-T215 PolarHBondContact O-N 3.19Å; T212-T215 VanDerWaalsContact O-N 3.09Å; T215-A217 VanDerWaalsContact C-N 3.32Å; T215-A217 PolarHBondContact O-N 2.6Å; T215-I218 PolarHBondContact O-N 3.02Å; T215-K219 PolarHBondContact O-N 3.25Å; T215-V224 HydrophobicContact CG2-CB 4.19Å; T215-V224 HydrophobicContact CG2-CG1 4.19Å; T215-V225 WeakPolarHBondContact OG1-CB 3.48Å; T215-V225 WeakPolarHBondContact OG1-CG2 3.15Å; T215-V225 PolarHBondContact OG1-N 2.9Å
216E83Confident79.5Confident140 Ų14066.3 Ų66.365%0.65435%0.349SS*.Hα-helixtrans-64.8-37177.6-166.2-172.4160.600111.8T212 D213 K219T212-E216 PolarHBondContact O-N 3.21Å; D213-E216 PolarHBondContact O-N 2.79Å; E216-K219 WeakPolarHBondContact O-CE 3.28Å; E216-K219 WeakPolarHBondContact O-CG 3.44Å
217A82.5Confident79.3Confident44 Ų4466.9 Ų66.936%0.36435%0.345SS..Hα-helixtrans-68.1-39.8177.900000113.2V195 V197 D213 I214 T215V195-A217 HydrophobicContact CG1-CB 4.14Å; V197-A217 HydrophobicContact CG2-CB 3.85Å; D213-A217 WeakPolarHBondContact O-CB 3.18Å; D213-A217 PolarHBondContact O-N 3.34Å; I214-A217 PolarHBondContact O-N 2.92Å; T215-A217 VanDerWaalsContact C-N 3.32Å; T215-A217 PolarHBondContact O-N 2.6Å
218I79.8Confident79.3Confident19 Ų1964.8 Ų64.810%0.09734%0.336CS..Hα-helixtrans-90.9-23.6-174.8-157164.7000114.5I184 R186 V195 I214 T215 L220 V225 A251I184-I218 HydrophobicContact CB-CD1 4.3Å; I184-I218 HydrophobicContact CG2-CD1 3.81Å; R186-I218 HydrophobicContact CB-CD1 4.11Å; V195-I218 HydrophobicContact CG2-CG1 4.15Å; I214-I218 VanDerWaalsContact O-CG2 3.3Å; I214-I218 WeakPolarHBondContact O-CG2 3.43Å; I214-I218 PolarHBondContact O-N 3.37Å; T215-I218 PolarHBondContact O-N 3.02Å; I218-L220 HydrophobicContact CD1-CD2 4.45Å; I218-L220 HydrophobicContact CG1-CD2 4.29Å; I218-L220 HydrophobicContact CG2-CD2 3.85Å; I218-L220 HydrophobicContact CG2-CG 3.92Å; I218-V225 HydrophobicContact CG2-CG2 4.03Å; I218-A251 HydrophobicContact CD1-CB 4.19Å
219K71.3Confident79.2Confident154 Ų15459.4 Ų59.467%0.6731%0.31SS*.  trans47.864.3176.9-55.5-166.3176.8-174.10113.4T215 E216 E221T215-K219 PolarHBondContact O-N 3.25Å; E216-K219 WeakPolarHBondContact O-CE 3.28Å; E216-K219 WeakPolarHBondContact O-CG 3.44Å; K219-E221 PolarHBondContact O-N 2.77Å
220L68.9Low79.1Confident21 Ų2155 Ų5511%0.1129%0.289CS..  trans-64.9129.3171.7-50.4-177.1000109.9R186 I218 T222 G223 V225R186-L220 HydrophobicContact CB-CD2 4.05Å; R186-L220 HydrophobicContact CG-CD2 3.73Å; I218-L220 HydrophobicContact CD1-CD2 4.45Å; I218-L220 HydrophobicContact CG1-CD2 4.29Å; I218-L220 HydrophobicContact CG2-CD2 3.85Å; I218-L220 HydrophobicContact CG2-CG 3.92Å; L220-T222 PolarHBondContact O-N 2.99Å; L220-G223 WeakPolarHBondContact CB-O 3.36Å; L220-G223 PolarHBondContact O-N 2.82Å; L220-V225 HydrophobicContact CD1-CG2 3.91Å; L220-V225 HydrophobicContact CG-CG2 4.38Å
221E58.8Low78.7Confident162 Ų16257.7 Ų57.776%0.75730%0.303SS*.THydrogen-bonded Turntrans-62.4-13.8175.4-64.6147.4150.900112.8R186 K219R186-E221 IonicContact CZ-OE2 3.03Å; R186-E221 IonicContact NH1-OE2 2.89Å; R186-E221 PolarHBondContact NH1-OE2 3.48Å; R186-E221 IonicContact NH2-OE2 3.3Å; R186-E221 PolarHBondContact NH2-OE2 2.96Å; K219-E221 PolarHBondContact O-N 2.77Å
222T57.3Low78.2Confident71 Ų7162 Ų6244%0.43633%0.326SS..THydrogen-bonded Turntrans-106.26.8-176.1-43.80000112.9L220 P254L220-T222 PolarHBondContact O-N 2.99Å; T222-P254 HydrophobicContact CG2-CG 4.45Å; T222-P254 WeakPolarHBondContact O-CG 3.43Å
223G67.7Low77.5Confident36 Ų3659.6 Ų59.637%0.37132%0.317SS..  trans102.5-150.817300000115.4L220L220-G223 WeakPolarHBondContact CB-O 3.36Å; L220-G223 PolarHBondContact O-N 2.82Å
224V77.3Confident77.3Confident83 Ų8362 Ų6250%0.50333%0.325SS..  trans-73.4144.1-165.3-55.80000114.5T215 K226 G253 P254T215-V224 HydrophobicContact CG2-CB 4.19Å; T215-V224 HydrophobicContact CG2-CG1 4.19Å; V224-K226 HydrophobicContact CG2-CG 4.14Å; V224-K226 PolarHBondContact O-N 2.8Å; V224-G253 WeakPolarHBondContact O-CA 3.32Å; V224-P254 WeakPolarHBondContact O-CD 3.49Å
225V79.8Confident77.1Confident6 Ų665.4 Ų65.44%0.03634%0.341CS..  trans-69.6116.3170.5-177.60000108.4L211 T215 I218 L220 K227 L228 A251L211-V225 HydrophobicContact CD2-CB 4.49Å; L211-V225 HydrophobicContact CD2-CG1 3.95Å; T215-V225 WeakPolarHBondContact OG1-CB 3.48Å; T215-V225 WeakPolarHBondContact OG1-CG2 3.15Å; T215-V225 PolarHBondContact OG1-N 2.9Å; I218-V225 HydrophobicContact CG2-CG2 4.03Å; L220-V225 HydrophobicContact CD1-CG2 3.91Å; L220-V225 HydrophobicContact CG-CG2 4.38Å; V225-K227 WeakPolarHBondContact CG1-O 3.36Å; V225-L228 HydrophobicContact CG1-CD2 4.46Å; V225-L228 HydrophobicContact CG1-CG 4.11Å; V225-A251 HydrophobicContact CG1-CB 3.86Å; V225-A251 HydrophobicContact CG2-CB 4Å
226K76.9Confident77.2Confident140 Ų14064.3 Ų64.361%0.60933%0.334SS*.  trans-98.3-24.3-179.9-75.2-162.8170.2-170.20113.4V224 C252 P254V224-K226 HydrophobicContact CG2-CG 4.14Å; V224-K226 PolarHBondContact O-N 2.8Å; K226-C252 PolarHBondContact N-O 3.38Å; K226-P254 HydrophobicContact CD-CB 4.5Å
227K81.4Confident77.1Confident65 Ų6562.1 Ų62.128%0.28333%0.33SS..EExtended strand (participates in β ladder)trans-144.2149.1176.2-67.3-169.1174.3-161.30110.7V225 Y229 Q235 C252 F257V225-K227 WeakPolarHBondContact CG1-O 3.36Å; K227-Y229 HydrophobicContact CB-CD2 4.43Å; K227-Y229 HydrophobicContact CB-CE2 3.72Å; K227-Y229 HydrophobicContact CD-CE2 4.14Å; K227-Y229 VanDerWaalsContact CD-OH 3.28Å; K227-Y229 WeakPolarHBondContact CD-OH 3.5Å; K227-Q235 HydrophobicContact CD-CG 4.31Å; K227-C252 HydrophobicContact CB-CB 4.39Å; K227-C252 PolarHBondContact N-O 2.81Å; K227-C252 VanDerWaalsContact N-O 3.15Å; K227-C252 PolarHBondContact O-N 3.32Å; K227-F257 HydrophobicContact CD-CZ 4Å
228L86.3Confident77.2Confident0 Ų062.6 Ų62.60%033%0.33CS..EExtended strand (participates in β ladder)trans-118.7149.1166-78.4156.6000108.9I184 L211 I214 V225 Q235 V236 F242 F249 I250 A251I184-L228 HydrophobicContact CD1-CD2 4.36Å; I184-L228 HydrophobicContact CG2-CD2 3.83Å; L211-L228 HydrophobicContact CD2-CD1 3.61Å; L211-L228 HydrophobicContact CD2-CG 4.09Å; I214-L228 HydrophobicContact CD1-CD1 3.83Å; V225-L228 HydrophobicContact CG1-CD2 4.46Å; V225-L228 HydrophobicContact CG1-CG 4.11Å; L228-Q235 WeakPolarHBondContact O-CG 3.49Å; L228-V236 HydrophobicContact CB-CB 3.97Å; L228-V236 HydrophobicContact CB-CG2 3.8Å; L228-V236 PolarHBondContact O-N 3.48Å; L228-F242 HydrophobicContact CD1-CE1 3.72Å; L228-F242 HydrophobicContact CD1-CE2 4.37Å; L228-F242 HydrophobicContact CD1-CZ 3.3Å; L228-F249 HydrophobicContact CD2-CB 3.97Å; L228-I250 WeakPolarHBondContact CA-O 3.41Å; L228-A251 HydrophobicContact CD2-CB 3.79Å
229Y84Confident77.5Confident29 Ų2963.6 Ų63.611%0.11434%0.336CS..EExtended strand (participates in β ladder)trans-129.6149.3174.7-65.8-95.8000109.4K227 G233 K234 Q235 F249 I250 C252 F264K227-Y229 HydrophobicContact CB-CD2 4.43Å; K227-Y229 HydrophobicContact CB-CE2 3.72Å; K227-Y229 HydrophobicContact CD-CE2 4.14Å; K227-Y229 VanDerWaalsContact CD-OH 3.28Å; K227-Y229 WeakPolarHBondContact CD-OH 3.5Å; Y229-G233 WeakPolarHBondContact CD1-O 3.48Å; Y229-K234 CarbonylContact C-O 3.54Å; Y229-K234 WeakPolarHBondContact CA-O 3.37Å; Y229-Q235 HydrophobicContact CD1-CB 3.85Å; Y229-Q235 HydrophobicContact CD1-CG 4.09Å; Y229-Q235 HydrophobicContact CE1-CB 3.57Å; Y229-Q235 HydrophobicContact CE1-CG 3.67Å; Y229-Q235 HydrophobicContact CE2-CG 4.37Å; Y229-F249 CarbonylContact O-C 3.36Å; Y229-F249 WeakPolarHBondContact O-CA 3.36Å; Y229-F249 WeakPolarHBondContact O-CB 3.33Å; Y229-I250 PolarHBondContact N-O 2.88Å; Y229-I250 PolarHBondContact O-N 2.92Å; Y229-C252 HydrophobicContact CE2-CB 4.29Å; Y229-F264 HydrophobicContact CD1-CZ 4.3Å; Y229-F264 HydrophobicContact CG-CE1 4.28Å; Y229-F264 HydrophobicContact CG-CZ 4.25Å
230T86.5Confident78Confident0 Ų063.4 Ų63.40%034%0.337CS..EExtended strand (participates in β ladder)trans-74171.4165.465.10000110.3D232 G233 K234 V236 D246 F249T230-D232 PolarHBondContact O-N 3.34Å; T230-D232 PolarHBondContact OG1-N 3.22Å; T230-G233 PolarHBondContact O-N 2.86Å; T230-K234 PolarHBondContact N-O 2.71Å; T230-K234 PolarHBondContact OG1-N 3.43Å; T230-V236 HydrophobicContact CG2-CG2 4.49Å; T230-D246 HydrophobicContact CG2-CB 4.05Å; T230-F249 HydrophobicContact CG2-CD1 3.98Å; T230-F249 HydrophobicContact CG2-CE1 3.78Å
231L78.6Confident78.7Confident57 Ų5764.6 Ų64.630%0.29834%0.343SS..THydrogen-bonded Turntrans-60.8-27.5172.7-63.3-177.1000112.8G233 V248 I250 L266L231-G233 PolarHBondContact O-N 3.08Å; L231-V248 HydrophobicContact CD1-CB 3.88Å; L231-V248 HydrophobicContact CD1-CG1 3.92Å; L231-V248 HydrophobicContact CD1-CG2 4.47Å; L231-V248 HydrophobicContact CD2-CB 4.45Å; L231-V248 HydrophobicContact CD2-CG1 3.82Å; L231-V248 HydrophobicContact CG-CB 4.01Å; L231-V248 HydrophobicContact CG-CG1 3.93Å; L231-I250 HydrophobicContact CD2-CD1 4.13Å; L231-I250 HydrophobicContact CD2-CG1 4.22Å; L231-L266 HydrophobicContact CD1-CD1 4.36Å; L231-L266 HydrophobicContact CD2-CD1 3.59Å; L231-L266 HydrophobicContact CD2-CG 4.37Å
232D75.6Confident79.8Confident110 Ų11056.9 Ų56.959%0.58831%0.307SS*.THydrogen-bonded Turntrans-70.8-1.9173.3-69.80.7000113.5T230 K234T230-D232 PolarHBondContact O-N 3.34Å; T230-D232 PolarHBondContact OG1-N 3.22Å; D232-K234 VanDerWaalsContact C-N 3.26Å; D232-K234 HydrophobicContact CB-CD 4.23Å; D232-K234 HydrophobicContact CB-CG 4.1Å; D232-K234 PolarHBondContact O-N 3.31Å; D232-K234 VanDerWaalsContact OD2-CE 3.26Å; D232-K234 WeakPolarHBondContact OD2-CE 3.46Å; D232-K234 IonicContact OD2-NZ 2.6Å; D232-K234 PolarHBondContact OD2-NZ 3.42Å
233G73.7Confident80.9Confident29 Ų2955.6 Ų55.630%0.29930%0.296SS..  trans75.17.8-175.800000114.9Y229 T230 L231Y229-G233 WeakPolarHBondContact CD1-O 3.48Å; T230-G233 PolarHBondContact O-N 2.86Å; L231-G233 PolarHBondContact O-N 3.08Å
234K81.5Confident81.5Confident113 Ų11355.3 Ų55.349%0.49129%0.293SS..PPolyproline II helixtrans-70.8133.6172.7-56.6169.3-164.4148.30108.9Y229 T230 D232Y229-K234 CarbonylContact C-O 3.54Å; Y229-K234 WeakPolarHBondContact CA-O 3.37Å; T230-K234 PolarHBondContact N-O 2.71Å; T230-K234 PolarHBondContact OG1-N 3.43Å; D232-K234 VanDerWaalsContact C-N 3.26Å; D232-K234 HydrophobicContact CB-CD 4.23Å; D232-K234 HydrophobicContact CB-CG 4.1Å; D232-K234 PolarHBondContact O-N 3.31Å; D232-K234 VanDerWaalsContact OD2-CE 3.26Å; D232-K234 WeakPolarHBondContact OD2-CE 3.46Å; D232-K234 IonicContact OD2-NZ 2.6Å; D232-K234 PolarHBondContact OD2-NZ 3.42Å
235Q83.3Confident81.6Confident71 Ų7159.5 Ų59.533%0.33231%0.312SS..EExtended strand (participates in β ladder)trans-79.1124.3177.4-163-160.2-62.200110.7K227 L228 Y229 T237K227-Q235 HydrophobicContact CD-CG 4.31Å; L228-Q235 WeakPolarHBondContact O-CG 3.49Å; Y229-Q235 HydrophobicContact CD1-CB 3.85Å; Y229-Q235 HydrophobicContact CD1-CG 4.09Å; Y229-Q235 HydrophobicContact CE1-CB 3.57Å; Y229-Q235 HydrophobicContact CE1-CG 3.67Å; Y229-Q235 HydrophobicContact CE2-CG 4.37Å; Q235-T237 PolarHBondContact O-N 3.24Å
236V86.7Confident81.8Confident0 Ų061.4 Ų61.40%032%0.322CS..EExtended strand (participates in β ladder)trans-67.1124.1169-165.80000108.3F207 L228 T230 D241 F242 F249F207-V236 HydrophobicContact CE2-CB 4.32Å; F207-V236 HydrophobicContact CE2-CG1 3.7Å; F207-V236 HydrophobicContact CZ-CG1 4.39Å; F207-V236 WeakPolarHBondContact CZ-O 3.4Å; L228-V236 HydrophobicContact CB-CB 3.97Å; L228-V236 HydrophobicContact CB-CG2 3.8Å; L228-V236 PolarHBondContact O-N 3.48Å; T230-V236 HydrophobicContact CG2-CG2 4.49Å; V236-D241 WeakPolarHBondContact CA-OD2 3.15Å; V236-D241 HydrophobicContact CG1-CB 4.01Å; V236-D241 WeakPolarHBondContact CG1-OD2 3.48Å; V236-F242 HydrophobicContact CG1-CD2 4.04Å; V236-F242 HydrophobicContact CG1-CE2 4.14Å; V236-F242 HydrophobicContact CG1-CG 4.36Å; V236-F249 HydrophobicContact CG2-CD1 3.47Å; V236-F249 VanDerWaalsContact CG2-CD1 3.47Å; V236-F249 HydrophobicContact CG2-CE1 3.73Å
237T81.6Confident82.3Confident94 Ų9458.7 Ų58.758%0.57731%0.314SS*.  trans-125.1-11.7-178.353.30000113.8Q235Q235-T237 PolarHBondContact O-N 3.24Å
238C84.7Confident82.5Confident54 Ų5456.6 Ų56.637%0.36531%0.307SS..SBendtrans-149.8164.8-175.669.90000111.9H240 D241C238-H240 VanDerWaalsContact C-N 3.26Å; C238-H240 PolarHBondContact O-N 3.44Å; C238-D241 PolarHBondContact O-N 2.86Å
239L85.3Confident82.6Confident40 Ų4056.6 Ų56.621%0.20931%0.307CS..Hα-helixtrans-66-24.6178.2-72176.2000114A204 F207 V210 D241 F242 F243A204-L239 HydrophobicContact CB-CD1 4.44Å; A204-L239 HydrophobicContact CB-CD2 4.15Å; A204-L239 WeakPolarHBondContact O-CD1 3.2Å; F207-L239 HydrophobicContact CB-CD2 4.39Å; F207-L239 HydrophobicContact CB-CG 4.22Å; V210-L239 HydrophobicContact CB-CD2 4.1Å; V210-L239 HydrophobicContact CG2-CD2 3.65Å; L239-D241 VanDerWaalsContact C-N 3.32Å; L239-D241 PolarHBondContact O-N 2.55Å; L239-F242 HydrophobicContact CD2-CD2 4.24Å; L239-F242 PolarHBondContact O-N 3.42Å; L239-F243 WeakPolarHBondContact O-CD2 3.49Å; L239-F243 PolarHBondContact O-N 3.13Å
240H82.8Confident82.7Confident151 Ų15155.4 Ų55.470%0.69930%0.303SS*.Hα-helixtrans-62.6-42.2179.8-17780.4000111.5C238 F242 F243 G244C238-H240 VanDerWaalsContact C-N 3.26Å; C238-H240 PolarHBondContact O-N 3.44Å; H240-F242 PolarHBondContact O-N 3.08Å; H240-F243 CarbonylContact O-C 3.55Å; H240-F243 WeakPolarHBondContact O-CA 3.03Å; H240-F243 PolarHBondContact O-N 3.17Å; H240-G244 PolarHBondContact O-N 2.82Å
241D83.3Confident82.7Confident45 Ų4555.4 Ų55.424%0.24130%0.303CS..Hα-helixtrans-63.2-40.8-178.1-162.553.8000111.8V236 C238 L239 F243 G244V236-D241 WeakPolarHBondContact CA-OD2 3.15Å; V236-D241 HydrophobicContact CG1-CB 4.01Å; V236-D241 WeakPolarHBondContact CG1-OD2 3.48Å; C238-D241 PolarHBondContact O-N 2.86Å; L239-D241 VanDerWaalsContact C-N 3.32Å; L239-D241 PolarHBondContact O-N 2.55Å; D241-F243 PolarHBondContact O-N 2.81Å; D241-G244 PolarHBondContact O-N 2.84Å
242F81.8Confident82.7Confident0 Ų054.1 Ų54.10%030%0.298CS..Hα-helixtrans-56.9-33168.9-83.2-67.6000114K180 L199 F207 V210 I214 L228 V236 L239 H240 F249K180-F242 WeakPolarHBondContact CD-O 3.42Å; K180-F242 WeakPolarHBondContact CE-O 3.26Å; K180-F242 PolarHBondContact NZ-O 2.7Å; L199-F242 HydrophobicContact CD1-CB 4.28Å; L199-F242 HydrophobicContact CD1-CD1 3.66Å; L199-F242 HydrophobicContact CD1-CE1 4.02Å; L199-F242 HydrophobicContact CD1-CG 4.06Å; F207-F242 HydrophobicContact CD2-CD2 4.08Å; F207-F242 AromaticContact CD2-CE2 3.61Å; F207-F242 HydrophobicContact CD2-CE2 3.61Å; F207-F242 HydrophobicContact CE2-CD2 4.17Å; F207-F242 AromaticContact CE2-CE2 3.53Å; F207-F242 HydrophobicContact CE2-CE2 3.53Å; F207-F242 HydrophobicContact CE2-CZ 4.36Å; V210-F242 HydrophobicContact CB-CE2 4.25Å; V210-F242 HydrophobicContact CG1-CD2 4.1Å; V210-F242 HydrophobicContact CG1-CE1 4.11Å; V210-F242 HydrophobicContact CG1-CE2 3.47Å; V210-F242 VanDerWaalsContact CG1-CE2 3.47Å; V210-F242 HydrophobicContact CG1-CZ 3.45Å; V210-F242 VanDerWaalsContact CG1-CZ 3.45Å; I214-F242 HydrophobicContact CD1-CE1 3.54Å; I214-F242 HydrophobicContact CD1-CZ 3.53Å; L228-F242 HydrophobicContact CD1-CE1 3.72Å; L228-F242 HydrophobicContact CD1-CE2 4.37Å; L228-F242 HydrophobicContact CD1-CZ 3.3Å; V236-F242 HydrophobicContact CG1-CD2 4.04Å; V236-F242 HydrophobicContact CG1-CE2 4.14Å; V236-F242 HydrophobicContact CG1-CG 4.36Å; L239-F242 HydrophobicContact CD2-CD2 4.24Å; L239-F242 PolarHBondContact O-N 3.42Å; H240-F242 PolarHBondContact O-N 3.08Å; F242-F249 HydrophobicContact CD1-CD2 4.47Å; F242-F249 HydrophobicContact CD1-CE2 4.15Å; F242-F249 HydrophobicContact CD1-CZ 4.19Å
243F80.8Confident82.5Confident45 Ų4549.7 Ų49.720%0.19728%0.279CS..THydrogen-bonded Turntrans-99.36-178.9-67.8-65.6000113.7K180 L199 K201 A204 L239 H240 D241K180-F243 HydrophobicContact CB-CD1 4.13Å; K180-F243 HydrophobicContact CB-CE1 4.17Å; K180-F243 HydrophobicContact CD-CD1 4.25Å; L199-F243 HydrophobicContact CB-CE1 4.06Å; L199-F243 HydrophobicContact CB-CZ 3.99Å; K201-F243 HydrophobicContact CB-CD1 4.47Å; K201-F243 HydrophobicContact CB-CD2 4.29Å; K201-F243 HydrophobicContact CB-CE1 4.12Å; K201-F243 HydrophobicContact CB-CE2 3.93Å; K201-F243 HydrophobicContact CB-CZ 3.85Å; K201-F243 HydrophobicContact CG-CD2 4.03Å; K201-F243 HydrophobicContact CG-CE2 3.97Å; K201-F243 HydrophobicContact CG-CZ 4.4Å; K201-F243 VanDerWaalsContact N-CZ 3.35Å; A204-F243 HydrophobicContact CB-CE2 4.13Å; A204-F243 HydrophobicContact CB-CZ 4.22Å; L239-F243 WeakPolarHBondContact O-CD2 3.49Å; L239-F243 PolarHBondContact O-N 3.13Å; H240-F243 CarbonylContact O-C 3.55Å; H240-F243 WeakPolarHBondContact O-CA 3.03Å; H240-F243 PolarHBondContact O-N 3.17Å; D241-F243 PolarHBondContact O-N 2.81Å
244G80Confident82Confident30 Ų3051.5 Ų51.531%0.30929%0.285SS..SBendtrans-74.8-154.317200000113.2K180 H240 D241K180-G244 PolarHBondContact NZ-O 2.88Å; H240-G244 PolarHBondContact O-N 2.82Å; D241-G244 PolarHBondContact O-N 2.84Å
245D79.5Confident80.8Confident170 Ų17051.9 Ų51.991%0.90929%0.289SS*.SBendtrans-77.4-17.4-177.7-61.3-56.7000114
246D84.6Confident79.1Confident47 Ų4757 Ų5725%0.25131%0.31SS..  trans-79.9122.5-177.4-86-58.2000113.1K180 T230 F249K180-D246 WeakPolarHBondContact CE-O 3.33Å; K180-D246 PolarHBondContact NZ-O 3.15Å; T230-D246 HydrophobicContact CG2-CB 4.05Å; D246-F249 HydrophobicContact CB-CE1 4.19Å; D246-F249 HydrophobicContact CB-CZ 3.99Å; D246-F249 WeakPolarHBondContact O-CE2 3.28Å; D246-F249 VanDerWaalsContact O-CZ 3.23Å; D246-F249 WeakPolarHBondContact O-CZ 3.41Å
247D85.6Confident77.3Confident82 Ų8264.4 Ų64.444%0.43934%0.342SS..  trans-102-4.7177.8-85.7-31.8000113.8K180 V182 T183K180-D247 WeakPolarHBondContact CE-OD1 3.2Å; K180-D247 IonicContact NZ-OD1 3.25Å; V182-D247 CarbonylContact C-O 3.46Å; V182-D247 WeakPolarHBondContact CA-O 3.39Å; T183-D247 PolarHBondContact N-O 3.09Å
248V86.6Confident75.6Confident21 Ų2170.1 Ų70.113%0.12735%0.353CS..EExtended strand (participates in β ladder)trans-132.9128.5-172.3-171.10000111.4T183 I185 L231T183-V248 WeakPolarHBondContact O-CA 3.27Å; I185-V248 HydrophobicContact CD1-CG1 3.73Å; I185-V248 HydrophobicContact CG1-CG1 4.3Å; L231-V248 HydrophobicContact CD1-CB 3.88Å; L231-V248 HydrophobicContact CD1-CG1 3.92Å; L231-V248 HydrophobicContact CD1-CG2 4.47Å; L231-V248 HydrophobicContact CD2-CB 4.45Å; L231-V248 HydrophobicContact CD2-CG1 3.82Å; L231-V248 HydrophobicContact CG-CB 4.01Å; L231-V248 HydrophobicContact CG-CG1 3.93Å
249F88.3Confident74.1Confident0 Ų075.2 Ų75.20%037%0.366CS..EExtended strand (participates in β ladder)trans-135.4148-174.4-54.7-88.6000112V182 T183 I184 I185 L228 Y229 T230 V236 F242 D246V182-F249 HydrophobicContact CB-CD2 4.08Å; V182-F249 HydrophobicContact CB-CE2 3.94Å; V182-F249 HydrophobicContact CG1-CD2 4.41Å; V182-F249 HydrophobicContact CG1-CE2 3.77Å; T183-F249 PolarHBondContact O-N 2.93Å; I184-F249 CarbonylContact C-O 3.49Å; I184-F249 WeakPolarHBondContact CA-O 3.41Å; I184-F249 HydrophobicContact CD1-CB 3.94Å; I184-F249 HydrophobicContact CD1-CD2 4.03Å; I184-F249 HydrophobicContact CD1-CG 4.38Å; I185-F249 PolarHBondContact N-O 2.71Å; L228-F249 HydrophobicContact CD2-CB 3.97Å; Y229-F249 CarbonylContact O-C 3.36Å; Y229-F249 WeakPolarHBondContact O-CA 3.36Å; Y229-F249 WeakPolarHBondContact O-CB 3.33Å; T230-F249 HydrophobicContact CG2-CD1 3.98Å; T230-F249 HydrophobicContact CG2-CE1 3.78Å; V236-F249 HydrophobicContact CG2-CD1 3.47Å; V236-F249 VanDerWaalsContact CG2-CD1 3.47Å; V236-F249 HydrophobicContact CG2-CE1 3.73Å; F242-F249 HydrophobicContact CD1-CD2 4.47Å; F242-F249 HydrophobicContact CD1-CE2 4.15Å; F242-F249 HydrophobicContact CD1-CZ 4.19Å; D246-F249 HydrophobicContact CB-CE1 4.19Å; D246-F249 HydrophobicContact CB-CZ 3.99Å; D246-F249 WeakPolarHBondContact O-CE2 3.28Å; D246-F249 VanDerWaalsContact O-CZ 3.23Å; D246-F249 WeakPolarHBondContact O-CZ 3.41Å
250I85.9Confident72.4Confident4 Ų476.3 Ų76.32%0.02138%0.381CS..EExtended strand (participates in β ladder)trans-104121.4177.6-61.9167.3000108.8I185 L228 Y229 L231 F264I185-I250 WeakPolarHBondContact O-CA 3.47Å; L228-I250 WeakPolarHBondContact CA-O 3.41Å; Y229-I250 PolarHBondContact N-O 2.88Å; Y229-I250 PolarHBondContact O-N 2.92Å; L231-I250 HydrophobicContact CD2-CD1 4.13Å; L231-I250 HydrophobicContact CD2-CG1 4.22Å; I250-F264 HydrophobicContact CD1-CD1 3.75Å; I250-F264 HydrophobicContact CD1-CE1 4.05Å
251A86.8Confident70.8Confident1 Ų177.2 Ų77.21%0.00839%0.386CS..EExtended strand (participates in β ladder)trans-91.6116.8-178.500000111.8I184 I185 S187 I218 V225 L228I184-A251 HydrophobicContact CG2-CB 3.6Å; I185-A251 PolarHBondContact O-N 2.8Å; S187-A251 WeakPolarHBondContact CB-O 3.38Å; S187-A251 PolarHBondContact N-O 3.32Å; S187-A251 VanDerWaalsContact N-O 3.08Å; I218-A251 HydrophobicContact CD1-CB 4.19Å; V225-A251 HydrophobicContact CG1-CB 3.86Å; V225-A251 HydrophobicContact CG2-CB 4Å; L228-A251 HydrophobicContact CD2-CB 3.79Å
252C78.3Confident69.2Low29 Ų2980.1 Ų80.120%0.19640%0.401CS..EExtended strand (participates in β ladder)trans-103.4119.4175.8-60.80000110.2K226 K227 Y229K226-C252 PolarHBondContact N-O 3.38Å; K227-C252 HydrophobicContact CB-CB 4.39Å; K227-C252 PolarHBondContact N-O 2.81Å; K227-C252 VanDerWaalsContact N-O 3.15Å; K227-C252 PolarHBondContact O-N 3.32Å; Y229-C252 HydrophobicContact CE2-CB 4.29Å
253G72.2Confident67.8Low18 Ų1880.8 Ų80.819%0.18640%0.404CS..  trans-78-159.2172.700000112.9V224 E255V224-G253 WeakPolarHBondContact O-CA 3.32Å; G253-E255 PolarHBondContact O-N 2.95Å; G253-E255 VanDerWaalsContact O-N 3.13Å
254P61.8Low66.4Low67 Ų6781.5 Ų81.544%0.43541%0.408SS..SBendtrans-76.615173.435.2-37.1000113.4T222 V224 K226T222-P254 HydrophobicContact CG2-CG 4.45Å; T222-P254 WeakPolarHBondContact O-CG 3.43Å; V224-P254 WeakPolarHBondContact O-CD 3.49Å; K226-P254 HydrophobicContact CD-CB 4.5Å
255E57.3Low64.8Low121 Ų12183.3 Ų83.357%0.56542%0.416SS*.  trans-70.1149.8177.5-136.5179.5148.600111G253G253-E255 PolarHBondContact O-N 2.95Å; G253-E255 VanDerWaalsContact O-N 3.13Å
256K48.1Very low63.4Low177 Ų17776.6 Ų76.677%0.7738%0.38SS*.  trans-73.9137.5-167.4-58.3177.2-172.8179.20109.8R258K256-R258 VanDerWaalsContact C-N 3.25Å; K256-R258 PolarHBondContact O-N 2.99Å
257F48.8Very low61.4Low157 Ų15778 Ų7869%0.68939%0.387SS*.SBendtrans-60.673.2180-77.9-96.9000113.2K227K227-F257 HydrophobicContact CD-CZ 4Å
258R46.2Very low59.3Low214 Ų21480.6 Ų80.681%0.80840%0.397SS*.  trans-126.4-10.8-176.1-99.9-175.1-178.1162.52.2116K256K256-R258 VanDerWaalsContact C-N 3.25Å; K256-R258 PolarHBondContact O-N 2.99Å
259Y52Low57.3Low161 Ų16185.5 Ų85.563%0.63142%0.422SS*.  trans-121.226.8179.9-77.6-72.8000113.4Q261 D263Y259-Q261 PolarHBondContact O-N 3.41Å; Y259-D263 WeakPolarHBondContact O-CB 3.3Å; Y259-D263 PolarHBondContact O-N 3.03Å
260A50.8Low55.3Low63 Ų6387.2 Ų87.252%0.52143%0.43SS..THydrogen-bonded Turntrans-7226.1-179.500000114.8F264A260-F264 HydrophobicContact CB-CE2 4.25Å; A260-F264 WeakPolarHBondContact O-CD2 3.45Å
261Q47.6Very low53.5Low170 Ų17089.5 Ų89.579%0.79445%0.446SS*.THydrogen-bonded Turntrans-131-55.1168.7-68.8-167.1-75.500111.2Y259 D263 F264Y259-Q261 PolarHBondContact O-N 3.41Å; Q261-D263 PolarHBondContact O-N 2.86Å; Q261-F264 PolarHBondContact O-N 3.46Å
262D50.4Low51.7Low106 Ų10697 Ų9757%0.56747%0.474SS*.THydrogen-bonded Turntrans-67.9-17.7-177.9-54.7-78.2000114.9R192 S265R192-D262 PolarHBondContact NH2-O 2.98Å; D262-S265 PolarHBondContact O-OG 3.44Å
263D53.3Low50.5Low13 Ų13101.5 Ų101.57%0.0750%0.5CS..THydrogen-bonded Turntrans-86.2-20.2-178.4-126.831.4000113.8S187 G188 R192 Y259 Q261S187-D263 WeakPolarHBondContact CA-OD2 3.04Å; S187-D263 WeakPolarHBondContact CB-OD2 3.42Å; S187-D263 PolarHBondContact OG-OD2 2.77Å; G188-D263 PolarHBondContact N-OD1 3.38Å; G188-D263 PolarHBondContact N-OD2 2.82Å; R192-D263 IonicContact CZ-OD1 3.39Å; R192-D263 IonicContact NE-OD1 2.67Å; R192-D263 PolarHBondContact NE-OD1 3.43Å; R192-D263 IonicContact NH2-OD1 3.5Å; R192-D263 PolarHBondContact NH2-OD1 3.15Å; Y259-D263 WeakPolarHBondContact O-CB 3.3Å; Y259-D263 PolarHBondContact O-N 3.03Å; Q261-D263 PolarHBondContact O-N 2.86Å
264F50.3Low49.7Very low60 Ų60103.4 Ų103.426%0.26351%0.505SS..THydrogen-bonded Turntrans-85.6-24.1176.3-64.5-67.6000112.7Y229 I250 A260 Q261 L266Y229-F264 HydrophobicContact CD1-CZ 4.3Å; Y229-F264 HydrophobicContact CG-CE1 4.28Å; Y229-F264 HydrophobicContact CG-CZ 4.25Å; I250-F264 HydrophobicContact CD1-CD1 3.75Å; I250-F264 HydrophobicContact CD1-CE1 4.05Å; A260-F264 HydrophobicContact CB-CE2 4.25Å; A260-F264 WeakPolarHBondContact O-CD2 3.45Å; Q261-F264 PolarHBondContact O-N 3.46Å; F264-L266 PolarHBondContact O-N 3.46Å
265S47.3Very low49.1Very low69 Ų69107.9 Ų107.948%0.48352%0.517SS..  trans-72.689.9165.745.30000110.8D262D262-S265 PolarHBondContact O-OG 3.44Å
266L48.8Very low48.2Very low29 Ų29105.4 Ų105.415%0.15252%0.524CS..  trans-76.5126.4157.6-65.9-174.3000109.1I185 L231 F264 C271I185-L266 HydrophobicContact CD1-CD1 3.87Å; L231-L266 HydrophobicContact CD1-CD1 4.36Å; L231-L266 HydrophobicContact CD2-CD1 3.59Å; L231-L266 HydrophobicContact CD2-CG 4.37Å; F264-L266 PolarHBondContact O-N 3.46Å; L266-C271 VanDerWaalsContact CB-SG 3.6Å
267D42.2Very low47.8Very low76 Ų76104 Ų10441%0.40653%0.525SS..  trans-58.6146.3173.9-43.8-45.3000109.6K190 N269 E270 C271K190-D267 IonicContact NZ-OD1 2.71Å; K190-D267 IonicContact NZ-OD2 3.45Å; K190-D267 PolarHBondContact NZ-OD2 3.44Å; D267-N269 PolarHBondContact O-N 3.29Å; D267-E270 PolarHBondContact O-N 2.7Å; D267-C271 PolarHBondContact O-N 2.96Å
268E42.8Very low47.3Very low137 Ų137101.9 Ų101.964%0.6453%0.527SS*.Hα-helixtrans-56.3-26.4179.7-158.6-165.398.400112.2R272E268-R272 WeakPolarHBondContact O-CB 3.4Å; E268-R272 PolarHBondContact O-N 2.93Å; E268-R272 IonicContact OE1-CZ 3.8Å; E268-R272 IonicContact OE1-NH2 3.73Å; E268-R272 PolarHBondContact OE1-NH2 2.94Å
269N43.6Very low46.7Very low123 Ų12397.2 Ų97.266%0.65853%0.527SS*.Hα-helixtrans-68.3-39.5172.5-68.487000114.2D267 V273D267-N269 PolarHBondContact O-N 3.29Å; N269-V273 WeakPolarHBondContact O-CG2 3.31Å; N269-V273 PolarHBondContact O-N 3.39Å
270E47.7Very low46.1Very low37 Ų3793.9 Ų93.917%0.17353%0.533CS..Hα-helixtrans-69.1-46.5177.7-78.5-168.4148.600110.4K190 R192 D267 R272 V273 M274K190-E270 WeakPolarHBondContact CE-OE1 3.33Å; R192-E270 IonicContact NH1-OE2 3.48Å; R192-E270 PolarHBondContact NH1-OE2 2.98Å; D267-E270 PolarHBondContact O-N 2.7Å; E270-R272 PolarHBondContact O-N 3.47Å; E270-V273 PolarHBondContact O-N 2.67Å; E270-M274 HydrophobicContact CB-CE 3.88Å; E270-M274 HydrophobicContact CG-CE 4.29Å; E270-M274 WeakPolarHBondContact O-CG 3.01Å; E270-M274 PolarHBondContact O-N 3.13Å
271C47.5Very low45.2Very low51 Ų5197.4 Ų97.435%0.34555%0.549SS..Hα-helixtrans-53.2-40.5175-74.30000112.9L266 D267 M274 K275L266-C271 VanDerWaalsContact CB-SG 3.6Å; D267-C271 PolarHBondContact O-N 2.96Å; C271-M274 PolarHBondContact O-N 2.99Å; C271-K275 PolarHBondContact O-N 2.73Å
272R49.2Very low44.5Very low158 Ų15894.7 Ų94.760%0.59656%0.555SS**Hα-helixtrans-73.8-22.8-179.4-166.4-177.9-64.8-106.65.8114E268 E270E268-R272 WeakPolarHBondContact O-CB 3.4Å; E268-R272 PolarHBondContact O-N 2.93Å; E268-R272 IonicContact OE1-CZ 3.8Å; E268-R272 IonicContact OE1-NH2 3.73Å; E268-R272 PolarHBondContact OE1-NH2 2.94Å; E270-R272 PolarHBondContact O-N 3.47Å
273V52.7Low43.4Very low124 Ų12493 Ų9375%0.75256%0.562SS**Hα-helixtrans-79.7-29.1172.4172.20000111.3N269 E270N269-V273 WeakPolarHBondContact O-CG2 3.31Å; N269-V273 PolarHBondContact O-N 3.39Å; E270-V273 PolarHBondContact O-N 2.67Å
274M55.5Low42.8Very low58 Ų5898 Ų9829%0.28660%0.596SS.*Hα-helixtrans-91.7-35.8-173.2-61.3168.7-163.800112.8I185 E270 C271 G276I185-M274 HydrophobicContact CD1-SD 3.86Å; E270-M274 HydrophobicContact CB-CE 3.88Å; E270-M274 HydrophobicContact CG-CE 4.29Å; E270-M274 WeakPolarHBondContact O-CG 3.01Å; E270-M274 PolarHBondContact O-N 3.13Å; C271-M274 PolarHBondContact O-N 2.99Å; M274-G276 PolarHBondContact O-N 3.04Å
275K48Very low41.8Very low161 Ų161105 Ų10570%0.763%0.626SS**SBendtrans-88.595.3165.8-93.9178174169.20110.4C271 N277C271-K275 PolarHBondContact O-N 2.73Å; K275-N277 PolarHBondContact O-N 3.41Å
276G38.7Very low41Very low69 Ų69107 Ų10771%0.71165%0.646SS**  trans-56.7132.8171.800000112M274 P278M274-G276 PolarHBondContact O-N 3.04Å; G276-P278 WeakPolarHBondContact O-CD 3.34Å
277N39.4Very low40.1Very low148 Ų148110.7 Ų110.779%0.79168%0.675SS**  trans-40.5118.2-166.8-71.76.1000116.1K275K275-N277 PolarHBondContact O-N 3.41Å
278P38.6Very low39.8Very low112 Ų112113 Ų11373%0.72769%0.694SS**PPolyproline II helixtrans-72.3148.913932.5-31.6000109.9G276G276-P278 WeakPolarHBondContact O-CD 3.34Å
279S34.1Very low39.4Very low116 Ų116112.7 Ų112.781%0.81170%0.701SS**PPolyproline II helixtrans-64.4146177-175.30000111.7
280A39Very low39.4Very low91 Ų91112.1 Ų112.175%0.75271%0.705SS**PPolyproline II helixtrans-69.314217200000112
281T31.8Very low38.7Very low138 Ų138119.9 Ų119.985%0.84774%0.741SS**  trans-136.5138.8160.440.10000108
282A33.3Very low37.9Very low112 Ų112127.4 Ų127.493%0.92677%0.768SS**  trans-73.7140.617900000109.9
283G27.1Very low37Very low70 Ų70126 Ų12672%0.72278%0.782SS**  134.9-166.854.300000106.8
284P41.5Very low36.1Very low118 Ų118125.7 Ų125.777%0.76679%0.786SS**  cis-130.9166.6-6.441.8-26.5000115.3
285K28.8Very low35.1Very low209 Ų209128 Ų12891%0.90981%0.814SS**  trans48.7110.1150.5-66.5176.3-179-1790120.8
286A29.9Very low34.4Very low109 Ų109130 Ų13090%0.90182%0.823SS**  -142.7151129.500000109
287S31.1Very low34.4Very low107 Ų107132.3 Ų132.375%0.74883%0.828SS**  trans-128157.117659.10000110.1
288P35.8Very low34.6Very low126 Ų126131.4 Ų131.482%0.81883%0.83SS**  -135.1-179.991.426.8-8000113.9
289T34.8Very low34.7Very low129 Ų129129.1 Ų129.179%0.79183%0.827SS**  trans-118.8-166-175.956.90000110.6
290P42.2Very low34.9Very low112 Ų112130.1 Ų130.173%0.72783%0.83SS**  -125.1169.2-94.938.2-21.9000114.1
291Q33.1Very low34.7Very low199 Ų199135 Ų13593%0.9384%0.84SS**  trans-124.4151.6158.9-72.9-156.1-18.700112.2
292K31.5Very low34.8Very low209 Ų209140.2 Ų140.291%0.90984%0.844SS**  trans-96.8134.2-170.9-63171.2178.7173.30111.2
293S30.4Very low34.9Very low129 Ų129146.7 Ų146.790%0.90285%0.845SS**  trans-147.8149.7144.362.80000109.3
294S32.9Very low35.3Very low118 Ų118148.2 Ų148.283%0.82584%0.844SS**  trans-124.9128.9-167.356.50000112
295A34.3Very low35Very low106 Ų106152.3 Ų152.388%0.87685%0.85SS**  trans-158.6147.3151.500000112.8
296K34.9Very low35.4Very low203 Ų203147.8 Ų147.888%0.88384%0.844SS**PPolyproline II helixtrans-67.7154.4-177.2-65.7161.2173.5172.20113.7
297S38.4Very low36.2Very low118 Ų118148.8 Ų148.883%0.82584%0.842SS**PPolyproline II helixtrans-67151169.8-290000113.5
298P44Very low36.2Very low128 Ų128148.6 Ų148.683%0.83185%0.847SS**PPolyproline II helixtrans-94.5139.3157.98.410.9000111.8
299G40.4Very low35.9Very low64 Ų64149.9 Ų149.966%0.6685%0.847SS**PPolyproline II helixtrans-91.6173.5169.200000113.2
300P38Very low35.9Very low137 Ų137149 Ų14989%0.8985%0.846SS**PPolyproline II helixtrans-76.3128.8-17330-35000113.4R302P300-R302 PolarHBondContact O-N 3.18Å
301M33.8Very low35.3Very low193 Ų193147 Ų14795%0.95185%0.846SS**  trans-81.5112.8174.2-80.417758.700112.5
302R35.7Very low35.3Very low248 Ų248144.5 Ų144.594%0.93684%0.839SS**  trans-110.4110.1157-103.5-172.6166.1-153.9-1.7109.1P300P300-R302 PolarHBondContact O-N 3.18Å
303R33.5Very low35.4Very low249 Ų249140.1 Ų140.194%0.9483%0.825SS**  trans-164.6148137.2-134.6168.2179.5146.2-0.1113.4
304S36.1Very low35.5Very low101 Ų101141 Ų14171%0.70682%0.815SS**  trans-77.6163.5165.548.10000111.9
305K35.2Very low35.5Very low204 Ų204142.4 Ų142.489%0.88781%0.813SS**  trans-160.4134.4147.5-110.2176.1-177.9-172.80110.2
306S37Very low35.5Very low114 Ų114141.9 Ų141.980%0.79781%0.809SS**  trans-101154.6164.2-42.10000108.9
307P46.7Very low35.4Very low130 Ų130140.2 Ų140.284%0.84481%0.81SS**  trans-83.9165.2146.84.815.9000110
308A32Very low35Very low103 Ų103138 Ų13885%0.85181%0.805SS**  trans-139.5153.4168.400000108.4
309D30.1Very low34.5Very low154 Ų154138.1 Ų138.182%0.82480%0.804SS**  trans-146.8153.5160.8-158.99.1000111.3
310S33.6Very low34Very low110 Ų110140.3 Ų140.377%0.76981%0.809SS**  trans-36.4156.6179-46.20000117.8
311G30.3Very low33.7Very low71 Ų71138.6 Ų138.673%0.73280%0.8SS**  cis170.6-1540.300000113.4
312N33.6Very low33.8Very low146 Ų146134.4 Ų134.478%0.78179%0.79SS**  trans88.5123.6172.6-110.963.1000120.6
313D32.7Very low33.7Very low117 Ų117130.3 Ų130.363%0.62678%0.782SS**  trans30.1144.5137.3-60.5-37.4000122.3
314Q33.1Very low33.7Very low148 Ų148125.7 Ų125.769%0.69278%0.775SS**  cis-162.9167.9-4.1-120.5160.14600111.2
315D32.8Very low33.6Very low146 Ų146125.5 Ų125.578%0.78177%0.773SS**  trans71.3145.1151.5-68.3-14.9000126.6
316A34.6Very low33.7Very low95 Ų95121.8 Ų121.879%0.78577%0.768SS**  trans68.285.3143.200000123.2
317N31.3Very low34Very low169 Ų169122 Ų12290%0.90477%0.767SS**  6.4129.8125.9-175.239.6000120.1
318G30.2Very low33.3Very low70 Ų70125.8 Ų125.872%0.72277%0.77SS**  trans176145.2163.500000115.7
319T33.4Very low33.4Very low132 Ų132126.1 Ų126.181%0.8177%0.766SS**  trans-128.3146.6-179.451.70000113.9
320S31.3Very low33.6Very low109 Ų109127.9 Ų127.976%0.76277%0.766SS**  trans88.4140.8154.2-57.70000121.6
321S31.8Very low33.7Very low101 Ų101130.3 Ų130.371%0.70677%0.765SS**  trans65100.2146.457.10000123.3
322S35.5Very low34.2Very low106 Ų106132 Ų13274%0.74177%0.766SS**  78.6147.2116.376.40000123.9
323Q33Very low34.8Very low162 Ų162130.4 Ų130.476%0.75776%0.764SS**  trans100.5120.9155.2-60.5-90.8-11.300119.8
324L32.5Very low34.9Very low152 Ų152132.3 Ų132.380%0.79677%0.772SS**  trans61.9146.7149.9-101.759.6000119.6
325S34.6Very low34.9Very low96 Ų96129.6 Ų129.667%0.67177%0.77SS**  cis-147.715520.8-680000116.4
326T36.8Very low35Very low126 Ų126128.7 Ų128.777%0.77377%0.77SS**  trans-10.2151150.440.90000121
327P44.1Very low36.1Very low120 Ų120129.7 Ų129.778%0.77977%0.768SS**  -147.6141.966.239.1-19000122.4
328K31.7Very low36.1Very low208 Ų208128.3 Ų128.390%0.90477%0.766SS**  trans52.4117.8141.9-74.4177.5174.7171.20121.9
329S34.8Very low36.4Very low110 Ų110130.2 Ų130.277%0.76977%0.768SS**  trans-101.6155.8160.4163.60000111.6
330K34.6Very low36.9Very low191 Ų191130.3 Ų130.383%0.8377%0.771SS**  trans-155.7150.6144-74.4-157.2-178.8-172.50110.2
331Q34.2Very low36.8Very low161 Ų161128.4 Ų128.475%0.75277%0.769SS**  cis-166.4151.6-30.6-166.9160.4-800108.6
332S41.1Very low36.8Very low106 Ų106128.6 Ų128.674%0.74177%0.77SS**  trans-125.3156.9174.5-49.80000111.4
333P47Very low36.7Very low113 Ų113130.5 Ų130.573%0.73477%0.771SS**  trans-139.5161.8132.841.5-28.7000111.7
334I35.3Very low36.9Very low157 Ų157132.9 Ų132.981%0.80577%0.773SS**  cis73.6128.635.6-62.4177.2000110.6
335S31.8Very low37.3Very low92 Ų92133.9 Ų133.964%0.64377%0.771SS**  cis-155.6162.99.3-156.50000113.5
336T35.8Very low37.4Very low127 Ų127135.4 Ų135.478%0.77977%0.767SS**  trans35.5154.3145.746.20000124.6
337P57.5Low37.6Very low116 Ų116136.2 Ų136.275%0.75376%0.76SS**  trans-107.3165-16641.8-36000116.7
338T30.8Very low37.2Very low140 Ų140135.6 Ų135.686%0.85975%0.75SS**  trans-175.4149.2140.8-76.60000110.1
339S35.7Very low37.5Very low109 Ų109132 Ų13276%0.76274%0.74SS**  trans-73.9156.8179.2-47.30000113.5
340P44Very low37.5Very low135 Ų135135.3 Ų135.388%0.87774%0.737SS**  -137.2-167.3101.439-27.9000112
341G29.5Very low37.6Very low69 Ų69132.5 Ų132.571%0.71173%0.731SS**  trans-152.2-173.8-176.900000115.8
342S32.3Very low38.5Very low105 Ų105128.7 Ų128.773%0.73472%0.72SS**  trans68.8116.6176.8-167.80000117.4
343L33.7Very low38.6Very low145 Ų145130.8 Ų130.876%0.75972%0.722SS**  -172.2117.7112.1-98.6167.3000113.8
344R38Very low38.3Very low213 Ų213129.6 Ų129.680%0.80472%0.716SS**  trans10.6134.9142.1-50.9170.1-178.6-178.1-2.7117.6
345K39.1Very low38.7Very low173 Ų173128.2 Ų128.275%0.75271%0.71SS**  -177.2167.381.8-90.8-177.8168.1-167.30109.2
346H38.5Very low39.2Very low128 Ų128130.5 Ų130.559%0.59372%0.715SS**  cis-163.3152.517.3-134-172000112.7
347K39.3Very low39.7Very low143 Ų143131.4 Ų131.462%0.62272%0.715SS**  trans63.9152.8145.7-69.3-171.3147.3-73.10119.5
348D37Very low39.3Very low107 Ų107131.8 Ų131.857%0.57272%0.72SS**  cis-163.5173.8-7.2-94.9-18.2000105.1
349L38.4Very low40.1Very low132 Ų132133.1 Ų133.169%0.69172%0.722SS**  cis-167.2161.4-28.2-85.1166.1000103.6
350Y33Very low40.9Very low179 Ų179133 Ų13370%0.70272%0.721SS**  cis-140.4167.611.6-140.8-133.4000106.6P352Y350-P352 HydrophobicContact CE1-CG 4.21Å
351L37.9Very low41.1Very low133 Ų133134.7 Ų134.770%0.69672%0.722SS**  cis74.9150.329.1-78-176.2000115.2
352P53.7Low42Very low80 Ų80135.3 Ų135.352%0.51973%0.729SS.*  cis-147.7-176.9-9.344.7-26.2000118.9Y350Y350-P352 HydrophobicContact CE1-CG 4.21Å
353L42.4Very low42.8Very low150 Ų150137.3 Ų137.379%0.78573%0.731SS**  trans68.3154.5152.9-61.1-156.8000120.1
354S40.5Very low43.8Very low88 Ų88135.1 Ų135.162%0.61573%0.728SS**  cis-136.1160.93.7-1050000110.1
355L43.6Very low44.3Very low128 Ų128137.7 Ų137.767%0.6775%0.752SS**  57.2139.569.3-78.3157.4000112.9
356D41.7Very low44.6Very low141 Ų141136 Ų13675%0.75475%0.752SS**  cis-144.1178.922.8-62.4-88.8000114.2
357D47.3Very low44.9Very low146 Ų146136.4 Ų136.478%0.78176%0.761SS**  trans-69.2162.2173.7-65.3-112.7000116
358S49.8Very low45.2Very low124 Ų124136 Ų13687%0.86777%0.768SS**  trans-176.1132.4133.1-79.50000114.1
359D47.3Very low45.7Very low167 Ų167137.7 Ų137.789%0.89378%0.78SS**  trans-75.6153.5157.6-77.8-71000111.4
360S51.1Low46.1Very low107 Ų107138.1 Ų138.175%0.74879%0.785SS**  175.7135.5126.7-169.50000114.3
361L50.2Low47Very low171 Ų171135.3 Ų135.390%0.89579%0.791SS**  trans-6.3140.6153.7-58.3163.7000120.2
362G46.6Very low47.7Very low82 Ų82135.5 Ų135.585%0.84580%0.798SS**  trans-157.9127.216000000111
363D49.3Very low47.2Very low147 Ų147139.8 Ų139.879%0.78682%0.819SS**  trans-115.8164.7-168.6-162.1-92.3000112.4
364S55.8Low47.6Very low99 Ų99138.9 Ų138.969%0.69282%0.822SS**  trans21.2124.7166.6-610000121.2
365M48.4Very low48.3Very low267 Ų267143.5 Ų143.5100%1.31584%0.841SS**  -159.7097.8-101-174.1-175.700112.3

Retrieved 365 of 365 residues in 803.8 ms (Link to these results)