A0A087YQK4_POEFO Loading...

Adhesion molecule with Ig like domain 1

AlphaFold DB , UniProt , Accession A0A087YQK4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 510 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
1M35.3Very low30.1Very low235 Ų235148.3 Ų148.3100%1.15885%0.852SS**  0154.80-77.5173.9165.100109.2
2L31.4Very low30.5Very low155 Ų155146.8 Ų146.881%0.81285%0.848SS**  trans49.4100.7151.2-66.1164.3000121.6
3R27.3Very low30.7Very low228 Ų228148.2 Ų148.286%0.8685%0.849SS**  55.8111.5116.6-97.7-171.5176.1176.1-1.5123.3
4S27.6Very low31.4Very low102 Ų102145.5 Ų145.571%0.71384%0.84SS**  84.2141.8109.968.40000124.9
5S28.4Very low31.6Very low114 Ų114147.5 Ų147.580%0.79785%0.845SS**  trans76.7144.5156-109.80000118.5
6S31.7Very low32Very low104 Ų104144.7 Ų144.773%0.72784%0.836SS**  cis-163.7167.2-9.522.50000112.5
7R30.2Very low32.4Very low245 Ų245148.5 Ų148.593%0.92584%0.84SS**  trans-2.1152.6156.1-74.5-176.6168171.9-4.7120
8A30.6Very low32.7Very low97 Ų97151.2 Ų151.280%0.80284%0.841SS**  cis-176.5168.2-10.100000111.2
9G28.8Very low33Very low84 Ų84151 Ų15187%0.86683%0.833SS**  trans107.4148.415800000116.5
10G27.6Very low33.6Very low83 Ų83148.9 Ų148.986%0.85683%0.83SS**  trans122.5130.5175.800000113.8
11E32.3Very low34Very low184 Ų184150 Ų15086%0.8683%0.826SS**  trans-106159.1-173-66.1-180113.900114.1
12T34.1Very low34.4Very low131 Ų131145.8 Ų145.880%0.80481%0.807SS**  trans47.9111.4153.953.60000120.9
13L33.3Very low35.1Very low164 Ų164145.1 Ų145.186%0.85980%0.8SS**  trans-163.9166.4146.3-97.5169.7000106.2
14P41.1Very low35.9Very low111 Ų111144 Ų14472%0.72180%0.796SS**  cis-132147.48.238.6-21.7000116.3
15L34.6Very low36.9Very low175 Ų175148.3 Ų148.392%0.91680%0.797SS**  trans-155.873.3151.7-151.483.1000113.5
16C37.4Very low37.8Very low103 Ų103144.6 Ų144.670%0.69678%0.776SS**  trans-143.187.5173.9-166.60000112.9
17K38.9Very low38.8Very low210 Ų210144.8 Ų144.891%0.91377%0.769SS**SBendtrans-160.233.3166.6-122.5169.5-171.5176.40115.4
18F37.3Very low39.9Very low196 Ų196137.4 Ų137.486%0.8675%0.751SS**SBendtrans-134.93.1178.7-139.7-97.9000115.8
19Q39.7Very low41Very low148 Ų148138.5 Ų138.569%0.69274%0.742SS**  trans-96.7-3.6-162.6-145.1161.90.600115.4
20S44.1Very low42.1Very low109 Ų109138.6 Ų138.676%0.76273%0.726SS**THydrogen-bonded Turntrans-91.4-11.3-173.158.20000116.2
21K42.4Very low43.2Very low173 Ų173140.2 Ų140.275%0.75272%0.715SS**THydrogen-bonded Turntrans-96.1-32.8176-79.6-170.3174.8-176.90114
22L43.9Very low44Very low145 Ų145134.7 Ų134.776%0.75970%0.695SS**Hα-helixtrans-69.7-39.3-174.4-155.871.3000112.5R24 W25 G26L22-R24 VanDerWaalsContact C-N 3.27Å; L22-R24 PolarHBondContact O-N 3.37Å; L22-W25 PolarHBondContact O-N 3.38Å; L22-W25 VanDerWaalsContact O-N 3.13Å; L22-G26 PolarHBondContact O-N 2.93Å
23Q45.3Very low44.6Very low142 Ų142130.7 Ų130.766%0.66468%0.676SS**Hα-helixtrans-65.4-26.3-176.3-164.3168.13.400113.6L27Q23-L27 PolarHBondContact O-N 2.85Å
24R44.9Very low45.4Very low205 Ų205126 Ų12677%0.77466%0.661SS**Hα-helixtrans-75.4-26.4176.1-131.1-178.8-169.9-1671.5113.2L22 V28L22-R24 VanDerWaalsContact C-N 3.27Å; L22-R24 PolarHBondContact O-N 3.37Å; R24-V28 WeakPolarHBondContact O-CG2 3.46Å
25W47.6Very low45.7Very low192 Ų192125.4 Ų125.473%0.72766%0.655SS**Hα-helixtrans-85.7-36.2175-73.570.6000111.7L22 L27 V28 L29L22-W25 PolarHBondContact O-N 3.38Å; L22-W25 VanDerWaalsContact O-N 3.13Å; W25-L27 VanDerWaalsContact C-N 3.35Å; W25-L27 PolarHBondContact O-N 2.96Å; W25-V28 PolarHBondContact O-N 3.35Å; W25-L29 PolarHBondContact O-N 3.22Å
26G47.6Very low46Very low36 Ų36124 Ų12437%0.37165%0.647SS.*Hα-helixtrans-56.7-44.7173.500000113L22 V28 L29 T30L22-G26 PolarHBondContact O-N 2.93Å; G26-V28 VanDerWaalsContact C-N 3.35Å; G26-V28 PolarHBondContact O-N 3.44Å; G26-L29 PolarHBondContact O-N 3.29Å; G26-T30 PolarHBondContact O-N 3.48Å; G26-T30 PolarHBondContact O-OG1 2.84Å
27L53.4Low46.2Very low108 Ų108129.9 Ų129.957%0.56566%0.655SS**Hα-helixtrans-66.7-29.9177.2-85.8163000114.2Q23 W25 T30 L31Q23-L27 PolarHBondContact O-N 2.85Å; W25-L27 VanDerWaalsContact C-N 3.35Å; W25-L27 PolarHBondContact O-N 2.96Å; L27-T30 PolarHBondContact O-OG1 3.27Å; L27-L31 WeakPolarHBondContact O-CD1 3.49Å; L27-L31 PolarHBondContact O-N 2.88Å
28V53.7Low46.3Very low90 Ų90125.7 Ų125.755%0.54564%0.642SS.*Hα-helixtrans-75-41.7174.2174.10000110.2R24 W25 G26 T30 L31 C32R24-V28 WeakPolarHBondContact O-CG2 3.46Å; W25-V28 PolarHBondContact O-N 3.35Å; G26-V28 VanDerWaalsContact C-N 3.35Å; G26-V28 PolarHBondContact O-N 3.44Å; V28-T30 PolarHBondContact O-N 3.4Å; V28-L31 PolarHBondContact O-N 3.1Å; V28-C32 WeakPolarHBondContact O-CB 3.44Å; V28-C32 PolarHBondContact O-N 3.09Å; V28-C32 PolarHBondContact O-SG 2.88Å; V28-C32 VanDerWaalsContact O-SG 3.33Å
29L52.4Low46.3Very low119 Ų119122 Ų12262%0.62364%0.638SS**Hα-helixtrans-62.8-38.5175.5-84.8159.5000112.7W25 G26 C32 A33W25-L29 PolarHBondContact O-N 3.22Å; G26-L29 PolarHBondContact O-N 3.29Å; L29-C32 PolarHBondContact O-N 2.89Å; L29-A33 WeakPolarHBondContact O-CB 3.35Å; L29-A33 PolarHBondContact O-N 2.91Å
30T53.1Low46.2Very low86 Ų86123.4 Ų123.453%0.52864%0.644SS.*Hα-helixtrans-72.2-33.717554.30000113.1G26 L27 V28 A34G26-T30 PolarHBondContact O-N 3.48Å; G26-T30 PolarHBondContact O-OG1 2.84Å; L27-T30 PolarHBondContact O-OG1 3.27Å; V28-T30 PolarHBondContact O-N 3.4Å; T30-A34 WeakPolarHBondContact O-CB 3.32Å; T30-A34 PolarHBondContact O-N 2.89Å
31L50.8Low46.2Very low118 Ų118121.6 Ų121.662%0.61864%0.636SS**Hα-helixtrans-64.8-45.2169.9-104.977000111.8L27 V28 A33 A34 V35L27-L31 WeakPolarHBondContact O-CD1 3.49Å; L27-L31 PolarHBondContact O-N 2.88Å; V28-L31 PolarHBondContact O-N 3.1Å; L31-A33 VanDerWaalsContact C-N 3.34Å; L31-A33 PolarHBondContact O-N 2.8Å; L31-A34 PolarHBondContact O-N 3.14Å; L31-V35 WeakPolarHBondContact O-CG2 3.49Å; L31-V35 PolarHBondContact O-N 3.49Å
32C47.4Very low46.5Very low67 Ų67117.3 Ų117.345%0.45363%0.628SS.*Hα-helixtrans-63-39.3176.6-69.30000112.1V28 L29 V35 L36V28-C32 WeakPolarHBondContact O-CB 3.44Å; V28-C32 PolarHBondContact O-N 3.09Å; V28-C32 PolarHBondContact O-SG 2.88Å; V28-C32 VanDerWaalsContact O-SG 3.33Å; L29-C32 PolarHBondContact O-N 2.89Å; C32-V35 PolarHBondContact O-N 2.88Å; C32-L36 WeakPolarHBondContact O-CG 3.43Å; C32-L36 PolarHBondContact O-N 2.87Å; C32-L36 VanDerWaalsContact O-N 3.07Å
33A48.2Very low47.2Very low48 Ų48111 Ų11140%0.39760%0.598SS.*Hα-helixtrans-63.7-39173.400000112.4L29 L31 L36 W37L29-A33 WeakPolarHBondContact O-CB 3.35Å; L29-A33 PolarHBondContact O-N 2.91Å; L31-A33 VanDerWaalsContact C-N 3.34Å; L31-A33 PolarHBondContact O-N 2.8Å; A33-L36 PolarHBondContact O-N 2.99Å; A33-W37 PolarHBondContact O-N 2.82Å
34A48.9Very low48.5Very low65 Ų65107.1 Ų107.154%0.53759%0.587SS.*Hα-helixtrans-67.5-36.6176.100000112.9T30 L31 L36 W37T30-A34 WeakPolarHBondContact O-CB 3.32Å; T30-A34 PolarHBondContact O-N 2.89Å; L31-A34 PolarHBondContact O-N 3.14Å; A34-L36 VanDerWaalsContact C-N 3.33Å; A34-W37 PolarHBondContact O-N 2.85Å; A34-W37 VanDerWaalsContact O-N 3.14Å
35V47.9Very low50.3Low98 Ų98102.5 Ų102.559%0.59458%0.581SS**Hα-helixtrans-67-34.5173.9172.50000111.6L31 C32 W37 L38L31-V35 WeakPolarHBondContact O-CG2 3.49Å; L31-V35 PolarHBondContact O-N 3.49Å; C32-V35 PolarHBondContact O-N 2.88Å; V35-W37 PolarHBondContact O-N 2.89Å; V35-L38 PolarHBondContact O-N 2.86Å
36L42Very low52.1Low145 Ų14594.8 Ų94.876%0.75955%0.554SS**THydrogen-bonded Turntrans-75.41.6172.5-69169.3000114.1C32 A33 A34C32-L36 WeakPolarHBondContact O-CG 3.43Å; C32-L36 PolarHBondContact O-N 2.87Å; C32-L36 VanDerWaalsContact O-N 3.07Å; A33-L36 PolarHBondContact O-N 2.99Å; A34-L36 VanDerWaalsContact C-N 3.33Å
37W40Very low54Low227 Ų22796 Ų9686%0.8655%0.552SS**THydrogen-bonded Turntrans-116.816.2174.6-81.858.6000112.5A33 A34 V35A33-W37 PolarHBondContact O-N 2.82Å; A34-W37 PolarHBondContact O-N 2.85Å; A34-W37 VanDerWaalsContact O-N 3.14Å; V35-W37 PolarHBondContact O-N 2.89Å
38L41.1Very low55.6Low123 Ų12392.9 Ų92.964%0.64454%0.539SS*.SBendtrans-65.1133.5155.9-72.1167.9000108.5V35 E40V35-L38 PolarHBondContact O-N 2.86Å; L38-E40 PolarHBondContact O-N 2.82Å
39P38.8Very low57Low119 Ų11997 Ų9777%0.77355%0.552SS**  trans-63.9122.1171.327.1-32.6000108.7A41P39-A41 PolarHBondContact O-N 3.14Å
40E36.8Very low58.4Low177 Ų17797.2 Ų97.283%0.82755%0.552SS**  trans-63.1100.6175.1-69.7-173.8133.500109.5L38 S42L38-E40 PolarHBondContact O-N 2.82Å; E40-S42 VanDerWaalsContact C-N 3.33Å; E40-S42 PolarHBondContact O-N 2.88Å; E40-S42 PolarHBondContact O-OG 3.37Å
41A43.4Very low59.8Low71 Ų7194.4 Ų94.459%0.58754%0.535SS*.  trans-61.196.9169.200000107.9P39 G43P39-A41 PolarHBondContact O-N 3.14Å; A41-G43 PolarHBondContact O-N 2.89Å
42S49.4Very low61.8Low82 Ų8289 Ų8957%0.57351%0.507SS*.  trans-80.729.6-153.9-23.20000114E40 A68E40-S42 VanDerWaalsContact C-N 3.33Å; E40-S42 PolarHBondContact O-N 2.88Å; E40-S42 PolarHBondContact O-OG 3.37Å; S42-A68 WeakPolarHBondContact O-CB 3.42Å
43G58.4Low64Low14 Ų1491.8 Ų91.814%0.14452%0.516CS..  trans-118.5120.7-177.300000111.5A41 T71A41-G43 PolarHBondContact O-N 2.89Å; G43-T71 WeakPolarHBondContact O-CG2 3.4Å; G43-T71 PolarHBondContact O-OG1 2.83Å
44S71.9Confident66.2Low60 Ų6091.2 Ų91.242%0.4251%0.509SS..PPolyproline II helixtrans-50.9143.8171.653.60000111.2P70 T71S44-P70 CarbonylContact O-C 3.52Å; S44-P70 WeakPolarHBondContact O-CA 3.29Å; S44-P70 WeakPolarHBondContact O-CB 3.41Å; S44-T71 PolarHBondContact O-N 3.05Å; S44-T71 PolarHBondContact O-OG1 2.78Å
45T82.7Confident68.3Low107 Ų10790.8 Ų90.866%0.65651%0.505SS*.BIsolated β-bridgetrans-60.6141.5173.146.10000110.9N47 T71T45-N47 PolarHBondContact O-N 2.78Å; T45-T71 WeakPolarHBondContact CA-OG1 3.42Å
46L87.1Confident70.4Confident31 Ų3191.4 Ų91.416%0.16251%0.514CS..PPolyproline II helixtrans-61126.6179.4-17772.3000110.4C52 V59 P70 T71 L73 P74L46-C52 HydrophobicContact CD1-CB 3.86Å; L46-C52 WeakPolarHBondContact CD1-SG 3.44Å; L46-V59 HydrophobicContact CD1-CG1 4.05Å; L46-V59 HydrophobicContact CD2-CG1 4.35Å; L46-P70 HydrophobicContact CB-CB 4.24Å; L46-P70 HydrophobicContact CD1-CB 4Å; L46-P70 HydrophobicContact CD1-CG 4.46Å; L46-T71 WeakPolarHBondContact CB-O 3.42Å; L46-T71 PolarHBondContact N-O 3.05Å; L46-L73 HydrophobicContact CD2-CD2 4.43Å; L46-P74 HydrophobicContact CD2-CG 4.11Å
47N86.9Confident72.9Confident61 Ų6187.4 Ų87.433%0.32649%0.494SS..  trans-131.5103.3175.5-173.4-36.2000109.8T45 H49 I50 T51 C52T45-N47 PolarHBondContact O-N 2.78Å; N47-H49 PolarHBondContact O-N 2.95Å; N47-H49 PolarHBondContact OD1-N 2.84Å; N47-I50 HydrophobicContact CB-CB 4.24Å; N47-I50 PolarHBondContact O-N 2.87Å; N47-I50 PolarHBondContact OD1-N 2.65Å; N47-T51 PolarHBondContact N-OG1 3.15Å; N47-T51 PolarHBondContact O-N 3.44Å; N47-T51 PolarHBondContact O-OG1 3.01Å; N47-C52 PolarHBondContact O-N 2.92Å; N47-C52 VanDerWaalsContact O-N 3.07Å
48C87.6Confident75.6Confident42 Ų4280.2 Ų80.228%0.28447%0.471SS..THydrogen-bonded Turntrans-63.66.3-178.3-64.30000116.1C52 C54C48-C52 CarbonylContact C-O 3.57Å; C48-C52 WeakPolarHBondContact CA-O 3.37Å; C48-C52 VanDerWaalsContact O-O 3.13Å; C48-C54 VanDerWaalsContact CA-SG 3.55Å; C48-C54 HydrophobicContact CB-CB 3.54Å; C48-C54 WeakPolarHBondContact CB-SG 3.49Å; C48-C54 WeakPolarHBondContact SG-CB 3.34Å; C48-C54 CovalentContact SG-SG 2.03Å; C48-C54 PolarHBondContact SG-SG 2.86Å
49H82Confident78.3Confident178 Ų17874.3 Ų74.382%0.82444%0.44SS*.THydrogen-bonded Turntrans-128.4-9173.2-60.4-55.3000114N47 C52N47-H49 PolarHBondContact O-N 2.95Å; N47-H49 PolarHBondContact OD1-N 2.84Å; H49-C52 PolarHBondContact N-O 3.35Å
50I81.9Confident81Confident122 Ų12270.2 Ų70.263%0.62641%0.414SS*.THydrogen-bonded Turntrans-130.2-43.9-172.5-56.1-176.1000112.4N47 M64N47-I50 HydrophobicContact CB-CB 4.24Å; N47-I50 PolarHBondContact O-N 2.87Å; N47-I50 PolarHBondContact OD1-N 2.65Å; I50-M64 WeakPolarHBondContact O-CE 3.35Å
51T82.6Confident83.9Confident27 Ų2761.8 Ų61.817%0.16638%0.375CS..THydrogen-bonded Turntrans-106.4-21.8-177.853.10000113.4N47 M64N47-T51 PolarHBondContact N-OG1 3.15Å; N47-T51 PolarHBondContact O-N 3.44Å; N47-T51 PolarHBondContact O-OG1 3.01Å; T51-M64 WeakPolarHBondContact O-CG 3.48Å
52C92.6Very high86.4Confident6 Ų659.8 Ų59.84%0.04136%0.356CS..  trans-149.3168176.2-52.40000110.7L46 N47 C48 H49 V59 S60 C61L46-C52 HydrophobicContact CD1-CB 3.86Å; L46-C52 WeakPolarHBondContact CD1-SG 3.44Å; N47-C52 PolarHBondContact O-N 2.92Å; N47-C52 VanDerWaalsContact O-N 3.07Å; C48-C52 CarbonylContact C-O 3.57Å; C48-C52 WeakPolarHBondContact CA-O 3.37Å; C48-C52 VanDerWaalsContact O-O 3.13Å; H49-C52 PolarHBondContact N-O 3.35Å; C52-V59 HydrophobicContact CB-CG1 4.28Å; C52-S60 CarbonylContact C-O 3.1Å; C52-S60 WeakPolarHBondContact CA-O 3.47Å; C52-S60 WeakPolarHBondContact CB-O 3.41Å; C52-C61 HydrophobicContact CB-CB 3.95Å; C52-C61 WeakPolarHBondContact CB-SG 3.48Å; C52-C61 WeakPolarHBondContact SG-CB 3.28Å; C52-C61 CovalentContact SG-SG 2.03Å; C52-C61 PolarHBondContact SG-SG 2.91Å
53I93.8Very high88.6Confident124 Ų12462.8 Ų62.864%0.63636%0.359SS*.EExtended strand (participates in β ladder)trans-106.1127.1167.6-59.5171.1000107.5S60I53-S60 PolarHBondContact N-O 3.1Å; I53-S60 PolarHBondContact O-N 2.61Å
54C94.4Very high90.3Very high37 Ų3766 Ų6625%0.2537%0.372CS..EExtended strand (participates in β ladder)trans-116.6124.3177-52.10000110C48 I58 V59C48-C54 VanDerWaalsContact CA-SG 3.55Å; C48-C54 HydrophobicContact CB-CB 3.54Å; C48-C54 WeakPolarHBondContact CB-SG 3.49Å; C48-C54 WeakPolarHBondContact SG-CB 3.34Å; C48-C54 CovalentContact SG-SG 2.03Å; C48-C54 PolarHBondContact SG-SG 2.86Å; C54-I58 CarbonylContact C-O 3.54Å; C54-I58 WeakPolarHBondContact CA-O 3.48Å; C54-V59 HydrophobicContact CB-CG2 4.45Å
55A92.2Very high91.3Very high56 Ų5670 Ų7046%0.46339%0.388SS..EExtended strand (participates in β ladder)trans-137.9111.4-176.600000110.5N57 I58A55-N57 PolarHBondContact O-N 3.25Å; A55-I58 PolarHBondContact N-O 2.91Å; A55-I58 PolarHBondContact O-N 2.77Å
56S92.8Very high91.9Very high111 Ų11165.7 Ų65.778%0.77636%0.361SS*.THydrogen-bonded Turntrans53.4-102.4-172.3-173.10000112Y76S56-Y76 WeakPolarHBondContact O-CE2 2.91Å
57N94.9Very high92.2Very high61 Ų6168.3 Ų68.333%0.32638%0.382SS..THydrogen-bonded Turntrans-109.95179.257.4-2.5000113.8A55 Y76 T77 T78 V79A55-N57 PolarHBondContact O-N 3.25Å; N57-Y76 WeakPolarHBondContact CB-O 3.36Å; N57-T77 CarbonylContact O-C 3.52Å; N57-T77 WeakPolarHBondContact O-CA 3.33Å; N57-T78 HydrophobicContact CB-CG2 3.97Å; N57-T78 WeakPolarHBondContact CB-OG1 3.48Å; N57-T78 PolarHBondContact ND2-OG1 2.77Å; N57-T78 VanDerWaalsContact ND2-OG1 3.08Å; N57-T78 PolarHBondContact O-N 2.84Å; N57-T78 PolarHBondContact O-OG1 2.86Å; N57-V79 PolarHBondContact O-N 2.87Å
58I97.1Very high92.5Very high75 Ų7566.8 Ų66.839%0.38538%0.378SS..EExtended strand (participates in β ladder)trans-98.3133177-54.4179.4000109.4C54 A55 V79C54-I58 CarbonylContact C-O 3.54Å; C54-I58 WeakPolarHBondContact CA-O 3.48Å; A55-I58 PolarHBondContact N-O 2.91Å; A55-I58 PolarHBondContact O-N 2.77Å; I58-V79 HydrophobicContact CB-CB 4.49Å; I58-V79 HydrophobicContact CG1-CB 4.19Å; I58-V79 HydrophobicContact CG1-CG2 4.32Å; I58-V79 HydrophobicContact CG2-CB 4.21Å; I58-V79 HydrophobicContact CG2-CG1 4.36Å
59V96.6Very high92.9Very high0 Ų065.3 Ų65.30%037%0.368CS..EExtended strand (participates in β ladder)trans-122.3111.1168.9177.90000107.8L46 C52 C54 P74 T77 V79 L80 D81L46-V59 HydrophobicContact CD1-CG1 4.05Å; L46-V59 HydrophobicContact CD2-CG1 4.35Å; C52-V59 HydrophobicContact CB-CG1 4.28Å; C54-V59 HydrophobicContact CB-CG2 4.45Å; V59-P74 HydrophobicContact CG2-CG 4.38Å; V59-T77 HydrophobicContact CB-CG2 4.1Å; V59-T77 HydrophobicContact CG2-CG2 3.88Å; V59-V79 PolarHBondContact N-O 3.49Å; V59-L80 HydrophobicContact CB-CD1 4.04Å; V59-L80 HydrophobicContact CG1-CD1 3.92Å; V59-L80 WeakPolarHBondContact O-CA 3.04Å; V59-D81 PolarHBondContact O-N 2.91Å
60S97Very high93.4Very high33 Ų3356.9 Ų56.923%0.23133%0.328CS..EExtended strand (participates in β ladder)trans-112.4122175.7175.20000110.8C52 I53 D81C52-S60 CarbonylContact C-O 3.1Å; C52-S60 WeakPolarHBondContact CA-O 3.47Å; C52-S60 WeakPolarHBondContact CB-O 3.41Å; I53-S60 PolarHBondContact N-O 3.1Å; I53-S60 PolarHBondContact O-N 2.61Å; S60-D81 WeakPolarHBondContact CB-OD2 3.43Å; S60-D81 PolarHBondContact OG-OD2 3.28Å
61C96.1Very high93.8Very high0 Ų053.4 Ų53.40%031%0.313CS..  trans-116.824179-53.70000110.2C52 M64 L66 D81 L82 N85C52-C61 HydrophobicContact CB-CB 3.95Å; C52-C61 WeakPolarHBondContact CB-SG 3.48Å; C52-C61 WeakPolarHBondContact SG-CB 3.28Å; C52-C61 CovalentContact SG-SG 2.03Å; C52-C61 PolarHBondContact SG-SG 2.91Å; C61-M64 WeakPolarHBondContact O-CG 3.46Å; C61-L66 HydrophobicContact CB-CD1 3.76Å; C61-D81 PolarHBondContact N-O 3.17Å; C61-L82 HydrophobicContact CB-CD2 3.87Å; C61-N85 PolarHBondContact O-ND2 2.85Å
62S96.4Very high94Very high28 Ų2855 Ų5520%0.19633%0.334CS..THydrogen-bonded Turntrans-71.3139.6-171.6-172.20000112.3D81 S83S62-D81 WeakPolarHBondContact CB-OD2 3.49Å; S62-S83 VanDerWaalsContact CA-O 3.23Å; S62-S83 WeakPolarHBondContact CA-O 3.33Å; S62-S83 WeakPolarHBondContact CB-OG 3.44Å; S62-S83 PolarHBondContact OG-O 3.48Å; S62-S83 VanDerWaalsContact OG-O 3.13Å; S62-S83 PolarHBondContact OG-OG 3.36Å
63K95.2Very high94Very high146 Ų14655.1 Ų55.164%0.63534%0.335SS*.THydrogen-bonded Turntrans62.538.3178.1-55.5170-173.71700114.2S83 Y84K63-S83 PolarHBondContact N-O 2.93Å; K63-Y84 VanDerWaalsContact CA-O 3.31Å; K63-Y84 WeakPolarHBondContact CA-O 3.44Å; K63-Y84 VanDerWaalsContact CG-CB 3.5Å; K63-Y84 HydrophobicContact CG-CD2 4.46Å; K63-Y84 HydrophobicContact CG-CG 4.09Å; K63-Y84 PolarHBondContact N-O 3.31Å
64M94Very high93.9Very high82 Ų8250.3 Ų50.340%0.40431%0.311SS..SBendtrans-112.218-176.8-61.5-60-64.500113I50 T51 C61 L66 N85I50-M64 WeakPolarHBondContact O-CE 3.35Å; T51-M64 WeakPolarHBondContact O-CG 3.48Å; C61-M64 WeakPolarHBondContact O-CG 3.46Å; M64-L66 HydrophobicContact CB-CD1 4.23Å; M64-L66 HydrophobicContact CB-CD2 4.36Å; M64-L66 HydrophobicContact CB-CG 3.91Å; M64-L66 PolarHBondContact O-N 2.03Å; M64-N85 PolarHBondContact N-OD1 2.86Å
65D93.7Very high93.9Very high143 Ų14353.3 Ų53.377%0.76533%0.325SS*.  trans50.227.2-179.3-69.7-39.4000115.2S67 N85D65-S67 PolarHBondContact O-N 3.04Å; D65-N85 PolarHBondContact N-OD1 3.23Å; D65-N85 VanDerWaalsContact N-OD1 3.14Å
66L94.4Very high93.9Very high16 Ų1656.8 Ų56.88%0.08433%0.327CS..  trans-68.4124.6-173.3-61.1174.7000111.7C61 M64 P70 L82 N85 A86 I87C61-L66 HydrophobicContact CB-CD1 3.76Å; M64-L66 HydrophobicContact CB-CD1 4.23Å; M64-L66 HydrophobicContact CB-CD2 4.36Å; M64-L66 HydrophobicContact CB-CG 3.91Å; M64-L66 PolarHBondContact O-N 2.03Å; L66-P70 HydrophobicContact CD1-CG 3.85Å; L66-L82 HydrophobicContact CD1-CD2 4.32Å; L66-N85 HydrophobicContact CB-CB 4.13Å; L66-N85 PolarHBondContact N-OD1 2.92Å; L66-A86 CarbonylContact O-C 3.18Å; L66-A86 VanDerWaalsContact O-CA 3.31Å; L66-A86 WeakPolarHBondContact O-CA 3.38Å; L66-A86 WeakPolarHBondContact O-CB 3.4Å; L66-A86 PolarHBondContact O-N 3.19Å; L66-I87 VanDerWaalsContact O-CG1 3.27Å; L66-I87 WeakPolarHBondContact O-CG1 3.4Å; L66-I87 PolarHBondContact O-N 2.82Å; L66-I87 VanDerWaalsContact O-N 3.12Å
67S94.5Very high94.1Very high87 Ų8751.5 Ų51.561%0.60829%0.29SS*.SBendtrans-83.7-15.9174.3550000113.8D65D65-S67 PolarHBondContact O-N 3.04Å
68A93.7Very high94.2Very high28 Ų2850 Ų5023%0.23128%0.282CS..SBendtrans-149.3163.4178.900000110.5S42S42-A68 WeakPolarHBondContact O-CB 3.42Å
69V94.2Very high94.3Very high12 Ų1247.9 Ų47.97%0.07327%0.273CS..PPolyproline II helixtrans-69.9136.1176.4-1710000110.3L73 L82 I87 L90 W94V69-L73 HydrophobicContact CG1-CD1 4.22Å; V69-L82 HydrophobicContact CB-CD1 4.48Å; V69-L82 HydrophobicContact CG1-CD1 3.7Å; V69-L82 HydrophobicContact CG1-CD2 4.1Å; V69-L82 HydrophobicContact CG2-CD1 4.05Å; V69-I87 HydrophobicContact CG2-CD1 4.13Å; V69-L90 HydrophobicContact CG2-CD1 4.25Å; V69-W94 HydrophobicContact CB-CE3 4.12Å; V69-W94 HydrophobicContact CG1-CE3 3.75Å; V69-W94 HydrophobicContact CG1-CZ3 4.06Å; V69-W94 HydrophobicContact CG2-CB 4.32Å; V69-W94 HydrophobicContact CG2-CE3 3.99Å
70P92.4Very high94.4Very high0 Ų047.9 Ų47.90%027%0.273CS..PPolyproline II helixtrans-63.3140.5176.5-24.635.8000113.2S44 L46 L66S44-P70 CarbonylContact O-C 3.52Å; S44-P70 WeakPolarHBondContact O-CA 3.29Å; S44-P70 WeakPolarHBondContact O-CB 3.41Å; L46-P70 HydrophobicContact CB-CB 4.24Å; L46-P70 HydrophobicContact CD1-CB 4Å; L46-P70 HydrophobicContact CD1-CG 4.46Å; L66-P70 HydrophobicContact CD1-CG 3.85Å
71T90.4Very high94.4Very high49 Ų4947.4 Ų47.430%0.30127%0.268SS..BIsolated β-bridgetrans-84.2145.6-17951.40000112G43 S44 T45 L46G43-T71 WeakPolarHBondContact O-CG2 3.4Å; G43-T71 PolarHBondContact O-OG1 2.83Å; S44-T71 PolarHBondContact O-N 3.05Å; S44-T71 PolarHBondContact O-OG1 2.78Å; T45-T71 WeakPolarHBondContact CA-OG1 3.42Å; L46-T71 WeakPolarHBondContact CB-O 3.42Å; L46-T71 PolarHBondContact N-O 3.05Å
72G87.6Confident94.5Very high60 Ų6047.4 Ų47.462%0.61927%0.268SS*.  trans88.237.5178.400000115.5
73L92.9Very high94.6Very high10 Ų1046.5 Ų46.55%0.05226%0.262CS..  trans-60.7135.6178-63.1167.5000112.5L46 V69 L80 W94 L99L46-L73 HydrophobicContact CD2-CD2 4.43Å; V69-L73 HydrophobicContact CG1-CD1 4.22Å; L73-L80 HydrophobicContact CD1-CD2 3.73Å; L73-L80 HydrophobicContact CD2-CD1 3.95Å; L73-L80 HydrophobicContact CD2-CD2 4.09Å; L73-W94 HydrophobicContact CD1-CE3 4.26Å; L73-W94 HydrophobicContact CD1-CZ3 3.67Å; L73-L99 HydrophobicContact CB-CD1 4.2Å; L73-L99 HydrophobicContact CB-CD2 4.21Å; L73-L99 HydrophobicContact CD1-CD1 4.02Å
74P92.4Very high94.7Very high22 Ų2244.7 Ų44.714%0.14325%0.252CS..  trans-68.4138-178-2031.1000113.8L46 V59 Y76 T77L46-P74 HydrophobicContact CD2-CG 4.11Å; V59-P74 HydrophobicContact CG2-CG 4.38Å; P74-Y76 HydrophobicContact CB-CD1 3.99Å; P74-Y76 HydrophobicContact CB-CD2 4.06Å; P74-Y76 HydrophobicContact CB-CE1 3.61Å; P74-Y76 HydrophobicContact CB-CE2 3.66Å; P74-Y76 HydrophobicContact CB-CG 4.21Å; P74-Y76 VanDerWaalsContact CB-CZ 3.43Å; P74-Y76 HydrophobicContact CG-CE2 4.19Å; P74-Y76 PolarHBondContact O-N 2.99Å; P74-Y76 VanDerWaalsContact O-N 3.11Å; P74-T77 WeakPolarHBondContact CD-OG1 3.26Å; P74-T77 WeakPolarHBondContact O-CB 3.29Å; P74-T77 PolarHBondContact O-N 3.49Å; P74-T77 PolarHBondContact O-OG1 2.83Å
75L92.9Very high94.9Very high101 Ų10141.3 Ų41.353%0.52924%0.236SC..THydrogen-bonded Turntrans-59.4-22.9178.7-71.4170.9000114.9V97 K98 N101L75-V97 HydrophobicContact CD2-CG1 3.44Å; L75-V97 VanDerWaalsContact CD2-CG1 3.44Å; L75-V97 HydrophobicContact CG-CG1 4.34Å; L75-K98 VanDerWaalsContact CD2-O 3.28Å; L75-K98 WeakPolarHBondContact CD2-O 3.48Å; L75-N101 PolarHBondContact O-ND2 3.38Å
76Y93.4Very high95.1Very high129 Ų12936.1 Ų36.151%0.50621%0.212SC..THydrogen-bonded Turntrans-87.6-2.4178.957.3-109.3000113.7S56 N57 P74 T78S56-Y76 WeakPolarHBondContact O-CE2 2.91Å; N57-Y76 WeakPolarHBondContact CB-O 3.36Å; P74-Y76 HydrophobicContact CB-CD1 3.99Å; P74-Y76 HydrophobicContact CB-CD2 4.06Å; P74-Y76 HydrophobicContact CB-CE1 3.61Å; P74-Y76 HydrophobicContact CB-CE2 3.66Å; P74-Y76 HydrophobicContact CB-CG 4.21Å; P74-Y76 VanDerWaalsContact CB-CZ 3.43Å; P74-Y76 HydrophobicContact CG-CE2 4.19Å; P74-Y76 PolarHBondContact O-N 2.99Å; P74-Y76 VanDerWaalsContact O-N 3.11Å; Y76-T78 PolarHBondContact O-N 2.84Å
77T96.4Very high95.3Very high0 Ų035.4 Ų35.40%021%0.209CC..  trans-62.9122.8-177.4-500000110.7N57 V59 P74 V79 L80 N101 L102N57-T77 CarbonylContact O-C 3.52Å; N57-T77 WeakPolarHBondContact O-CA 3.33Å; V59-T77 HydrophobicContact CB-CG2 4.1Å; V59-T77 HydrophobicContact CG2-CG2 3.88Å; P74-T77 WeakPolarHBondContact CD-OG1 3.26Å; P74-T77 WeakPolarHBondContact O-CB 3.29Å; P74-T77 PolarHBondContact O-N 3.49Å; P74-T77 PolarHBondContact O-OG1 2.83Å; T77-V79 WeakPolarHBondContact CG2-O 3.46Å; T77-L80 HydrophobicContact CG2-CB 4.18Å; T77-N101 CarbonylContact O-C 3.52Å; T77-L102 HydrophobicContact CG2-CD1 3.88Å; T77-L102 WeakPolarHBondContact O-CA 3.24Å; T77-L102 PolarHBondContact O-N 3.11Å
78T97.8Very high95.4Very high28 Ų2834.2 Ų34.217%0.17220%0.196CC..SBendtrans-102.6-31.917555.60000112.6N57 Y76 N101 H103 N104N57-T78 HydrophobicContact CB-CG2 3.97Å; N57-T78 WeakPolarHBondContact CB-OG1 3.48Å; N57-T78 PolarHBondContact ND2-OG1 2.77Å; N57-T78 VanDerWaalsContact ND2-OG1 3.08Å; N57-T78 PolarHBondContact O-N 2.84Å; N57-T78 PolarHBondContact O-OG1 2.86Å; Y76-T78 PolarHBondContact O-N 2.84Å; T78-N101 VanDerWaalsContact CA-O 3.31Å; T78-N101 WeakPolarHBondContact CA-O 3.32Å; T78-N101 HydrophobicContact CG2-CB 4.21Å; T78-N101 WeakPolarHBondContact CG2-O 3.32Å; T78-H103 PolarHBondContact O-N 3.18Å; T78-N104 PolarHBondContact O-N 3.29Å
79V98.3Very high95.5Very high32 Ų3239.7 Ų39.719%0.19421%0.21CC..EExtended strand (participates in β ladder)trans-125.4118.5176.5-175.50000108.4N57 I58 V59 T77 N104N57-V79 PolarHBondContact O-N 2.87Å; I58-V79 HydrophobicContact CB-CB 4.49Å; I58-V79 HydrophobicContact CG1-CB 4.19Å; I58-V79 HydrophobicContact CG1-CG2 4.32Å; I58-V79 HydrophobicContact CG2-CB 4.21Å; I58-V79 HydrophobicContact CG2-CG1 4.36Å; V59-V79 PolarHBondContact N-O 3.49Å; T77-V79 WeakPolarHBondContact CG2-O 3.46Å; V79-N104 WeakPolarHBondContact CA-O 3.44Å; V79-N104 HydrophobicContact CB-CB 4.41Å; V79-N104 HydrophobicContact CG1-CB 4.13Å; V79-N104 HydrophobicContact CG2-CB 4.15Å
80L97.8Very high95.6Very high0 Ų039.1 Ų39.10%021%0.207CC..EExtended strand (participates in β ladder)trans-113.4114.4171.5178.956.9000108.9V59 L73 T77 L82 W94 L102 N104 L105 L106V59-L80 HydrophobicContact CB-CD1 4.04Å; V59-L80 HydrophobicContact CG1-CD1 3.92Å; V59-L80 WeakPolarHBondContact O-CA 3.04Å; L73-L80 HydrophobicContact CD1-CD2 3.73Å; L73-L80 HydrophobicContact CD2-CD1 3.95Å; L73-L80 HydrophobicContact CD2-CD2 4.09Å; T77-L80 HydrophobicContact CG2-CB 4.18Å; L80-L82 HydrophobicContact CD1-CD1 4.24Å; L80-L82 HydrophobicContact CD1-CG 4.17Å; L80-L82 HydrophobicContact CD2-CD1 3.84Å; L80-L82 HydrophobicContact CG-CD1 3.8Å; L80-L82 HydrophobicContact CG-CG 4.13Å; L80-W94 HydrophobicContact CD2-CH2 4.06Å; L80-W94 HydrophobicContact CD2-CZ3 3.77Å; L80-L102 HydrophobicContact CB-CD1 3.63Å; L80-L102 HydrophobicContact CB-CD2 4.5Å; L80-N104 PolarHBondContact N-O 3.38Å; L80-L105 HydrophobicContact CB-CD1 4.14Å; L80-L105 HydrophobicContact CD2-CD1 4.03Å; L80-L105 HydrophobicContact CG-CD1 4.06Å; L80-L105 WeakPolarHBondContact O-CA 3.45Å; L80-L106 PolarHBondContact O-N 3.03Å
81D98.4Very high95.6Very high22 Ų2243.4 Ų43.412%0.11823%0.225CC..EExtended strand (participates in β ladder)trans-108.7115178.7165.732.9000110.1V59 S60 C61 S62 S83 L106V59-D81 PolarHBondContact O-N 2.91Å; S60-D81 WeakPolarHBondContact CB-OD2 3.43Å; S60-D81 PolarHBondContact OG-OD2 3.28Å; C61-D81 PolarHBondContact N-O 3.17Å; S62-D81 WeakPolarHBondContact CB-OD2 3.49Å; D81-S83 VanDerWaalsContact OD1-CB 3.24Å; D81-S83 WeakPolarHBondContact OD1-CB 3.5Å; D81-S83 PolarHBondContact OD1-N 2.98Å; D81-S83 PolarHBondContact OD1-OG 3.12Å; D81-L106 HydrophobicContact CB-CB 4.38Å; D81-L106 HydrophobicContact CB-CD1 4.1Å; D81-L106 HydrophobicContact CB-CG 4.47Å
82L97.8Very high95.7Very high0 Ų043.3 Ų43.30%023%0.227CC..  trans-121.719.6178.4-70.2155.7000110.3C61 L66 V69 L80 N85 I87 L105 L106 L107 N110C61-L82 HydrophobicContact CB-CD2 3.87Å; L66-L82 HydrophobicContact CD1-CD2 4.32Å; V69-L82 HydrophobicContact CB-CD1 4.48Å; V69-L82 HydrophobicContact CG1-CD1 3.7Å; V69-L82 HydrophobicContact CG1-CD2 4.1Å; V69-L82 HydrophobicContact CG2-CD1 4.05Å; L80-L82 HydrophobicContact CD1-CD1 4.24Å; L80-L82 HydrophobicContact CD1-CG 4.17Å; L80-L82 HydrophobicContact CD2-CD1 3.84Å; L80-L82 HydrophobicContact CG-CD1 3.8Å; L80-L82 HydrophobicContact CG-CG 4.13Å; L82-N85 PolarHBondContact O-ND2 2.92Å; L82-I87 HydrophobicContact CB-CD1 4.34Å; L82-I87 HydrophobicContact CD2-CD1 4.45Å; L82-L105 HydrophobicContact CD1-CD1 4.24Å; L82-L106 CarbonylContact C-O 3.51Å; L82-L106 WeakPolarHBondContact CA-O 3.01Å; L82-L106 PolarHBondContact N-O 3.04Å; L82-L107 HydrophobicContact CB-CD2 3.79Å; L82-L107 HydrophobicContact CD1-CD2 3.92Å; L82-N110 PolarHBondContact O-ND2 2.76Å
83S98.3Very high95.8Very high10 Ų1044.2 Ų44.27%0.0722%0.217CC..  trans-64.3159.3-175.961.70000113.4S62 K63 D81 N85 L106 S108S62-S83 VanDerWaalsContact CA-O 3.23Å; S62-S83 WeakPolarHBondContact CA-O 3.33Å; S62-S83 WeakPolarHBondContact CB-OG 3.44Å; S62-S83 PolarHBondContact OG-O 3.48Å; S62-S83 VanDerWaalsContact OG-O 3.13Å; S62-S83 PolarHBondContact OG-OG 3.36Å; K63-S83 PolarHBondContact N-O 2.93Å; D81-S83 VanDerWaalsContact OD1-CB 3.24Å; D81-S83 WeakPolarHBondContact OD1-CB 3.5Å; D81-S83 PolarHBondContact OD1-N 2.98Å; D81-S83 PolarHBondContact OD1-OG 3.12Å; S83-N85 PolarHBondContact O-N 3.33Å; S83-N85 PolarHBondContact O-ND2 3.46Å; S83-N85 VanDerWaalsContact O-ND2 3.11Å; S83-L106 PolarHBondContact N-O 3.12Å; S83-S108 CarbonylContact C-O 2.95Å; S83-S108 WeakPolarHBondContact CA-O 3.36Å
84Y98.1Very high95.9Very high108 Ų10844.9 Ų44.942%0.42422%0.219SC..SBendtrans53.446.7177-59.9-86000113.7K63 S108 H109K63-Y84 VanDerWaalsContact CA-O 3.31Å; K63-Y84 WeakPolarHBondContact CA-O 3.44Å; K63-Y84 VanDerWaalsContact CG-CB 3.5Å; K63-Y84 HydrophobicContact CG-CD2 4.46Å; K63-Y84 HydrophobicContact CG-CG 4.09Å; K63-Y84 PolarHBondContact N-O 3.31Å; Y84-S108 PolarHBondContact N-O 3.02Å; Y84-H109 VanDerWaalsContact CA-O 3.27Å; Y84-H109 WeakPolarHBondContact CA-O 3.39Å; Y84-H109 HydrophobicContact CD1-CB 3.51Å; Y84-H109 AromaticContact CD1-CG 3.77Å; Y84-H109 HydrophobicContact CD2-CB 4.46Å; Y84-H109 HydrophobicContact CE1-CB 3.72Å; Y84-H109 AromaticContact CE1-CD2 3.66Å; Y84-H109 AromaticContact CE1-CG 3.4Å; Y84-H109 VanDerWaalsContact CE1-CG 3.4Å; Y84-H109 AromaticContact CE1-ND1 3.71Å; Y84-H109 HydrophobicContact CG-CB 3.9Å; Y84-H109 AromaticContact CZ-CD2 3.56Å; Y84-H109 AromaticContact CZ-CG 3.82Å
85N97.8Very high95.8Very high11 Ų1144.2 Ų44.26%0.05922%0.215CC..SBendtrans-122.6-174.9178.3-80.7-61.6000111C61 M64 D65 L66 L82 S83 I87 H109 N110C61-N85 PolarHBondContact O-ND2 2.85Å; M64-N85 PolarHBondContact N-OD1 2.86Å; D65-N85 PolarHBondContact N-OD1 3.23Å; D65-N85 VanDerWaalsContact N-OD1 3.14Å; L66-N85 HydrophobicContact CB-CB 4.13Å; L66-N85 PolarHBondContact N-OD1 2.92Å; L82-N85 PolarHBondContact O-ND2 2.92Å; S83-N85 PolarHBondContact O-N 3.33Å; S83-N85 PolarHBondContact O-ND2 3.46Å; S83-N85 VanDerWaalsContact O-ND2 3.11Å; N85-I87 HydrophobicContact CB-CD1 4.5Å; N85-I87 HydrophobicContact CB-CG1 4.24Å; N85-H109 PolarHBondContact N-O 3.31Å; N85-N110 WeakPolarHBondContact CA-OD1 3.47Å; N85-N110 WeakPolarHBondContact CB-OD1 3.48Å; N85-N110 WeakPolarHBondContact O-CA 3.49Å; N85-N110 PolarHBondContact O-OD1 3.44Å
86A97.7Very high95.5Very high34 Ų3445 Ų4528%0.28122%0.224SC..  trans-100.26.6-175.100000114.5L66 D88 N111L66-A86 CarbonylContact O-C 3.18Å; L66-A86 VanDerWaalsContact O-CA 3.31Å; L66-A86 WeakPolarHBondContact O-CA 3.38Å; L66-A86 WeakPolarHBondContact O-CB 3.4Å; L66-A86 PolarHBondContact O-N 3.19Å; A86-D88 PolarHBondContact O-N 2.94Å; A86-N111 WeakPolarHBondContact CA-ND2 3.35Å; A86-N111 WeakPolarHBondContact O-CB 3.35Å; A86-N111 PolarHBondContact O-ND2 3.09Å
87I97.4Very high95.4Very high1 Ų141.4 Ų41.41%0.00522%0.215CC..  trans-61.2124.1-167.2-50.9173.9000111.5L66 V69 L82 N85 L107 N110 N111 L112L66-I87 VanDerWaalsContact O-CG1 3.27Å; L66-I87 WeakPolarHBondContact O-CG1 3.4Å; L66-I87 PolarHBondContact O-N 2.82Å; L66-I87 VanDerWaalsContact O-N 3.12Å; V69-I87 HydrophobicContact CG2-CD1 4.13Å; L82-I87 HydrophobicContact CB-CD1 4.34Å; L82-I87 HydrophobicContact CD2-CD1 4.45Å; N85-I87 HydrophobicContact CB-CD1 4.5Å; N85-I87 HydrophobicContact CB-CG1 4.24Å; I87-L107 HydrophobicContact CD1-CD2 4.29Å; I87-N110 WeakPolarHBondContact CB-OD1 3.23Å; I87-N110 WeakPolarHBondContact CG1-OD1 3.35Å; I87-N110 PolarHBondContact N-OD1 3.34Å; I87-N110 VanDerWaalsContact N-OD1 3.07Å; I87-N111 CarbonylContact O-C 3.01Å; I87-N111 VanDerWaalsContact O-CA 3.26Å; I87-N111 WeakPolarHBondContact O-CA 3.43Å; I87-N111 WeakPolarHBondContact O-CB 3.26Å; I87-N111 PolarHBondContact O-N 2.88Å; I87-L112 HydrophobicContact CB-CD2 4.31Å; I87-L112 HydrophobicContact CG2-CD2 3.79Å; I87-L112 PolarHBondContact O-N 3.32Å
88D96.8Very high95.3Very high62 Ų6247.8 Ų47.833%0.33224%0.243SC..  trans-97.1-22.5-174.689.8-45.5000114.8A86 N111 L112 R113A86-D88 PolarHBondContact O-N 2.94Å; D88-N111 HydrophobicContact CB-CB 4.34Å; D88-L112 WeakPolarHBondContact O-CA 3.19Å; D88-R113 PolarHBondContact O-N 3.45Å
89R96Very high95.2Very high143 Ų14346.4 Ų46.454%0.5424%0.235SC..EExtended strand (participates in β ladder)trans-146.4139.8-174.5-65.4163.4-157.6-126.31.1111.7F114R89-F114 HydrophobicContact CB-CD1 4.46Å; R89-F114 HydrophobicContact CG-CB 4.24Å; R89-F114 HydrophobicContact CG-CD1 4.46Å
90L96.6Very high95Very high0 Ų047.8 Ų47.80%024%0.244CC..EExtended strand (participates in β ladder)trans-10589.3165-159.571.2000109.1V69 W94 L107 L112 F114 L115 S116 A119 F120V69-L90 HydrophobicContact CG2-CD1 4.25Å; L90-W94 HydrophobicContact CD1-CB 3.93Å; L90-W94 HydrophobicContact CD1-CD2 3.88Å; L90-W94 HydrophobicContact CD1-CG 3.56Å; L90-W94 HydrophobicContact CG-CG 4.05Å; L90-L107 HydrophobicContact CD1-CD1 4.23Å; L90-L107 HydrophobicContact CD2-CD1 4.01Å; L90-L112 HydrophobicContact CB-CD2 4.39Å; L90-F114 PolarHBondContact N-O 3.3Å; L90-L115 HydrophobicContact CB-CD2 3.68Å; L90-L115 HydrophobicContact CD2-CD2 4.15Å; L90-S116 PolarHBondContact O-N 3.41Å; L90-A119 HydrophobicContact CD2-CB 4Å; L90-A119 HydrophobicContact CG-CB 4.08Å; L90-F120 HydrophobicContact CD2-CE1 3.9Å; L90-F120 HydrophobicContact CD2-CZ 3.86Å
91K93.6Very high94.9Very high90 Ų9051.2 Ų51.239%0.39126%0.262SS..  trans-73.5164.1176-58.1177.1-172.6170.50111.2D93 W94K91-D93 WeakPolarHBondContact CB-OD1 3.35Å; K91-D93 WeakPolarHBondContact CD-OD1 3.23Å; K91-D93 PolarHBondContact O-N 3.42Å; K91-W94 PolarHBondContact O-N 2.98Å
92S92.5Very high94.9Very high47 Ų4750.1 Ų50.133%0.32926%0.257SS..THydrogen-bonded Turntrans-63.4-24.7177.255.70000114.6
93D89.6Confident94.9Very high79 Ų7952.8 Ų52.842%0.42227%0.269SS..THydrogen-bonded Turntrans-87.74.4179.663.6-30.8000114.7K91 T95K91-D93 WeakPolarHBondContact CB-OD1 3.35Å; K91-D93 WeakPolarHBondContact CD-OD1 3.23Å; K91-D93 PolarHBondContact O-N 3.42Å; D93-T95 PolarHBondContact O-N 2.9Å; D93-T95 VanDerWaalsContact O-N 3.14Å
94W93.6Very high95Very high23 Ų2355 Ų559%0.08728%0.28CS..SBendtrans-57.6-31.9-17681.3-95.7000113.8V69 L73 L80 L90 K91 L105 A119 V123V69-W94 HydrophobicContact CB-CE3 4.12Å; V69-W94 HydrophobicContact CG1-CE3 3.75Å; V69-W94 HydrophobicContact CG1-CZ3 4.06Å; V69-W94 HydrophobicContact CG2-CB 4.32Å; V69-W94 HydrophobicContact CG2-CE3 3.99Å; L73-W94 HydrophobicContact CD1-CE3 4.26Å; L73-W94 HydrophobicContact CD1-CZ3 3.67Å; L80-W94 HydrophobicContact CD2-CH2 4.06Å; L80-W94 HydrophobicContact CD2-CZ3 3.77Å; L90-W94 HydrophobicContact CD1-CB 3.93Å; L90-W94 HydrophobicContact CD1-CD2 3.88Å; L90-W94 HydrophobicContact CD1-CG 3.56Å; L90-W94 HydrophobicContact CG-CG 4.05Å; K91-W94 PolarHBondContact O-N 2.98Å; W94-L105 HydrophobicContact CH2-CD1 4.37Å; W94-L105 HydrophobicContact CH2-CD2 4.06Å; W94-L105 HydrophobicContact CZ2-CD2 3.95Å; W94-A119 PolarHBondContact NE1-O 3.25Å; W94-V123 HydrophobicContact CH2-CG1 4.09Å; W94-V123 HydrophobicContact CZ2-CG1 3.83Å; W94-V123 HydrophobicContact CZ2-CG2 4.25Å
95T91.9Very high95Very high8 Ų849.9 Ų49.95%0.04926%0.26CS..  trans-128.3116.1159.9-179.20000109.9D93 V97 N122 V123D93-T95 PolarHBondContact O-N 2.9Å; D93-T95 VanDerWaalsContact O-N 3.14Å; T95-V97 PolarHBondContact O-N 2.82Å; T95-V97 PolarHBondContact OG1-N 2.96Å; T95-V97 PolarHBondContact OG1-O 3.28Å; T95-N122 HydrophobicContact CG2-CB 3.86Å; T95-N122 PolarHBondContact O-ND2 3.25Å; T95-V123 HydrophobicContact CG2-CG1 4.39Å
96T86.3Confident95Very high117 Ų11751.3 Ų51.372%0.71827%0.267SS*.SBendtrans-73.9-7.2172.753.50000112.9
97V90.1Very high95.1Very high54 Ų5449.7 Ų49.733%0.32725%0.254SS..SBendtrans-116.8134.6-177.2-174.50000109.5L75 T95 L99L75-V97 HydrophobicContact CD2-CG1 3.44Å; L75-V97 VanDerWaalsContact CD2-CG1 3.44Å; L75-V97 HydrophobicContact CG-CG1 4.34Å; T95-V97 PolarHBondContact O-N 2.82Å; T95-V97 PolarHBondContact OG1-N 2.96Å; T95-V97 PolarHBondContact OG1-O 3.28Å; V97-L99 PolarHBondContact O-N 2.91Å
98K94.1Very high95.1Very high134 Ų13450.1 Ų50.158%0.58326%0.257SS*.  trans-67.4127.4170.9-176.3-178.7178.9-176.80109.7L75 P100 N122L75-K98 VanDerWaalsContact CD2-O 3.28Å; L75-K98 WeakPolarHBondContact CD2-O 3.48Å; K98-P100 WeakPolarHBondContact O-CD 3.48Å; K98-N122 WeakPolarHBondContact CA-O 3.45Å
99L95.7Very high95.2Very high0 Ų050.6 Ų50.60%026%0.257CS..  trans-106.686.9178.4-58.1174.6000108.9L73 V97 N101 L102 N122 V123L73-L99 HydrophobicContact CB-CD1 4.2Å; L73-L99 HydrophobicContact CB-CD2 4.21Å; L73-L99 HydrophobicContact CD1-CD1 4.02Å; V97-L99 PolarHBondContact O-N 2.91Å; L99-N101 PolarHBondContact O-N 2.76Å; L99-L102 HydrophobicContact CB-CB 3.89Å; L99-L102 HydrophobicContact CD1-CD2 4.14Å; L99-L102 PolarHBondContact O-N 3.06Å; L99-N122 PolarHBondContact N-O 3.32Å; L99-V123 HydrophobicContact CB-CG1 4.31Å; L99-V123 HydrophobicContact CD1-CG1 4.36Å
100P94.8Very high95.3Very high60 Ų6044.1 Ų44.139%0.3923%0.233SC..THydrogen-bonded Turntrans-71.4-16.5-170.530.7-37.4000113.7K98 Q125K98-P100 WeakPolarHBondContact O-CD 3.48Å; P100-Q125 WeakPolarHBondContact O-CG 3.3Å
101N96.3Very high95.4Very high72 Ų7246.5 Ų46.539%0.38525%0.246SC..THydrogen-bonded Turntrans-101-3.8-178-58.7-61.7000113.1L75 T77 T78 L99 H103L75-N101 PolarHBondContact O-ND2 3.38Å; T77-N101 CarbonylContact O-C 3.52Å; T78-N101 VanDerWaalsContact CA-O 3.31Å; T78-N101 WeakPolarHBondContact CA-O 3.32Å; T78-N101 HydrophobicContact CG2-CB 4.21Å; T78-N101 WeakPolarHBondContact CG2-O 3.32Å; L99-N101 PolarHBondContact O-N 2.76Å; N101-H103 PolarHBondContact O-CE1 3.25Å; N101-H103 PolarHBondContact O-N 3.43Å; N101-H103 PolarHBondContact O-ND1 3.39Å
102L98.1Very high95.6Very high0 Ų042.2 Ų42.20%023%0.227CC..  trans-74.7110.5-173.9-169.175.9000110.3T77 L80 L99 L105 V123 Q125 L126T77-L102 HydrophobicContact CG2-CD1 3.88Å; T77-L102 WeakPolarHBondContact O-CA 3.24Å; T77-L102 PolarHBondContact O-N 3.11Å; L80-L102 HydrophobicContact CB-CD1 3.63Å; L80-L102 HydrophobicContact CB-CD2 4.5Å; L99-L102 HydrophobicContact CB-CB 3.89Å; L99-L102 HydrophobicContact CD1-CD2 4.14Å; L99-L102 PolarHBondContact O-N 3.06Å; L102-L105 HydrophobicContact CD2-CB 4.43Å; L102-V123 HydrophobicContact CD2-CB 4.21Å; L102-V123 HydrophobicContact CD2-CG1 3.66Å; L102-Q125 CarbonylContact O-C 3.54Å; L102-L126 HydrophobicContact CD2-CD2 3.92Å; L102-L126 HydrophobicContact CG-CD2 3.84Å; L102-L126 PolarHBondContact O-N 3.47Å
103H98.4Very high95.9Very high56 Ų5647.8 Ų47.826%0.25924%0.241SC..  trans-103.3-33.2-179.5-67.9100.4000112.3T78 N101 Q125 L126 R127 Y128T78-H103 PolarHBondContact O-N 3.18Å; N101-H103 PolarHBondContact O-CE1 3.25Å; N101-H103 PolarHBondContact O-N 3.43Å; N101-H103 PolarHBondContact O-ND1 3.39Å; H103-Q125 PolarHBondContact CD2-O 3.4Å; H103-Q125 VanDerWaalsContact CD2-O 3.28Å; H103-L126 CarbonylContact O-C 3.48Å; H103-L126 WeakPolarHBondContact O-CA 3.15Å; H103-L126 WeakPolarHBondContact O-CD2 3.34Å; H103-R127 PolarHBondContact CD2-NE 2.04Å; H103-R127 PolarHBondContact O-N 2.92Å; H103-Y128 PolarHBondContact O-N 2.87Å
104N98.7Very high96.2Very high56 Ų5648.7 Ų48.730%0.29924%0.241SC..EExtended strand (participates in β ladder)trans-122.6126.4-177.9-59.3-4.2000110.4T78 V79 L80 Y128T78-N104 PolarHBondContact O-N 3.29Å; V79-N104 WeakPolarHBondContact CA-O 3.44Å; V79-N104 HydrophobicContact CB-CB 4.41Å; V79-N104 HydrophobicContact CG1-CB 4.13Å; V79-N104 HydrophobicContact CG2-CB 4.15Å; L80-N104 PolarHBondContact N-O 3.38Å; N104-Y128 WeakPolarHBondContact CA-O 3.44Å
105L98.7Very high96.3Very high0 Ų048 Ų480%024%0.24CC..EExtended strand (participates in β ladder)trans-125.5115.1173.5175.257.3000109.6L80 L82 W94 L102 L107 F120 L126 Y128 L129 D130L80-L105 HydrophobicContact CB-CD1 4.14Å; L80-L105 HydrophobicContact CD2-CD1 4.03Å; L80-L105 HydrophobicContact CG-CD1 4.06Å; L80-L105 WeakPolarHBondContact O-CA 3.45Å; L82-L105 HydrophobicContact CD1-CD1 4.24Å; W94-L105 HydrophobicContact CH2-CD1 4.37Å; W94-L105 HydrophobicContact CH2-CD2 4.06Å; W94-L105 HydrophobicContact CZ2-CD2 3.95Å; L102-L105 HydrophobicContact CD2-CB 4.43Å; L105-L107 HydrophobicContact CD1-CD1 4.17Å; L105-L107 HydrophobicContact CD1-CG 4.1Å; L105-L107 HydrophobicContact CD2-CD1 3.91Å; L105-L107 HydrophobicContact CG-CD1 3.91Å; L105-L107 HydrophobicContact CG-CG 4.19Å; L105-F120 HydrophobicContact CD2-CE1 4.46Å; L105-L126 HydrophobicContact CB-CD1 4.04Å; L105-L126 HydrophobicContact CB-CD2 3.64Å; L105-L126 HydrophobicContact CD2-CD1 4.06Å; L105-Y128 PolarHBondContact N-O 3.44Å; L105-L129 HydrophobicContact CB-CD1 4.09Å; L105-L129 HydrophobicContact CD2-CD1 3.98Å; L105-L129 HydrophobicContact CG-CD1 4Å; L105-D130 PolarHBondContact O-N 3.21Å
106L98.8Very high96.5Very high41 Ų4148.5 Ų48.522%0.21524%0.243CC..EExtended strand (participates in β ladder)trans-105.5115.1179-43.7-178.3000109.7L80 D81 L82 S83 Y128 D130L80-L106 PolarHBondContact O-N 3.03Å; D81-L106 HydrophobicContact CB-CB 4.38Å; D81-L106 HydrophobicContact CB-CD1 4.1Å; D81-L106 HydrophobicContact CB-CG 4.47Å; L82-L106 CarbonylContact C-O 3.51Å; L82-L106 WeakPolarHBondContact CA-O 3.01Å; L82-L106 PolarHBondContact N-O 3.04Å; S83-L106 PolarHBondContact N-O 3.12Å; L106-Y128 HydrophobicContact CD2-CD1 3.78Å; L106-Y128 HydrophobicContact CD2-CE1 3.51Å; L106-D130 HydrophobicContact CD2-CB 3.97Å
107L98.6Very high96.7Very high0 Ų046.3 Ų46.30%023%0.232CC..  trans-125.314.9179.6-78.6164.5000111.6L82 I87 L90 L105 N110 L112 D130 L131 N134L82-L107 HydrophobicContact CB-CD2 3.79Å; L82-L107 HydrophobicContact CD1-CD2 3.92Å; I87-L107 HydrophobicContact CD1-CD2 4.29Å; L90-L107 HydrophobicContact CD1-CD1 4.23Å; L90-L107 HydrophobicContact CD2-CD1 4.01Å; L105-L107 HydrophobicContact CD1-CD1 4.17Å; L105-L107 HydrophobicContact CD1-CG 4.1Å; L105-L107 HydrophobicContact CD2-CD1 3.91Å; L105-L107 HydrophobicContact CG-CD1 3.91Å; L105-L107 HydrophobicContact CG-CG 4.19Å; L107-N110 WeakPolarHBondContact O-CB 3.42Å; L107-N110 PolarHBondContact O-ND2 2.89Å; L107-L112 HydrophobicContact CB-CD1 4.08Å; L107-L112 HydrophobicContact CD1-CD1 4.42Å; L107-D130 CarbonylContact C-O 3.37Å; L107-D130 WeakPolarHBondContact CA-O 3.29Å; L107-D130 WeakPolarHBondContact CB-O 3.24Å; L107-D130 PolarHBondContact N-O 3.36Å; L107-L131 HydrophobicContact CB-CD2 3.98Å; L107-L131 HydrophobicContact CD1-CD2 3.95Å; L107-N134 PolarHBondContact O-ND2 2.84Å
108S98.6Very high96.8Very high10 Ų1049 Ų497%0.0724%0.242CC..  trans-68.3158.6-177.445.60000114S83 Y84 N110 D130 S132S83-S108 CarbonylContact C-O 2.95Å; S83-S108 WeakPolarHBondContact CA-O 3.36Å; Y84-S108 PolarHBondContact N-O 3.02Å; S108-N110 VanDerWaalsContact C-N 3.31Å; S108-N110 PolarHBondContact O-N 3.02Å; S108-N110 PolarHBondContact O-ND2 2.85Å; S108-D130 VanDerWaalsContact CB-CG 3.49Å; S108-D130 WeakPolarHBondContact CB-OD2 3.08Å; S108-D130 PolarHBondContact N-O 3.43Å; S108-D130 PolarHBondContact OG-OD2 2.76Å; S108-S132 WeakPolarHBondContact CA-O 3.25Å; S108-S132 WeakPolarHBondContact CB-O 3.14Å; S108-S132 VanDerWaalsContact CB-OG 3.29Å; S108-S132 WeakPolarHBondContact CB-OG 3.41Å
109H98.6Very high96.9Very high73 Ų7342.7 Ų42.734%0.33821%0.214SC..SBendtrans55.644.9-176.9-66.1-90.4000112.8Y84 N85 S132 S133Y84-H109 VanDerWaalsContact CA-O 3.27Å; Y84-H109 WeakPolarHBondContact CA-O 3.39Å; Y84-H109 HydrophobicContact CD1-CB 3.51Å; Y84-H109 AromaticContact CD1-CG 3.77Å; Y84-H109 HydrophobicContact CD2-CB 4.46Å; Y84-H109 HydrophobicContact CE1-CB 3.72Å; Y84-H109 AromaticContact CE1-CD2 3.66Å; Y84-H109 AromaticContact CE1-CG 3.4Å; Y84-H109 VanDerWaalsContact CE1-CG 3.4Å; Y84-H109 AromaticContact CE1-ND1 3.71Å; Y84-H109 HydrophobicContact CG-CB 3.9Å; Y84-H109 AromaticContact CZ-CD2 3.56Å; Y84-H109 AromaticContact CZ-CG 3.82Å; N85-H109 PolarHBondContact N-O 3.31Å; H109-S132 PolarHBondContact N-O 3.36Å; H109-S133 VanDerWaalsContact CA-O 3.26Å; H109-S133 WeakPolarHBondContact CA-O 3.47Å; H109-S133 VanDerWaalsContact CE1-CB 3.48Å; H109-S133 WeakPolarHBondContact CE1-CB 3.48Å; H109-S133 PolarHBondContact CE1-OG 2.94Å; H109-S133 PolarHBondContact N-O 3.39Å; H109-S133 PolarHBondContact NE2-OG 3.06Å
110N98.6Very high96.9Very high7 Ų742.7 Ų42.74%0.03721%0.214CC..SBendtrans-114.4-173.4174.7-89.1-87000111.4L82 N85 I87 L107 S108 L112 N134L82-N110 PolarHBondContact O-ND2 2.76Å; N85-N110 WeakPolarHBondContact CA-OD1 3.47Å; N85-N110 WeakPolarHBondContact CB-OD1 3.48Å; N85-N110 WeakPolarHBondContact O-CA 3.49Å; N85-N110 PolarHBondContact O-OD1 3.44Å; I87-N110 WeakPolarHBondContact CB-OD1 3.23Å; I87-N110 WeakPolarHBondContact CG1-OD1 3.35Å; I87-N110 PolarHBondContact N-OD1 3.34Å; I87-N110 VanDerWaalsContact N-OD1 3.07Å; L107-N110 WeakPolarHBondContact O-CB 3.42Å; L107-N110 PolarHBondContact O-ND2 2.89Å; S108-N110 VanDerWaalsContact C-N 3.31Å; S108-N110 PolarHBondContact O-N 3.02Å; S108-N110 PolarHBondContact O-ND2 2.85Å; N110-L112 HydrophobicContact CB-CG 4.2Å; N110-N134 WeakPolarHBondContact CA-OD1 3.48Å; N110-N134 WeakPolarHBondContact CB-OD1 3.28Å; N110-N134 PolarHBondContact O-OD1 3.15Å
111N98.1Very high97Very high49 Ų4942.2 Ų42.226%0.26221%0.21SC..  trans-98.711.5177-74.3-55.8000113.7A86 I87 D88 R113 K135A86-N111 WeakPolarHBondContact CA-ND2 3.35Å; A86-N111 WeakPolarHBondContact O-CB 3.35Å; A86-N111 PolarHBondContact O-ND2 3.09Å; I87-N111 CarbonylContact O-C 3.01Å; I87-N111 VanDerWaalsContact O-CA 3.26Å; I87-N111 WeakPolarHBondContact O-CA 3.43Å; I87-N111 WeakPolarHBondContact O-CB 3.26Å; I87-N111 PolarHBondContact O-N 2.88Å; D88-N111 HydrophobicContact CB-CB 4.34Å; N111-R113 VanDerWaalsContact O-CG 3.3Å; N111-R113 WeakPolarHBondContact O-CG 3.4Å; N111-R113 PolarHBondContact O-N 3.32Å; N111-K135 PolarHBondContact OD1-NZ 3.13Å
112L98.3Very high96.9Very high0 Ų040.9 Ų40.90%020%0.203CC..  trans-57119.1-165.5-64.4173.3000111.8I87 D88 L90 L107 N110 L115 L131 N134 K135 L136I87-L112 HydrophobicContact CB-CD2 4.31Å; I87-L112 HydrophobicContact CG2-CD2 3.79Å; I87-L112 PolarHBondContact O-N 3.32Å; D88-L112 WeakPolarHBondContact O-CA 3.19Å; L90-L112 HydrophobicContact CB-CD2 4.39Å; L107-L112 HydrophobicContact CB-CD1 4.08Å; L107-L112 HydrophobicContact CD1-CD1 4.42Å; N110-L112 HydrophobicContact CB-CG 4.2Å; L112-L115 HydrophobicContact CD1-CD2 4.46Å; L112-L131 HydrophobicContact CD1-CD2 3.7Å; L112-N134 HydrophobicContact CB-CB 4.28Å; L112-N134 WeakPolarHBondContact CB-OD1 3.41Å; L112-N134 WeakPolarHBondContact CG-OD1 3.48Å; L112-N134 PolarHBondContact N-OD1 3.34Å; L112-K135 CarbonylContact O-C 3.58Å; L112-K135 VanDerWaalsContact O-CA 3.22Å; L112-K135 WeakPolarHBondContact O-CA 3.45Å; L112-K135 PolarHBondContact O-N 3.12Å; L112-L136 HydrophobicContact CB-CD2 4.17Å; L112-L136 PolarHBondContact O-N 2.85Å; L112-L136 VanDerWaalsContact O-N 3.08Å
113R97.4Very high96.9Very high164 Ų16440.9 Ų40.962%0.61920%0.203SC*.  trans-110-17.4174.8-51.1-172.3-164.2-163.95.5113.3D88 N111 K135D88-R113 PolarHBondContact O-N 3.45Å; N111-R113 VanDerWaalsContact O-CG 3.3Å; N111-R113 WeakPolarHBondContact O-CG 3.4Å; N111-R113 PolarHBondContact O-N 3.32Å; R113-K135 HydrophobicContact CG-CB 3.93Å
114F95.8Very high96.8Very high98 Ų9843 Ų4343%0.4321%0.212SC..EExtended strand (participates in β ladder)trans-144.3134.6-172.2173.3-96.9000110.5R89 L90R89-F114 HydrophobicContact CB-CD1 4.46Å; R89-F114 HydrophobicContact CG-CB 4.24Å; R89-F114 HydrophobicContact CG-CD1 4.46Å; L90-F114 PolarHBondContact N-O 3.3Å
115L96.6Very high96.7Very high10 Ų1043.9 Ų43.95%0.05221%0.214CC..EExtended strand (participates in β ladder)trans-117.9132.7168.6-53.4175.5000106.9L90 L112 F120 L131 L136 V143 F144L90-L115 HydrophobicContact CB-CD2 3.68Å; L90-L115 HydrophobicContact CD2-CD2 4.15Å; L112-L115 HydrophobicContact CD1-CD2 4.46Å; L115-F120 HydrophobicContact CD1-CE2 4.49Å; L115-L131 HydrophobicContact CD1-CD1 3.94Å; L115-L131 HydrophobicContact CD2-CD2 4.29Å; L115-L136 HydrophobicContact CD1-CD1 4.09Å; L115-L136 HydrophobicContact CD1-CD2 4.29Å; L115-L136 HydrophobicContact CD2-CD2 4.25Å; L115-L136 HydrophobicContact CG-CD2 3.9Å; L115-V143 HydrophobicContact CB-CG2 4.01Å; L115-V143 HydrophobicContact CD1-CG2 4.39Å; L115-F144 HydrophobicContact CD1-CE1 4.35Å
116S94.9Very high96.7Very high17 Ų1743.9 Ų43.912%0.11921%0.214CC..  trans-73.2141.4167.8176.10000109.8L90 E118 A119L90-S116 PolarHBondContact O-N 3.41Å; S116-E118 PolarHBondContact O-N 3.32Å; S116-E118 VanDerWaalsContact O-N 3.17Å; S116-E118 PolarHBondContact OG-N 2.78Å; S116-A119 WeakPolarHBondContact O-CB 3.45Å; S116-A119 PolarHBondContact O-N 2.84Å
117S90.8Very high96.7Very high71 Ų7147.4 Ų47.450%0.49722%0.224SC..THydrogen-bonded Turntrans-53.7-30.7170.347.30000112.9
118E93.6Very high96.7Very high112 Ų11251.1 Ų51.152%0.52324%0.239SC..THydrogen-bonded Turntrans-89-3.6177.5-70.1179.8168.900113.9S116 F120 T121S116-E118 PolarHBondContact O-N 3.32Å; S116-E118 VanDerWaalsContact O-N 3.17Å; S116-E118 PolarHBondContact OG-N 2.78Å; E118-F120 PolarHBondContact O-N 3.42Å; E118-F120 VanDerWaalsContact O-N 3.07Å; E118-T121 HydrophobicContact CB-CG2 4.01Å; E118-T121 HydrophobicContact CG-CG2 4.35Å; E118-T121 WeakPolarHBondContact O-CB 3.24Å; E118-T121 WeakPolarHBondContact O-CG2 3.49Å; E118-T121 PolarHBondContact O-N 3.25Å; E118-T121 PolarHBondContact O-OG1 3.22Å
119A95.6Very high96.7Very high1 Ų150.7 Ų50.71%0.00824%0.236CC..THydrogen-bonded Turntrans-56.4-31.7-173.200000113.6L90 W94 S116L90-A119 HydrophobicContact CD2-CB 4Å; L90-A119 HydrophobicContact CG-CB 4.08Å; W94-A119 PolarHBondContact NE1-O 3.25Å; S116-A119 WeakPolarHBondContact O-CB 3.45Å; S116-A119 PolarHBondContact O-N 2.84Å
120F96.6Very high96.7Very high0 Ų047.8 Ų47.80%022%0.223CC..THydrogen-bonded Turntrans-95.42.2-177.2-57.9-69.4000114.4L90 L105 L115 E118 N122 V123 L126 L129 L131 V143 F144 P146 L147L90-F120 HydrophobicContact CD2-CE1 3.9Å; L90-F120 HydrophobicContact CD2-CZ 3.86Å; L105-F120 HydrophobicContact CD2-CE1 4.46Å; L115-F120 HydrophobicContact CD1-CE2 4.49Å; E118-F120 PolarHBondContact O-N 3.42Å; E118-F120 VanDerWaalsContact O-N 3.07Å; F120-N122 VanDerWaalsContact C-N 3.26Å; F120-N122 PolarHBondContact O-N 3.33Å; F120-V123 HydrophobicContact CB-CG2 4.14Å; F120-V123 HydrophobicContact CD1-CG2 3.98Å; F120-V123 WeakPolarHBondContact O-CG2 3.29Å; F120-V123 PolarHBondContact O-N 3.07Å; F120-V123 VanDerWaalsContact O-N 3.13Å; F120-L126 HydrophobicContact CD1-CD1 4.4Å; F120-L129 HydrophobicContact CD1-CD2 4.32Å; F120-L129 HydrophobicContact CE1-CD1 4.13Å; F120-L129 HydrophobicContact CE1-CD2 3.66Å; F120-L129 HydrophobicContact CZ-CD2 3.78Å; F120-L131 HydrophobicContact CZ-CD1 4.41Å; F120-V143 VanDerWaalsContact CD2-O 3.32Å; F120-V143 WeakPolarHBondContact CD2-O 2.97Å; F120-F144 HydrophobicContact CD2-CD1 4.25Å; F120-F144 AromaticContact CE2-CD1 3.89Å; F120-F144 HydrophobicContact CE2-CD1 3.89Å; F120-F144 AromaticContact CE2-CE1 3.96Å; F120-F144 HydrophobicContact CE2-CE1 3.96Å; F120-F144 HydrophobicContact CZ-CE1 4.36Å; F120-P146 HydrophobicContact CB-CB 4.24Å; F120-P146 HydrophobicContact CB-CG 4.24Å; F120-L147 HydrophobicContact CB-CD1 4.18Å; F120-L147 HydrophobicContact CB-CD2 3.72Å; F120-L147 HydrophobicContact CB-CG 3.86Å; F120-L147 HydrophobicContact CD1-CD1 4.06Å; F120-L147 HydrophobicContact CD1-CD2 4.32Å; F120-L147 HydrophobicContact CD2-CD1 4.18Å; F120-L147 HydrophobicContact CG-CD1 3.85Å; F120-L147 HydrophobicContact CG-CD2 4.17Å; F120-L147 HydrophobicContact CG-CG 4.11Å
121T95.3Very high96.7Very high49 Ų4947.5 Ų47.530%0.30122%0.221SC..THydrogen-bonded Turntrans-58.8-32.9-176.853.40000114.1E118 K124 P146E118-T121 HydrophobicContact CB-CG2 4.01Å; E118-T121 HydrophobicContact CG-CG2 4.35Å; E118-T121 WeakPolarHBondContact O-CB 3.24Å; E118-T121 WeakPolarHBondContact O-CG2 3.49Å; E118-T121 PolarHBondContact O-N 3.25Å; E118-T121 PolarHBondContact O-OG1 3.22Å; T121-K124 WeakPolarHBondContact O-CE 3.27Å; T121-K124 VanDerWaalsContact O-CG 3.27Å; T121-K124 WeakPolarHBondContact O-CG 3.29Å; T121-P146 HydrophobicContact CG2-CG 4.24Å
122N95.8Very high96.7Very high44 Ų4445.1 Ų45.124%0.23521%0.209CC..THydrogen-bonded Turntrans-90-2.5-179-83.7-25.7000114.7T95 K98 L99 F120T95-N122 HydrophobicContact CG2-CB 3.86Å; T95-N122 PolarHBondContact O-ND2 3.25Å; K98-N122 WeakPolarHBondContact CA-O 3.45Å; L99-N122 PolarHBondContact N-O 3.32Å; F120-N122 VanDerWaalsContact C-N 3.26Å; F120-N122 PolarHBondContact O-N 3.33Å
123V96.7Very high96.8Very high0 Ų045.9 Ų45.90%021%0.214CC..  trans-130.738.2-172.3-65.80000113W94 T95 L99 L102 F120 Q125 L126W94-V123 HydrophobicContact CH2-CG1 4.09Å; W94-V123 HydrophobicContact CZ2-CG1 3.83Å; W94-V123 HydrophobicContact CZ2-CG2 4.25Å; T95-V123 HydrophobicContact CG2-CG1 4.39Å; L99-V123 HydrophobicContact CB-CG1 4.31Å; L99-V123 HydrophobicContact CD1-CG1 4.36Å; L102-V123 HydrophobicContact CD2-CB 4.21Å; L102-V123 HydrophobicContact CD2-CG1 3.66Å; F120-V123 HydrophobicContact CB-CG2 4.14Å; F120-V123 HydrophobicContact CD1-CG2 3.98Å; F120-V123 WeakPolarHBondContact O-CG2 3.29Å; F120-V123 PolarHBondContact O-N 3.07Å; F120-V123 VanDerWaalsContact O-N 3.13Å; V123-Q125 PolarHBondContact O-N 3.21Å; V123-L126 HydrophobicContact CB-CD1 3.99Å; V123-L126 HydrophobicContact CB-CG 4.14Å; V123-L126 HydrophobicContact CG2-CD1 3.67Å; V123-L126 HydrophobicContact CG2-CG 4.35Å; V123-L126 WeakPolarHBondContact O-CG 3.29Å; V123-L126 PolarHBondContact O-N 3.37Å
124K96.1Very high96.8Very high102 Ų10238.5 Ų38.544%0.44319%0.186SC..THydrogen-bonded Turntrans-65.86.3-173.5-47.9-161.4-179.7-163.10116.8T121 P146 H149T121-K124 WeakPolarHBondContact O-CE 3.27Å; T121-K124 VanDerWaalsContact O-CG 3.27Å; T121-K124 WeakPolarHBondContact O-CG 3.29Å; K124-P146 HydrophobicContact CD-CB 4.29Å; K124-P146 HydrophobicContact CG-CB 4.15Å; K124-H149 PolarHBondContact O-ND1 3.21Å
125Q97.3Very high96.9Very high73 Ų7337.2 Ų37.234%0.34118%0.181SC..THydrogen-bonded Turntrans-112.86.9178.8-65.8-63.7-41.400112.5P100 L102 H103 V123 R127 H149P100-Q125 WeakPolarHBondContact O-CG 3.3Å; L102-Q125 CarbonylContact O-C 3.54Å; H103-Q125 PolarHBondContact CD2-O 3.4Å; H103-Q125 VanDerWaalsContact CD2-O 3.28Å; V123-Q125 PolarHBondContact O-N 3.21Å; Q125-R127 PolarHBondContact O-N 3.13Å; Q125-H149 PolarHBondContact NE2-CE1 2.99Å; Q125-H149 VanDerWaalsContact NE2-CE1 3.28Å; Q125-H149 PolarHBondContact NE2-ND1 3.42Å
126L98.3Very high97Very high0 Ų036.9 Ų36.90%018%0.179CC..  trans-58.4131.8171.5-72.7173.9000110.9L102 H103 L105 F120 V123 L147 H149 L150L102-L126 HydrophobicContact CD2-CD2 3.92Å; L102-L126 HydrophobicContact CG-CD2 3.84Å; L102-L126 PolarHBondContact O-N 3.47Å; H103-L126 CarbonylContact O-C 3.48Å; H103-L126 WeakPolarHBondContact O-CA 3.15Å; H103-L126 WeakPolarHBondContact O-CD2 3.34Å; L105-L126 HydrophobicContact CB-CD1 4.04Å; L105-L126 HydrophobicContact CB-CD2 3.64Å; L105-L126 HydrophobicContact CD2-CD1 4.06Å; F120-L126 HydrophobicContact CD1-CD1 4.4Å; V123-L126 HydrophobicContact CB-CD1 3.99Å; V123-L126 HydrophobicContact CB-CG 4.14Å; V123-L126 HydrophobicContact CG2-CD1 3.67Å; V123-L126 HydrophobicContact CG2-CG 4.35Å; V123-L126 WeakPolarHBondContact O-CG 3.29Å; V123-L126 PolarHBondContact O-N 3.37Å; L126-L147 HydrophobicContact CB-CD2 4.14Å; L126-L147 HydrophobicContact CD1-CD2 4.07Å; L126-H149 CarbonylContact O-C 3.52Å; L126-H149 VanDerWaalsContact O-C 3.27Å; L126-L150 HydrophobicContact CB-CD1 3.83Å; L126-L150 WeakPolarHBondContact O-CA 3.49Å; L126-L150 PolarHBondContact O-N 3.36Å
127R98.4Very high97.2Very high116 Ų11641 Ų4144%0.43820%0.196SC..SBendtrans-105.9-30.3169.2-66.5172.1-176.1-112.68.9111.2H103 Q125 E151 V152H103-R127 PolarHBondContact CD2-NE 2.04Å; H103-R127 PolarHBondContact O-N 2.92Å; Q125-R127 PolarHBondContact O-N 3.13Å; R127-E151 HydrophobicContact CB-CG 4.32Å; R127-E151 VanDerWaalsContact CD-OE1 3.26Å; R127-E151 WeakPolarHBondContact CD-OE1 3.36Å; R127-E151 HydrophobicContact CG-CG 4.5Å; R127-E151 WeakPolarHBondContact CG-OE1 3.39Å; R127-E151 IonicContact CZ-OE1 3.59Å; R127-E151 IonicContact NE-OE1 3.77Å; R127-E151 IonicContact NH1-OE1 2.7Å; R127-E151 PolarHBondContact NH1-OE1 2.88Å; R127-E151 PolarHBondContact O-N 3.18Å; R127-V152 PolarHBondContact O-N 2.96Å
128Y98.8Very high97.4Very high78 Ų7842 Ų4231%0.30619%0.193SC..EExtended strand (participates in β ladder)trans-129.3122.1-177.8-169.7-82.2000110.6H103 N104 L105 L106 D130 V152 L154H103-Y128 PolarHBondContact O-N 2.87Å; N104-Y128 WeakPolarHBondContact CA-O 3.44Å; L105-Y128 PolarHBondContact N-O 3.44Å; L106-Y128 HydrophobicContact CD2-CD1 3.78Å; L106-Y128 HydrophobicContact CD2-CE1 3.51Å; Y128-D130 HydrophobicContact CE1-CB 3.96Å; Y128-V152 HydrophobicContact CD2-CB 3.76Å; Y128-V152 HydrophobicContact CD2-CG1 3.93Å; Y128-V152 HydrophobicContact CD2-CG2 4.25Å; Y128-V152 HydrophobicContact CE2-CB 4.22Å; Y128-V152 HydrophobicContact CE2-CG1 3.87Å; Y128-L154 HydrophobicContact CE1-CD1 4.26Å; Y128-L154 VanDerWaalsContact OH-CD1 3.28Å; Y128-L154 WeakPolarHBondContact OH-CD1 3.42Å
129L98.8Very high97.5Very high0 Ų036.9 Ų36.90%017%0.17CC..EExtended strand (participates in β ladder)trans-128.5117.5177.1175.757.3000109.8L105 F120 L131 F144 L147 L150 V152 L153 L154L105-L129 HydrophobicContact CB-CD1 4.09Å; L105-L129 HydrophobicContact CD2-CD1 3.98Å; L105-L129 HydrophobicContact CG-CD1 4Å; F120-L129 HydrophobicContact CD1-CD2 4.32Å; F120-L129 HydrophobicContact CE1-CD1 4.13Å; F120-L129 HydrophobicContact CE1-CD2 3.66Å; F120-L129 HydrophobicContact CZ-CD2 3.78Å; L129-L131 HydrophobicContact CD1-CD1 4.32Å; L129-L131 HydrophobicContact CD1-CG 4.05Å; L129-L131 HydrophobicContact CD2-CD1 3.91Å; L129-L131 HydrophobicContact CD2-CG 4.5Å; L129-L131 HydrophobicContact CG-CD1 4Å; L129-L131 HydrophobicContact CG-CG 4.07Å; L129-F144 HydrophobicContact CD2-CD1 4.4Å; L129-F144 HydrophobicContact CD2-CE1 4.24Å; L129-L147 HydrophobicContact CD2-CD1 3.69Å; L129-L150 HydrophobicContact CB-CD1 3.77Å; L129-L150 HydrophobicContact CB-CD2 4.14Å; L129-V152 PolarHBondContact N-O 2.79Å; L129-V152 VanDerWaalsContact N-O 3.09Å; L129-L153 HydrophobicContact CB-CD1 4.13Å; L129-L153 HydrophobicContact CD2-CD1 3.98Å; L129-L153 HydrophobicContact CG-CD1 3.98Å; L129-L154 PolarHBondContact O-N 3.48Å
130D98.9Very high97.4Very high13 Ų1339.9 Ų39.97%0.0719%0.185CC..EExtended strand (participates in β ladder)trans-108.1108.4176.9-177.415.4000111.6L105 L106 L107 S108 Y128 S132 L154L105-D130 PolarHBondContact O-N 3.21Å; L106-D130 HydrophobicContact CD2-CB 3.97Å; L107-D130 CarbonylContact C-O 3.37Å; L107-D130 WeakPolarHBondContact CA-O 3.29Å; L107-D130 WeakPolarHBondContact CB-O 3.24Å; L107-D130 PolarHBondContact N-O 3.36Å; S108-D130 VanDerWaalsContact CB-CG 3.49Å; S108-D130 WeakPolarHBondContact CB-OD2 3.08Å; S108-D130 PolarHBondContact N-O 3.43Å; S108-D130 PolarHBondContact OG-OD2 2.76Å; Y128-D130 HydrophobicContact CE1-CB 3.96Å; D130-S132 WeakPolarHBondContact OD1-CB 3.05Å; D130-S132 PolarHBondContact OD1-N 3.13Å; D130-S132 PolarHBondContact OD1-OG 3.19Å; D130-L154 HydrophobicContact CB-CB 4.37Å; D130-L154 HydrophobicContact CB-CD1 3.99Å; D130-L154 HydrophobicContact CB-CG 4.49Å; D130-L154 WeakPolarHBondContact OD1-CB 3.35Å
131L98.8Very high97.3Very high0 Ų045.6 Ų45.60%021%0.212CC..  trans-115.617.6175.1-69.6166.1000111L107 L112 L115 F120 L129 N134 L136 F144 L153 L154 L155 N158L107-L131 HydrophobicContact CB-CD2 3.98Å; L107-L131 HydrophobicContact CD1-CD2 3.95Å; L112-L131 HydrophobicContact CD1-CD2 3.7Å; L115-L131 HydrophobicContact CD1-CD1 3.94Å; L115-L131 HydrophobicContact CD2-CD2 4.29Å; F120-L131 HydrophobicContact CZ-CD1 4.41Å; L129-L131 HydrophobicContact CD1-CD1 4.32Å; L129-L131 HydrophobicContact CD1-CG 4.05Å; L129-L131 HydrophobicContact CD2-CD1 3.91Å; L129-L131 HydrophobicContact CD2-CG 4.5Å; L129-L131 HydrophobicContact CG-CD1 4Å; L129-L131 HydrophobicContact CG-CG 4.07Å; L131-N134 WeakPolarHBondContact O-CB 3.49Å; L131-N134 PolarHBondContact O-ND2 3.07Å; L131-L136 HydrophobicContact CB-CD1 4.32Å; L131-F144 HydrophobicContact CD1-CE1 4.02Å; L131-F144 HydrophobicContact CD1-CZ 4.35Å; L131-L153 HydrophobicContact CD1-CD1 4.48Å; L131-L154 CarbonylContact C-O 3.2Å; L131-L154 WeakPolarHBondContact CA-O 3.26Å; L131-L154 WeakPolarHBondContact CB-O 3.2Å; L131-L154 PolarHBondContact N-O 3.36Å; L131-L155 HydrophobicContact CB-CD2 3.72Å; L131-L155 HydrophobicContact CD1-CD2 3.98Å; L131-N158 PolarHBondContact O-ND2 3.31Å
132S98.8Very high97.2Very high0 Ų047 Ų470%021%0.214CC..  trans-68.4164-178.4660000113.2S108 H109 D130 N134 L154 Y156S108-S132 WeakPolarHBondContact CA-O 3.25Å; S108-S132 WeakPolarHBondContact CB-O 3.14Å; S108-S132 VanDerWaalsContact CB-OG 3.29Å; S108-S132 WeakPolarHBondContact CB-OG 3.41Å; H109-S132 PolarHBondContact N-O 3.36Å; D130-S132 WeakPolarHBondContact OD1-CB 3.05Å; D130-S132 PolarHBondContact OD1-N 3.13Å; D130-S132 PolarHBondContact OD1-OG 3.19Å; S132-N134 VanDerWaalsContact C-N 3.31Å; S132-N134 PolarHBondContact O-N 3.32Å; S132-N134 PolarHBondContact O-ND2 2.87Å; S132-L154 PolarHBondContact N-O 3.04Å; S132-Y156 CarbonylContact C-O 3.49Å; S132-Y156 WeakPolarHBondContact CA-O 3.19Å; S132-Y156 VanDerWaalsContact CB-CE1 3.44Å; S132-Y156 WeakPolarHBondContact CB-O 3.07Å; S132-Y156 PolarHBondContact OG-OH 2.88Å
133S98.7Very high97.1Very high15 Ų1545.1 Ų45.111%0.10520%0.204CC..SBendtrans53.845.6177.7-63.80000113.2H109 Y156 N157H109-S133 VanDerWaalsContact CA-O 3.26Å; H109-S133 WeakPolarHBondContact CA-O 3.47Å; H109-S133 VanDerWaalsContact CE1-CB 3.48Å; H109-S133 WeakPolarHBondContact CE1-CB 3.48Å; H109-S133 PolarHBondContact CE1-OG 2.94Å; H109-S133 PolarHBondContact N-O 3.39Å; H109-S133 PolarHBondContact NE2-OG 3.06Å; S133-Y156 PolarHBondContact N-O 3.45Å; S133-N157 CarbonylContact C-O 3.46Å; S133-N157 WeakPolarHBondContact CA-O 3.35Å; S133-N157 PolarHBondContact N-O 3.45Å; S133-N157 PolarHBondContact OG-ND2 2.99Å
134N98.8Very high97.1Very high9 Ų945.1 Ų45.15%0.04820%0.204CC..SBendtrans-124.7-163.8-177.3-91.8-78.5000110.9L107 N110 L112 L131 S132 N157 N158L107-N134 PolarHBondContact O-ND2 2.84Å; N110-N134 WeakPolarHBondContact CA-OD1 3.48Å; N110-N134 WeakPolarHBondContact CB-OD1 3.28Å; N110-N134 PolarHBondContact O-OD1 3.15Å; L112-N134 HydrophobicContact CB-CB 4.28Å; L112-N134 WeakPolarHBondContact CB-OD1 3.41Å; L112-N134 WeakPolarHBondContact CG-OD1 3.48Å; L112-N134 PolarHBondContact N-OD1 3.34Å; L131-N134 WeakPolarHBondContact O-CB 3.49Å; L131-N134 PolarHBondContact O-ND2 3.07Å; S132-N134 VanDerWaalsContact C-N 3.31Å; S132-N134 PolarHBondContact O-N 3.32Å; S132-N134 PolarHBondContact O-ND2 2.87Å; N134-N157 PolarHBondContact N-O 3.27Å; N134-N158 WeakPolarHBondContact CA-OD1 3.34Å; N134-N158 WeakPolarHBondContact CB-OD1 3.43Å; N134-N158 PolarHBondContact O-OD1 2.79Å
135K98.4Very high97Very high72 Ų7245 Ų4531%0.31321%0.205SC..  trans-126.727-172.5-64.3173.4-175168.40112.2N111 L112 R113 N158N111-K135 PolarHBondContact OD1-NZ 3.13Å; L112-K135 CarbonylContact O-C 3.58Å; L112-K135 VanDerWaalsContact O-CA 3.22Å; L112-K135 WeakPolarHBondContact O-CA 3.45Å; L112-K135 PolarHBondContact O-N 3.12Å; R113-K135 HydrophobicContact CG-CB 3.93Å; K135-N158 PolarHBondContact N-OD1 3.31Å
136L98.4Very high96.9Very high3 Ų342.1 Ų42.12%0.01619%0.193CC..  trans-68.7132.2177.7-58.3175.2000109.9L112 L115 L131 L155 N158 Q159 I160L112-L136 HydrophobicContact CB-CD2 4.17Å; L112-L136 PolarHBondContact O-N 2.85Å; L112-L136 VanDerWaalsContact O-N 3.08Å; L115-L136 HydrophobicContact CD1-CD1 4.09Å; L115-L136 HydrophobicContact CD1-CD2 4.29Å; L115-L136 HydrophobicContact CD2-CD2 4.25Å; L115-L136 HydrophobicContact CG-CD2 3.9Å; L131-L136 HydrophobicContact CB-CD1 4.32Å; L136-L155 HydrophobicContact CD1-CD2 3.79Å; L136-N158 WeakPolarHBondContact CB-OD1 3.04Å; L136-N158 WeakPolarHBondContact CG-OD1 3.49Å; L136-N158 PolarHBondContact N-OD1 2.69Å; L136-Q159 CarbonylContact O-C 3.27Å; L136-Q159 WeakPolarHBondContact O-CA 3.23Å; L136-Q159 WeakPolarHBondContact O-CB 3.38Å; L136-Q159 PolarHBondContact O-N 2.66Å; L136-I160 HydrophobicContact CB-CG1 4.2Å; L136-I160 PolarHBondContact O-N 2.84Å
137Q97.8Very high96.7Very high103 Ų10342.1 Ų42.148%0.48119%0.193SC..  trans-109.1-21.6-173-66.2-173.7-14.700114.2Q159 I160 S161Q137-Q159 HydrophobicContact CG-CB 3.89Å; Q137-I160 WeakPolarHBondContact O-CA 3.33Å; Q137-S161 PolarHBondContact O-N 2.83Å; Q137-S161 PolarHBondContact O-OG 2.96Å
138Q96Very high96.6Very high92 Ų9239.3 Ų39.343%0.4319%0.188SC..EExtended strand (participates in β ladder)trans-149.1161.917665.4-164.943.800110.3D140 Q162Q138-D140 PolarHBondContact NE2-OD1 3.3Å; Q138-Q162 CarbonylContact C-O 3.52Å; Q138-Q162 VanDerWaalsContact CA-O 3.23Å; Q138-Q162 WeakPolarHBondContact CA-O 3.2Å; Q138-Q162 HydrophobicContact CB-CB 4.12Å
139L95.8Very high96.4Very high5 Ų539.2 Ų39.23%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-114.4112.1167-57.8175.6000107.8F144 L155 I160 Q162 I163 D164 A167 F168 L179L139-F144 HydrophobicContact CD1-CE2 4.43Å; L139-F144 HydrophobicContact CD2-CE2 4.14Å; L139-F144 HydrophobicContact CD2-CZ 4.15Å; L139-L155 HydrophobicContact CD1-CD1 3.82Å; L139-L155 HydrophobicContact CD2-CD1 4.09Å; L139-L155 HydrophobicContact CD2-CD2 4.3Å; L139-I160 HydrophobicContact CD1-CD1 4.34Å; L139-I160 HydrophobicContact CD2-CD1 4.05Å; L139-I160 HydrophobicContact CG-CD1 4.2Å; L139-I160 HydrophobicContact CG-CG2 4.21Å; L139-Q162 PolarHBondContact N-O 2.93Å; L139-I163 HydrophobicContact CD1-CD1 4.2Å; L139-I163 HydrophobicContact CD1-CG1 4Å; L139-I163 HydrophobicContact CD1-CG2 4.24Å; L139-I163 HydrophobicContact CG-CG1 4.37Å; L139-D164 PolarHBondContact O-N 2.94Å; L139-A167 HydrophobicContact CB-CB 4.29Å; L139-F168 HydrophobicContact CD1-CE1 4.37Å; L139-F168 HydrophobicContact CD1-CZ 3.73Å; L139-L179 HydrophobicContact CD1-CD2 4.28Å
140D93.9Very high96.4Very high64 Ų6439.2 Ų39.234%0.34219%0.191SC..  trans-75.9165.1-176.3-61.9-47.4000112.3Q138 V143 A167Q138-D140 PolarHBondContact NE2-OD1 3.3Å; D140-V143 WeakPolarHBondContact O-CG1 3.01Å; D140-V143 PolarHBondContact O-N 3.11Å; D140-A167 WeakPolarHBondContact O-CB 3.2Å
141E92.9Very high96.3Very high119 Ų11941.1 Ų41.156%0.55620%0.199SC*.THydrogen-bonded Turntrans-56.5139.417562175.7-178.500111.4V143E141-V143 PolarHBondContact O-N 3.16Å
142F93.1Very high96.3Very high80 Ų8042.1 Ų42.135%0.35121%0.205SC..THydrogen-bonded Turntrans56.410.6175.5-45.6-69.1000116.4F144 E145 V169F142-F144 PolarHBondContact O-N 3.35Å; F142-E145 HydrophobicContact CB-CB 3.99Å; F142-E145 WeakPolarHBondContact O-CB 3.48Å; F142-E145 PolarHBondContact O-N 3.4Å; F142-V169 HydrophobicContact CD1-CG1 3.95Å; F142-V169 HydrophobicContact CE1-CG1 4.01Å
143V95.2Very high96.3Very high4 Ų442.1 Ų42.12%0.02421%0.205CC..THydrogen-bonded Turntrans-60.1-24.8-174.4710000114.2L115 F120 D140 E141 A167L115-V143 HydrophobicContact CB-CG2 4.01Å; L115-V143 HydrophobicContact CD1-CG2 4.39Å; F120-V143 VanDerWaalsContact CD2-O 3.32Å; F120-V143 WeakPolarHBondContact CD2-O 2.97Å; D140-V143 WeakPolarHBondContact O-CG1 3.01Å; D140-V143 PolarHBondContact O-N 3.11Å; E141-V143 PolarHBondContact O-N 3.16Å; V143-A167 HydrophobicContact CG1-CB 4.34Å
144F95.8Very high96.3Very high0 Ų042 Ų420%020%0.203CC..THydrogen-bonded Turntrans-109.811173.3-54.4-59.2000113.7L115 F120 L129 L131 L139 F142 P146 L147 L153 L155 F168 M171L115-F144 HydrophobicContact CD1-CE1 4.35Å; F120-F144 HydrophobicContact CD2-CD1 4.25Å; F120-F144 AromaticContact CE2-CD1 3.89Å; F120-F144 HydrophobicContact CE2-CD1 3.89Å; F120-F144 AromaticContact CE2-CE1 3.96Å; F120-F144 HydrophobicContact CE2-CE1 3.96Å; F120-F144 HydrophobicContact CZ-CE1 4.36Å; L129-F144 HydrophobicContact CD2-CD1 4.4Å; L129-F144 HydrophobicContact CD2-CE1 4.24Å; L131-F144 HydrophobicContact CD1-CE1 4.02Å; L131-F144 HydrophobicContact CD1-CZ 4.35Å; L139-F144 HydrophobicContact CD1-CE2 4.43Å; L139-F144 HydrophobicContact CD2-CE2 4.14Å; L139-F144 HydrophobicContact CD2-CZ 4.15Å; F142-F144 PolarHBondContact O-N 3.35Å; F144-P146 VanDerWaalsContact C-N 3.33Å; F144-P146 VanDerWaalsContact O-N 3.16Å; F144-L147 HydrophobicContact CB-CD1 4.24Å; F144-L147 HydrophobicContact CD1-CD1 3.95Å; F144-L147 VanDerWaalsContact O-CB 3.3Å; F144-L147 WeakPolarHBondContact O-CB 3.42Å; F144-L147 PolarHBondContact O-N 3.14Å; F144-L153 HydrophobicContact CD2-CD2 3.98Å; F144-L153 HydrophobicContact CE1-CD1 4.44Å; F144-L153 HydrophobicContact CE1-CD2 4.44Å; F144-L153 HydrophobicContact CE2-CD2 3.76Å; F144-L153 HydrophobicContact CG-CD2 4.43Å; F144-L153 HydrophobicContact CZ-CD1 4.42Å; F144-L153 HydrophobicContact CZ-CD2 4Å; F144-L155 HydrophobicContact CE2-CD1 4.13Å; F144-L155 HydrophobicContact CZ-CD1 4.06Å; F144-L155 HydrophobicContact CZ-CD2 4.45Å; F144-F168 HydrophobicContact CD2-CD1 4.15Å; F144-F168 HydrophobicContact CD2-CE1 4.14Å; F144-F168 HydrophobicContact CE2-CE1 4.14Å; F144-M171 HydrophobicContact CB-CE 4.12Å; F144-M171 HydrophobicContact CB-CG 4.47Å; F144-M171 HydrophobicContact CB-SD 3.53Å; F144-M171 VanDerWaalsContact CB-SD 3.53Å; F144-M171 HydrophobicContact CD2-SD 4.25Å; F144-M171 HydrophobicContact CG-SD 4.2Å
145E93.9Very high96.3Very high100 Ų10041.6 Ų41.647%0.46720%0.201SC..THydrogen-bonded Turntrans-50.7-40.5-175.8-169.9-156.7-158.400114.3F142 L147 T170F142-E145 HydrophobicContact CB-CB 3.99Å; F142-E145 WeakPolarHBondContact O-CB 3.48Å; F142-E145 PolarHBondContact O-N 3.4Å; E145-L147 PolarHBondContact O-N 3.36Å; E145-L147 VanDerWaalsContact O-N 3.13Å; E145-T170 WeakPolarHBondContact CA-OG1 3.4Å; E145-T170 HydrophobicContact CG-CG2 3.62Å; E145-T170 PolarHBondContact O-OG1 2.93Å
146P94.9Very high96.3Very high12 Ų1241.5 Ų41.58%0.07820%0.199CC..THydrogen-bonded Turntrans-67.1-11.1179.1-21.835.1000115.3F120 T121 K124 F144 V148F120-P146 HydrophobicContact CB-CB 4.24Å; F120-P146 HydrophobicContact CB-CG 4.24Å; T121-P146 HydrophobicContact CG2-CG 4.24Å; K124-P146 HydrophobicContact CD-CB 4.29Å; K124-P146 HydrophobicContact CG-CB 4.15Å; F144-P146 VanDerWaalsContact C-N 3.33Å; F144-P146 VanDerWaalsContact O-N 3.16Å; P146-V148 PolarHBondContact O-N 3.07Å
147L95.8Very high96.3Very high0 Ų044.6 Ų44.60%022%0.216CC..  trans-96.146.4-166.6-60.3-176.2000113.5F120 L126 L129 F144 E145 H149 L150F120-L147 HydrophobicContact CB-CD1 4.18Å; F120-L147 HydrophobicContact CB-CD2 3.72Å; F120-L147 HydrophobicContact CB-CG 3.86Å; F120-L147 HydrophobicContact CD1-CD1 4.06Å; F120-L147 HydrophobicContact CD1-CD2 4.32Å; F120-L147 HydrophobicContact CD2-CD1 4.18Å; F120-L147 HydrophobicContact CG-CD1 3.85Å; F120-L147 HydrophobicContact CG-CD2 4.17Å; F120-L147 HydrophobicContact CG-CG 4.11Å; L126-L147 HydrophobicContact CB-CD2 4.14Å; L126-L147 HydrophobicContact CD1-CD2 4.07Å; L129-L147 HydrophobicContact CD2-CD1 3.69Å; F144-L147 HydrophobicContact CB-CD1 4.24Å; F144-L147 HydrophobicContact CD1-CD1 3.95Å; F144-L147 VanDerWaalsContact O-CB 3.3Å; F144-L147 WeakPolarHBondContact O-CB 3.42Å; F144-L147 PolarHBondContact O-N 3.14Å; E145-L147 PolarHBondContact O-N 3.36Å; E145-L147 VanDerWaalsContact O-N 3.13Å; L147-H149 PolarHBondContact O-N 3.2Å; L147-H149 VanDerWaalsContact O-N 3.1Å; L147-L150 HydrophobicContact CB-CB 4.09Å; L147-L150 HydrophobicContact CD1-CD2 4.31Å; L147-L150 WeakPolarHBondContact O-CB 3.35Å; L147-L150 PolarHBondContact O-N 3.28Å
148V94.3Very high96.4Very high56 Ų5640.2 Ų40.234%0.33920%0.196SC..THydrogen-bonded Turntrans-57.9-26.9-177.3-172.80000113.1P146 V172 N173P146-V148 PolarHBondContact O-N 3.07Å; V148-V172 HydrophobicContact CG1-CG2 4.27Å; V148-N173 PolarHBondContact O-ND2 3.36Å
149H96.4Very high96.5Very high77 Ų7739.1 Ų39.136%0.35619%0.191SC..THydrogen-bonded Turntrans-93.54.2-179.7-54.199.9000114.2K124 Q125 L126 L147 E151K124-H149 PolarHBondContact O-ND1 3.21Å; Q125-H149 PolarHBondContact NE2-CE1 2.99Å; Q125-H149 VanDerWaalsContact NE2-CE1 3.28Å; Q125-H149 PolarHBondContact NE2-ND1 3.42Å; L126-H149 CarbonylContact O-C 3.52Å; L126-H149 VanDerWaalsContact O-C 3.27Å; L147-H149 PolarHBondContact O-N 3.2Å; L147-H149 VanDerWaalsContact O-N 3.1Å; H149-E151 PolarHBondContact O-N 3.08Å
150L97.6Very high96.6Very high0 Ų038.9 Ų38.90%019%0.189CC..  trans-72.9125-175.3-157.880.5000111.2L126 L129 L147 L153 M171 N173 L174L126-L150 HydrophobicContact CB-CD1 3.83Å; L126-L150 WeakPolarHBondContact O-CA 3.49Å; L126-L150 PolarHBondContact O-N 3.36Å; L129-L150 HydrophobicContact CB-CD1 3.77Å; L129-L150 HydrophobicContact CB-CD2 4.14Å; L147-L150 HydrophobicContact CB-CB 4.09Å; L147-L150 HydrophobicContact CD1-CD2 4.31Å; L147-L150 WeakPolarHBondContact O-CB 3.35Å; L147-L150 PolarHBondContact O-N 3.28Å; L150-L153 HydrophobicContact CD2-CB 3.8Å; L150-L153 HydrophobicContact CD2-CD1 4.26Å; L150-L153 HydrophobicContact CD2-CD2 4.46Å; L150-L153 HydrophobicContact CD2-CG 4.4Å; L150-M171 HydrophobicContact CB-CE 3.94Å; L150-M171 HydrophobicContact CD2-CE 3.39Å; L150-M171 HydrophobicContact CG-CE 4.28Å; L150-N173 CarbonylContact O-C 3.57Å; L150-L174 HydrophobicContact CD2-CD1 4.46Å; L150-L174 WeakPolarHBondContact O-CA 3.48Å; L150-L174 PolarHBondContact O-N 2.72Å; L150-L174 VanDerWaalsContact O-N 3.11Å
151E97.8Very high96.8Very high52 Ų5238.1 Ų38.124%0.24319%0.189CC..  trans-99.1-33.4-179.8-62.1171.7-146.300111.3R127 H149 Q175 K176R127-E151 HydrophobicContact CB-CG 4.32Å; R127-E151 VanDerWaalsContact CD-OE1 3.26Å; R127-E151 WeakPolarHBondContact CD-OE1 3.36Å; R127-E151 HydrophobicContact CG-CG 4.5Å; R127-E151 WeakPolarHBondContact CG-OE1 3.39Å; R127-E151 IonicContact CZ-OE1 3.59Å; R127-E151 IonicContact NE-OE1 3.77Å; R127-E151 IonicContact NH1-OE1 2.7Å; R127-E151 PolarHBondContact NH1-OE1 2.88Å; R127-E151 PolarHBondContact O-N 3.18Å; H149-E151 PolarHBondContact O-N 3.08Å; E151-Q175 WeakPolarHBondContact O-CA 3.45Å; E151-Q175 WeakPolarHBondContact O-CB 3.47Å; E151-Q175 PolarHBondContact O-N 2.96Å; E151-K176 PolarHBondContact O-N 2.85Å; E151-K176 VanDerWaalsContact O-N 3.09Å
152V98.6Very high96.9Very high22 Ų2238.5 Ų38.513%0.13319%0.191CC..EExtended strand (participates in β ladder)trans-135.4128.9-177.9-1770000111.3R127 Y128 L129 L154 K176R127-V152 PolarHBondContact O-N 2.96Å; Y128-V152 HydrophobicContact CD2-CB 3.76Å; Y128-V152 HydrophobicContact CD2-CG1 3.93Å; Y128-V152 HydrophobicContact CD2-CG2 4.25Å; Y128-V152 HydrophobicContact CE2-CB 4.22Å; Y128-V152 HydrophobicContact CE2-CG1 3.87Å; L129-V152 PolarHBondContact N-O 2.79Å; L129-V152 VanDerWaalsContact N-O 3.09Å; V152-L154 HydrophobicContact CG1-CD2 3.99Å; V152-L154 HydrophobicContact CG1-CG 4.35Å; V152-K176 HydrophobicContact CG1-CB 4.38Å; V152-K176 HydrophobicContact CG2-CB 4.3Å; V152-K176 HydrophobicContact CG2-CD 4.3Å; V152-K176 HydrophobicContact CG2-CG 4.46Å
153L98.5Very high96.9Very high0 Ų036.8 Ų36.80%019%0.185CC..EExtended strand (participates in β ladder)trans-125.3119.3173.618053.4000110.9L129 L131 F144 L150 L155 F168 M171 L174 K176 L177 Y178L129-L153 HydrophobicContact CB-CD1 4.13Å; L129-L153 HydrophobicContact CD2-CD1 3.98Å; L129-L153 HydrophobicContact CG-CD1 3.98Å; L131-L153 HydrophobicContact CD1-CD1 4.48Å; F144-L153 HydrophobicContact CD2-CD2 3.98Å; F144-L153 HydrophobicContact CE1-CD1 4.44Å; F144-L153 HydrophobicContact CE1-CD2 4.44Å; F144-L153 HydrophobicContact CE2-CD2 3.76Å; F144-L153 HydrophobicContact CG-CD2 4.43Å; F144-L153 HydrophobicContact CZ-CD1 4.42Å; F144-L153 HydrophobicContact CZ-CD2 4Å; L150-L153 HydrophobicContact CD2-CB 3.8Å; L150-L153 HydrophobicContact CD2-CD1 4.26Å; L150-L153 HydrophobicContact CD2-CD2 4.46Å; L150-L153 HydrophobicContact CD2-CG 4.4Å; L153-L155 HydrophobicContact CD1-CD1 4.23Å; L153-L155 HydrophobicContact CD1-CG 4.09Å; L153-L155 HydrophobicContact CD2-CD1 3.78Å; L153-L155 HydrophobicContact CG-CD1 3.86Å; L153-L155 HydrophobicContact CG-CG 4.07Å; L153-F168 HydrophobicContact CD2-CD1 4.45Å; L153-F168 HydrophobicContact CD2-CE1 4.06Å; L153-M171 HydrophobicContact CD2-CE 4.17Å; L153-L174 HydrophobicContact CB-CD1 3.98Å; L153-K176 PolarHBondContact N-O 2.04Å; L153-L177 HydrophobicContact CB-CD1 4.02Å; L153-L177 HydrophobicContact CD2-CD1 3.89Å; L153-L177 HydrophobicContact CG-CD1 3.95Å; L153-Y178 PolarHBondContact O-N 3.48Å
154L98.9Very high96.8Very high13 Ų1339.6 Ų39.67%0.06820%0.2CC..EExtended strand (participates in β ladder)trans-103.8117175.1-49.6179.6000110.4Y128 L129 D130 L131 S132 V152 Y156 Y178Y128-L154 HydrophobicContact CE1-CD1 4.26Å; Y128-L154 VanDerWaalsContact OH-CD1 3.28Å; Y128-L154 WeakPolarHBondContact OH-CD1 3.42Å; L129-L154 PolarHBondContact O-N 3.48Å; D130-L154 HydrophobicContact CB-CB 4.37Å; D130-L154 HydrophobicContact CB-CD1 3.99Å; D130-L154 HydrophobicContact CB-CG 4.49Å; D130-L154 WeakPolarHBondContact OD1-CB 3.35Å; L131-L154 CarbonylContact C-O 3.2Å; L131-L154 WeakPolarHBondContact CA-O 3.26Å; L131-L154 WeakPolarHBondContact CB-O 3.2Å; L131-L154 PolarHBondContact N-O 3.36Å; S132-L154 PolarHBondContact N-O 3.04Å; V152-L154 HydrophobicContact CG1-CD2 3.99Å; V152-L154 HydrophobicContact CG1-CG 4.35Å; L154-Y156 HydrophobicContact CB-CD1 4.09Å; L154-Y156 HydrophobicContact CB-CE1 3.97Å; L154-Y156 HydrophobicContact CD1-CE1 4.08Å; L154-Y156 HydrophobicContact CD2-CD1 4.44Å; L154-Y156 HydrophobicContact CD2-CE1 4.26Å; L154-Y156 HydrophobicContact CG-CE1 4.33Å; L154-Y178 HydrophobicContact CD2-CD2 3.3Å; L154-Y178 HydrophobicContact CD2-CE2 3.83Å; L154-Y178 HydrophobicContact CD2-CG 3.8Å
155L98.8Very high96.1Very high0 Ų047.1 Ų47.10%023%0.228CC..  trans-129.412.1177-74.8165.5000111.8L131 L136 L139 F144 L153 N158 I160 L177 Y178 L179 N182L131-L155 HydrophobicContact CB-CD2 3.72Å; L131-L155 HydrophobicContact CD1-CD2 3.98Å; L136-L155 HydrophobicContact CD1-CD2 3.79Å; L139-L155 HydrophobicContact CD1-CD1 3.82Å; L139-L155 HydrophobicContact CD2-CD1 4.09Å; L139-L155 HydrophobicContact CD2-CD2 4.3Å; F144-L155 HydrophobicContact CE2-CD1 4.13Å; F144-L155 HydrophobicContact CZ-CD1 4.06Å; F144-L155 HydrophobicContact CZ-CD2 4.45Å; L153-L155 HydrophobicContact CD1-CD1 4.23Å; L153-L155 HydrophobicContact CD1-CG 4.09Å; L153-L155 HydrophobicContact CD2-CD1 3.78Å; L153-L155 HydrophobicContact CG-CD1 3.86Å; L153-L155 HydrophobicContact CG-CG 4.07Å; L155-N158 PolarHBondContact O-ND2 3.36Å; L155-I160 HydrophobicContact CB-CD1 4.03Å; L155-I160 HydrophobicContact CD2-CD1 4.22Å; L155-L177 HydrophobicContact CD1-CD1 4.44Å; L155-Y178 CarbonylContact C-O 3.59Å; L155-Y178 WeakPolarHBondContact CA-O 3.46Å; L155-Y178 WeakPolarHBondContact CB-O 3.48Å; L155-Y178 PolarHBondContact N-O 3.18Å; L155-L179 HydrophobicContact CB-CD2 3.77Å; L155-L179 HydrophobicContact CD1-CD2 3.95Å; L155-N182 PolarHBondContact O-ND2 2.94Å
156Y98.8Very high95.9Very high69 Ų6944 Ų4427%0.27122%0.217SC..  trans-66.4159.6-179.669-97.3000112.2S132 S133 L154 N158 Y178 S180S132-Y156 CarbonylContact C-O 3.49Å; S132-Y156 WeakPolarHBondContact CA-O 3.19Å; S132-Y156 VanDerWaalsContact CB-CE1 3.44Å; S132-Y156 WeakPolarHBondContact CB-O 3.07Å; S132-Y156 PolarHBondContact OG-OH 2.88Å; S133-Y156 PolarHBondContact N-O 3.45Å; L154-Y156 HydrophobicContact CB-CD1 4.09Å; L154-Y156 HydrophobicContact CB-CE1 3.97Å; L154-Y156 HydrophobicContact CD1-CE1 4.08Å; L154-Y156 HydrophobicContact CD2-CD1 4.44Å; L154-Y156 HydrophobicContact CD2-CE1 4.26Å; L154-Y156 HydrophobicContact CG-CE1 4.33Å; Y156-N158 PolarHBondContact O-ND2 2.75Å; Y156-Y178 PolarHBondContact N-O 2.83Å; Y156-Y178 VanDerWaalsContact N-O 3.16Å; Y156-S180 CarbonylContact C-O 3.38Å; Y156-S180 WeakPolarHBondContact CA-O 3.39Å; Y156-S180 WeakPolarHBondContact CB-O 3.28Å; Y156-S180 WeakPolarHBondContact CB-OG 3.34Å
157N98.7Very high95.8Very high68 Ų6843.4 Ų43.436%0.36421%0.213SC..SBendtrans53.157.4-177.8-172.330.8000112S133 N134 S180 Q181S133-N157 CarbonylContact C-O 3.46Å; S133-N157 WeakPolarHBondContact CA-O 3.35Å; S133-N157 PolarHBondContact N-O 3.45Å; S133-N157 PolarHBondContact OG-ND2 2.99Å; N134-N157 PolarHBondContact N-O 3.27Å; N157-S180 PolarHBondContact N-O 2.96Å; N157-Q181 VanDerWaalsContact CA-O 3.27Å; N157-Q181 WeakPolarHBondContact CA-O 3.49Å; N157-Q181 HydrophobicContact CB-CB 4.31Å; N157-Q181 PolarHBondContact N-O 3.1Å
158N98.8Very high95.5Very high12 Ų1243.6 Ų43.66%0.06421%0.214CC..SBendtrans-129.5-167.6176.9-93.7-85.2000109.3L131 N134 K135 L136 L155 Y156 I160 Q181 N182L131-N158 PolarHBondContact O-ND2 3.31Å; N134-N158 WeakPolarHBondContact CA-OD1 3.34Å; N134-N158 WeakPolarHBondContact CB-OD1 3.43Å; N134-N158 PolarHBondContact O-OD1 2.79Å; K135-N158 PolarHBondContact N-OD1 3.31Å; L136-N158 WeakPolarHBondContact CB-OD1 3.04Å; L136-N158 WeakPolarHBondContact CG-OD1 3.49Å; L136-N158 PolarHBondContact N-OD1 2.69Å; L155-N158 PolarHBondContact O-ND2 3.36Å; Y156-N158 PolarHBondContact O-ND2 2.75Å; N158-I160 HydrophobicContact CB-CD1 4.11Å; N158-I160 HydrophobicContact CB-CG1 4.07Å; N158-Q181 PolarHBondContact N-O 3.19Å; N158-N182 VanDerWaalsContact CA-OD1 3.32Å; N158-N182 WeakPolarHBondContact CA-OD1 3.11Å; N158-N182 WeakPolarHBondContact CB-OD1 3.14Å; N158-N182 PolarHBondContact O-OD1 3.02Å
159Q98.4Very high95.1Very high68 Ų6842.8 Ų42.832%0.31821%0.209SC..  trans-110.714.9-179.9-62.2-177.911.400112.4L136 Q137 S161 N182 Q183L136-Q159 CarbonylContact O-C 3.27Å; L136-Q159 WeakPolarHBondContact O-CA 3.23Å; L136-Q159 WeakPolarHBondContact O-CB 3.38Å; L136-Q159 PolarHBondContact O-N 2.66Å; Q137-Q159 HydrophobicContact CG-CB 3.89Å; Q159-S161 PolarHBondContact O-N 3.08Å; Q159-N182 PolarHBondContact N-OD1 3.47Å; Q159-Q183 PolarHBondContact O-NE2 3.42Å; Q159-Q183 VanDerWaalsContact O-NE2 3.11Å
160I98.5Very high94.7Very high0 Ų040.8 Ų40.80%020%0.203CC..  trans-62.1118.2-168.2-59.9164.5000109.8L136 Q137 L139 L155 N158 Q162 I163 L179 N182 Q183 I184L136-I160 HydrophobicContact CB-CG1 4.2Å; L136-I160 PolarHBondContact O-N 2.84Å; Q137-I160 WeakPolarHBondContact O-CA 3.33Å; L139-I160 HydrophobicContact CD1-CD1 4.34Å; L139-I160 HydrophobicContact CD2-CD1 4.05Å; L139-I160 HydrophobicContact CG-CD1 4.2Å; L139-I160 HydrophobicContact CG-CG2 4.21Å; L155-I160 HydrophobicContact CB-CD1 4.03Å; L155-I160 HydrophobicContact CD2-CD1 4.22Å; N158-I160 HydrophobicContact CB-CD1 4.11Å; N158-I160 HydrophobicContact CB-CG1 4.07Å; I160-Q162 WeakPolarHBondContact CG2-O 3.42Å; I160-I163 HydrophobicContact CG2-CD1 4.02Å; I160-I163 HydrophobicContact CG2-CG1 3.61Å; I160-L179 HydrophobicContact CD1-CD2 4.14Å; I160-N182 HydrophobicContact CB-CB 4.34Å; I160-N182 VanDerWaalsContact CB-OD1 3.26Å; I160-N182 WeakPolarHBondContact CB-OD1 3.26Å; I160-N182 WeakPolarHBondContact CG1-OD1 3.38Å; I160-N182 PolarHBondContact N-OD1 2.97Å; I160-Q183 CarbonylContact O-C 3.36Å; I160-Q183 VanDerWaalsContact O-C 3.27Å; I160-Q183 VanDerWaalsContact O-CA 3.3Å; I160-Q183 WeakPolarHBondContact O-CA 3.48Å; I160-Q183 PolarHBondContact O-N 3.11Å; I160-I184 HydrophobicContact CG2-CG1 4.46Å; I160-I184 PolarHBondContact O-N 3.06Å
161S97.1Very high94.3Very high48 Ų4840.8 Ų40.834%0.33620%0.203SC..  trans-114.9-25.3-179.962.10000112.7Q137 Q159Q137-S161 PolarHBondContact O-N 2.83Å; Q137-S161 PolarHBondContact O-OG 2.96Å; Q159-S161 PolarHBondContact O-N 3.08Å
162Q94.1Very high93.9Very high127 Ų12741.2 Ų41.259%0.59321%0.209SC*.EExtended strand (participates in β ladder)trans-129.3141.3-178.8-63.9-177.873.800109.3Q138 L139 I160Q138-Q162 CarbonylContact C-O 3.52Å; Q138-Q162 VanDerWaalsContact CA-O 3.23Å; Q138-Q162 WeakPolarHBondContact CA-O 3.2Å; Q138-Q162 HydrophobicContact CB-CB 4.12Å; L139-Q162 PolarHBondContact N-O 2.93Å; I160-Q162 WeakPolarHBondContact CG2-O 3.42Å
163I94.3Very high93.7Very high45 Ų4543 Ų4323%0.23122%0.218CC..EExtended strand (participates in β ladder)trans-139.8117.6-179.4-64-178000105.8L139 I160 F168 L179 I184L139-I163 HydrophobicContact CD1-CD1 4.2Å; L139-I163 HydrophobicContact CD1-CG1 4Å; L139-I163 HydrophobicContact CD1-CG2 4.24Å; L139-I163 HydrophobicContact CG-CG1 4.37Å; I160-I163 HydrophobicContact CG2-CD1 4.02Å; I160-I163 HydrophobicContact CG2-CG1 3.61Å; I163-F168 HydrophobicContact CG2-CE2 3.59Å; I163-F168 HydrophobicContact CG2-CZ 4.14Å; I163-L179 HydrophobicContact CD1-CD1 3.95Å; I163-L179 HydrophobicContact CD1-CD2 4.17Å; I163-I184 HydrophobicContact CD1-CD1 3.69Å; I163-I184 HydrophobicContact CD1-CG1 4.1Å
164D91.9Very high93.5Very high62 Ų6243 Ų4333%0.33222%0.218SC..  trans-71.7147.8172.3-172.7-108.4000111.5L139 S166 A167L139-D164 PolarHBondContact O-N 2.94Å; D164-S166 PolarHBondContact O-N 3.4Å; D164-S166 WeakPolarHBondContact OD1-CA 3.17Å; D164-S166 WeakPolarHBondContact OD1-CB 3.43Å; D164-S166 PolarHBondContact OD1-N 3.4Å; D164-S166 PolarHBondContact OD1-OG 3.4Å; D164-A167 WeakPolarHBondContact O-CB 3.42Å; D164-A167 PolarHBondContact O-N 3.3Å
165R82.5Confident93.3Very high159 Ų15945.8 Ų45.860%0.623%0.23SC*.THydrogen-bonded Turntrans-64-28.2178.8-68.6176.9170.9138.9-8.2112.7E190R165-E190 HydrophobicContact CG-CG 4.25Å; R165-E190 IonicContact CZ-OE1 3.25Å; R165-E190 VanDerWaalsContact CZ-OE1 3.25Å; R165-E190 IonicContact NE-OE1 2.86Å; R165-E190 PolarHBondContact NE-OE1 3.35Å; R165-E190 IonicContact NH2-OE1 2.75Å; R165-E190 PolarHBondContact NH2-OE1 2.9Å
166S89.4Confident93.2Very high33 Ų3349.7 Ų49.723%0.23125%0.247CC..THydrogen-bonded Turntrans-87.7-9.7-174.9-31.50000112.7D164 F168 V169D164-S166 PolarHBondContact O-N 3.4Å; D164-S166 WeakPolarHBondContact OD1-CA 3.17Å; D164-S166 WeakPolarHBondContact OD1-CB 3.43Å; D164-S166 PolarHBondContact OD1-N 3.4Å; D164-S166 PolarHBondContact OD1-OG 3.4Å; S166-F168 PolarHBondContact O-N 2.89Å; S166-F168 VanDerWaalsContact O-N 3.11Å; S166-V169 WeakPolarHBondContact O-CB 3.45Å; S166-V169 WeakPolarHBondContact O-CG1 3.24Å; S166-V169 PolarHBondContact O-N 3.32Å
167A91.9Very high93.2Very high0 Ų046.4 Ų46.40%023%0.234CC..THydrogen-bonded Turntrans-56.9-28.5-176.900000113.8L139 D140 V143 D164L139-A167 HydrophobicContact CB-CB 4.29Å; D140-A167 WeakPolarHBondContact O-CB 3.2Å; V143-A167 HydrophobicContact CG1-CB 4.34Å; D164-A167 WeakPolarHBondContact O-CB 3.42Å; D164-A167 PolarHBondContact O-N 3.3Å
168F90.5Very high93.2Very high4 Ų446.2 Ų46.22%0.01823%0.229CC..THydrogen-bonded Turntrans-114.211.2-177.1-45.1-83.2000114.1L139 F144 L153 I163 S166 T170 M171 L177 L191L139-F168 HydrophobicContact CD1-CE1 4.37Å; L139-F168 HydrophobicContact CD1-CZ 3.73Å; F144-F168 HydrophobicContact CD2-CD1 4.15Å; F144-F168 HydrophobicContact CD2-CE1 4.14Å; F144-F168 HydrophobicContact CE2-CE1 4.14Å; L153-F168 HydrophobicContact CD2-CD1 4.45Å; L153-F168 HydrophobicContact CD2-CE1 4.06Å; I163-F168 HydrophobicContact CG2-CE2 3.59Å; I163-F168 HydrophobicContact CG2-CZ 4.14Å; S166-F168 PolarHBondContact O-N 2.89Å; S166-F168 VanDerWaalsContact O-N 3.11Å; F168-T170 VanDerWaalsContact C-N 3.27Å; F168-T170 PolarHBondContact O-N 3.47Å; F168-M171 HydrophobicContact CB-CG 4.42Å; F168-M171 HydrophobicContact CB-SD 3.92Å; F168-M171 HydrophobicContact CD1-SD 3.73Å; F168-M171 HydrophobicContact CG-SD 4.31Å; F168-M171 WeakPolarHBondContact O-CB 3.49Å; F168-M171 WeakPolarHBondContact O-CG 3.28Å; F168-M171 PolarHBondContact O-N 2.79Å; F168-L177 HydrophobicContact CD1-CD2 4.33Å; F168-L177 HydrophobicContact CE1-CD1 4.08Å; F168-L177 HydrophobicContact CE1-CD2 3.86Å; F168-L177 HydrophobicContact CZ-CD2 3.97Å; F168-L191 HydrophobicContact CD2-CD2 3.61Å; F168-L191 HydrophobicContact CE2-CD1 4.39Å; F168-L191 HydrophobicContact CE2-CD2 4.08Å; F168-L191 HydrophobicContact CG-CD2 4.36Å
169V85.7Confident93.1Very high40 Ų4045.6 Ų45.624%0.24223%0.226CC..THydrogen-bonded Turntrans-63.4-22.6-160.173.20000115.9F142 S166F142-V169 HydrophobicContact CD1-CG1 3.95Å; F142-V169 HydrophobicContact CE1-CG1 4.01Å; S166-V169 WeakPolarHBondContact O-CB 3.45Å; S166-V169 WeakPolarHBondContact O-CG1 3.24Å; S166-V169 PolarHBondContact O-N 3.32Å
170T87.3Confident93.2Very high35 Ų3542.8 Ų42.822%0.21521%0.214CC..THydrogen-bonded Turntrans-103.20.5178.857.50000113.9E145 F168 V172E145-T170 WeakPolarHBondContact CA-OG1 3.4Å; E145-T170 HydrophobicContact CG-CG2 3.62Å; E145-T170 PolarHBondContact O-OG1 2.93Å; F168-T170 VanDerWaalsContact C-N 3.27Å; F168-T170 PolarHBondContact O-N 3.47Å; T170-V172 PolarHBondContact O-N 3.21Å
171M90.1Very high93.2Very high0 Ų047.7 Ų47.70%024%0.236CC..  trans-84.749.4-166.3-57.7-175.474.300112.9F144 L150 L153 F168 N173 L174 L198F144-M171 HydrophobicContact CB-CE 4.12Å; F144-M171 HydrophobicContact CB-CG 4.47Å; F144-M171 HydrophobicContact CB-SD 3.53Å; F144-M171 VanDerWaalsContact CB-SD 3.53Å; F144-M171 HydrophobicContact CD2-SD 4.25Å; F144-M171 HydrophobicContact CG-SD 4.2Å; L150-M171 HydrophobicContact CB-CE 3.94Å; L150-M171 HydrophobicContact CD2-CE 3.39Å; L150-M171 HydrophobicContact CG-CE 4.28Å; L153-M171 HydrophobicContact CD2-CE 4.17Å; F168-M171 HydrophobicContact CB-CG 4.42Å; F168-M171 HydrophobicContact CB-SD 3.92Å; F168-M171 HydrophobicContact CD1-SD 3.73Å; F168-M171 HydrophobicContact CG-SD 4.31Å; F168-M171 WeakPolarHBondContact O-CB 3.49Å; F168-M171 WeakPolarHBondContact O-CG 3.28Å; F168-M171 PolarHBondContact O-N 2.79Å; M171-N173 PolarHBondContact O-N 3.4Å; M171-L174 HydrophobicContact CB-CB 4.05Å; M171-L174 HydrophobicContact CB-CD2 4.42Å; M171-L174 HydrophobicContact CE-CD1 4.21Å; M171-L174 HydrophobicContact CE-CD2 4.11Å; M171-L174 WeakPolarHBondContact O-CB 3.38Å; M171-L174 PolarHBondContact O-N 2.9Å; M171-L174 HydrophobicContact SD-CD2 4.4Å; M171-L198 HydrophobicContact CB-CD2 4.12Å; M171-L198 VanDerWaalsContact O-CD2 3.32Å; M171-L198 WeakPolarHBondContact O-CD2 3.17Å
172V89.9Confident93.2Very high61 Ų6145.8 Ų45.837%0.3722%0.223SC..THydrogen-bonded Turntrans-60-21.5-172.2-60.30000114.5V148 T170 N200V148-V172 HydrophobicContact CG1-CG2 4.27Å; T170-V172 PolarHBondContact O-N 3.21Å; V172-N200 PolarHBondContact O-ND2 2.59Å
173N93.4Very high93.4Very high60 Ų6042.5 Ų42.532%0.32121%0.207SC..THydrogen-bonded Turntrans-93.4-1.1177.1-66.6-59.4000114V148 L150 M171 Q175V148-N173 PolarHBondContact O-ND2 3.36Å; L150-N173 CarbonylContact O-C 3.57Å; M171-N173 PolarHBondContact O-N 3.4Å; N173-Q175 PolarHBondContact O-N 3.17Å
174L94.4Very high93.6Very high0 Ų040.7 Ų40.70%020%0.198CC..  trans-68.4114.5-176.3-175.566.1000110.9L150 L153 M171 L177 L198 N200 L201L150-L174 HydrophobicContact CD2-CD1 4.46Å; L150-L174 WeakPolarHBondContact O-CA 3.48Å; L150-L174 PolarHBondContact O-N 2.72Å; L150-L174 VanDerWaalsContact O-N 3.11Å; L153-L174 HydrophobicContact CB-CD1 3.98Å; M171-L174 HydrophobicContact CB-CB 4.05Å; M171-L174 HydrophobicContact CB-CD2 4.42Å; M171-L174 HydrophobicContact CE-CD1 4.21Å; M171-L174 HydrophobicContact CE-CD2 4.11Å; M171-L174 WeakPolarHBondContact O-CB 3.38Å; M171-L174 PolarHBondContact O-N 2.9Å; M171-L174 HydrophobicContact SD-CD2 4.4Å; L174-L177 HydrophobicContact CD2-CB 4.26Å; L174-L177 HydrophobicContact CD2-CD2 4.43Å; L174-L198 HydrophobicContact CB-CD2 4.46Å; L174-N200 CarbonylContact O-C 3.59Å; L174-L201 HydrophobicContact CD2-CD1 4.49Å; L174-L201 HydrophobicContact CG-CD1 4.3Å; L174-L201 VanDerWaalsContact O-CA 3.24Å; L174-L201 WeakPolarHBondContact O-CA 3.28Å; L174-L201 PolarHBondContact O-N 2.96Å
175Q94.8Very high93.8Very high71 Ų7141.5 Ų41.533%0.33221%0.208SC..  trans-95.4-37.5-179.8-621693500112E151 N173 N200 T202 L203E151-Q175 WeakPolarHBondContact O-CA 3.45Å; E151-Q175 WeakPolarHBondContact O-CB 3.47Å; E151-Q175 PolarHBondContact O-N 2.96Å; N173-Q175 PolarHBondContact O-N 3.17Å; Q175-N200 WeakPolarHBondContact CA-O 3.47Å; Q175-N200 HydrophobicContact CG-CB 4.47Å; Q175-T202 PolarHBondContact O-N 3.09Å; Q175-T202 PolarHBondContact O-OG1 3.35Å; Q175-L203 PolarHBondContact O-N 3Å
176K97.5Very high94.4Very high81 Ų8140.6 Ų40.635%0.35221%0.205SC..EExtended strand (participates in β ladder)trans-135.9120.9-171.5-50.4-177.5-176.9173.90111.7E151 V152 L153 Y178 L203E151-K176 PolarHBondContact O-N 2.85Å; E151-K176 VanDerWaalsContact O-N 3.09Å; V152-K176 HydrophobicContact CG1-CB 4.38Å; V152-K176 HydrophobicContact CG2-CB 4.3Å; V152-K176 HydrophobicContact CG2-CD 4.3Å; V152-K176 HydrophobicContact CG2-CG 4.46Å; L153-K176 PolarHBondContact N-O 2.04Å; K176-Y178 HydrophobicContact CB-CD2 4.38Å; K176-Y178 HydrophobicContact CB-CE2 3.76Å; K176-Y178 HydrophobicContact CD-CE2 4.48Å; K176-L203 WeakPolarHBondContact CA-O 3.26Å; K176-L203 HydrophobicContact CB-CB 4.18Å; K176-L203 HydrophobicContact CB-CD2 4.47Å; K176-L203 HydrophobicContact CG-CB 4.05Å
177L97.4Very high94.7Very high0 Ų039.3 Ų39.30%020%0.195CC..EExtended strand (participates in β ladder)trans-122.2115.5177.6178.455.4000110.5L153 L155 F168 L174 L179 L191 L201 L203 L204 D205L153-L177 HydrophobicContact CB-CD1 4.02Å; L153-L177 HydrophobicContact CD2-CD1 3.89Å; L153-L177 HydrophobicContact CG-CD1 3.95Å; L155-L177 HydrophobicContact CD1-CD1 4.44Å; F168-L177 HydrophobicContact CD1-CD2 4.33Å; F168-L177 HydrophobicContact CE1-CD1 4.08Å; F168-L177 HydrophobicContact CE1-CD2 3.86Å; F168-L177 HydrophobicContact CZ-CD2 3.97Å; L174-L177 HydrophobicContact CD2-CB 4.26Å; L174-L177 HydrophobicContact CD2-CD2 4.43Å; L177-L179 HydrophobicContact CD1-CD1 4.3Å; L177-L179 HydrophobicContact CD1-CG 4.14Å; L177-L179 HydrophobicContact CD2-CD1 3.93Å; L177-L179 HydrophobicContact CG-CD1 3.94Å; L177-L179 HydrophobicContact CG-CG 4.14Å; L177-L191 HydrophobicContact CD2-CD1 3.98Å; L177-L201 HydrophobicContact CB-CD1 4.13Å; L177-L203 PolarHBondContact N-O 2.88Å; L177-L204 HydrophobicContact CB-CD1 4.17Å; L177-L204 HydrophobicContact CD2-CD1 3.99Å; L177-L204 HydrophobicContact CG-CD1 4.05Å; L177-L204 WeakPolarHBondContact O-CA 3.37Å; L177-D205 PolarHBondContact O-N 3.27Å
178Y98.7Very high94.7Very high64 Ų6439.9 Ų39.925%0.25120%0.199SC..EExtended strand (participates in β ladder)trans-108.6113.5180-64.5-101.1000110.7L153 L154 L155 Y156 K176 L203 D205L153-Y178 PolarHBondContact O-N 3.48Å; L154-Y178 HydrophobicContact CD2-CD2 3.3Å; L154-Y178 HydrophobicContact CD2-CE2 3.83Å; L154-Y178 HydrophobicContact CD2-CG 3.8Å; L155-Y178 CarbonylContact C-O 3.59Å; L155-Y178 WeakPolarHBondContact CA-O 3.46Å; L155-Y178 WeakPolarHBondContact CB-O 3.48Å; L155-Y178 PolarHBondContact N-O 3.18Å; Y156-Y178 PolarHBondContact N-O 2.83Å; Y156-Y178 VanDerWaalsContact N-O 3.16Å; K176-Y178 HydrophobicContact CB-CD2 4.38Å; K176-Y178 HydrophobicContact CB-CE2 3.76Å; K176-Y178 HydrophobicContact CD-CE2 4.48Å; Y178-L203 HydrophobicContact CD1-CD2 4.01Å; Y178-L203 HydrophobicContact CD2-CD2 4.13Å; Y178-L203 HydrophobicContact CE1-CD1 4.28Å; Y178-L203 HydrophobicContact CE1-CD2 3.65Å; Y178-L203 HydrophobicContact CE2-CD2 3.81Å; Y178-L203 HydrophobicContact CG-CD2 4.25Å; Y178-D205 HydrophobicContact CD1-CB 3.91Å
179L98.4Very high94.5Very high0 Ų040.3 Ų40.30%020%0.203CC..  trans-123.913.4-177.8-74.7165.7000112.2L139 L155 I160 I163 L177 N182 I184 L204 D205 V206 N209L139-L179 HydrophobicContact CD1-CD2 4.28Å; L155-L179 HydrophobicContact CB-CD2 3.77Å; L155-L179 HydrophobicContact CD1-CD2 3.95Å; I160-L179 HydrophobicContact CD1-CD2 4.14Å; I163-L179 HydrophobicContact CD1-CD1 3.95Å; I163-L179 HydrophobicContact CD1-CD2 4.17Å; L177-L179 HydrophobicContact CD1-CD1 4.3Å; L177-L179 HydrophobicContact CD1-CG 4.14Å; L177-L179 HydrophobicContact CD2-CD1 3.93Å; L177-L179 HydrophobicContact CG-CD1 3.94Å; L177-L179 HydrophobicContact CG-CG 4.14Å; L179-N182 WeakPolarHBondContact O-CB 3.33Å; L179-N182 PolarHBondContact O-ND2 3.07Å; L179-I184 HydrophobicContact CB-CD1 3.92Å; L179-I184 HydrophobicContact CD1-CD1 4.37Å; L179-I184 HydrophobicContact CD2-CD1 4.42Å; L179-I184 HydrophobicContact CG-CD1 4.49Å; L179-L204 HydrophobicContact CD1-CD1 4.41Å; L179-D205 CarbonylContact C-O 3.6Å; L179-D205 WeakPolarHBondContact CA-O 3.36Å; L179-D205 WeakPolarHBondContact CB-O 3.29Å; L179-D205 PolarHBondContact N-O 3.06Å; L179-V206 HydrophobicContact CB-CG1 4.19Å; L179-V206 HydrophobicContact CD1-CG1 4.41Å; L179-N209 PolarHBondContact O-ND2 3.39Å
180S98.5Very high94.5Very high9 Ų939.9 Ų39.96%0.06320%0.198CC..  trans-64.1161.3179.747.60000114.1Y156 N157 N182 D205 S207Y156-S180 CarbonylContact C-O 3.38Å; Y156-S180 WeakPolarHBondContact CA-O 3.39Å; Y156-S180 WeakPolarHBondContact CB-O 3.28Å; Y156-S180 WeakPolarHBondContact CB-OG 3.34Å; N157-S180 PolarHBondContact N-O 2.96Å; S180-N182 PolarHBondContact O-N 3.1Å; S180-N182 PolarHBondContact O-ND2 3.2Å; S180-N182 VanDerWaalsContact O-ND2 3.11Å; S180-D205 WeakPolarHBondContact CB-OD1 3.24Å; S180-D205 WeakPolarHBondContact CB-OD2 3.26Å; S180-D205 PolarHBondContact N-O 2.91Å; S180-D205 PolarHBondContact OG-OD2 3.08Å; S180-S207 WeakPolarHBondContact CA-O 3.38Å; S180-S207 WeakPolarHBondContact CB-O 3.4Å; S180-S207 WeakPolarHBondContact CB-OG 3.43Å
181Q98.5Very high94.4Very high102 Ų10239.1 Ų39.148%0.47719%0.193SC..SBendtrans5551.7-179.3-58.8175.77900111.7N157 N158 S207 S208N157-Q181 VanDerWaalsContact CA-O 3.27Å; N157-Q181 WeakPolarHBondContact CA-O 3.49Å; N157-Q181 HydrophobicContact CB-CB 4.31Å; N157-Q181 PolarHBondContact N-O 3.1Å; N158-Q181 PolarHBondContact N-O 3.19Å; Q181-S207 PolarHBondContact N-O 2.7Å; Q181-S208 VanDerWaalsContact CA-O 3.29Å; Q181-S208 WeakPolarHBondContact CA-O 3.47Å; Q181-S208 PolarHBondContact N-O 2.79Å
182N98.8Very high93.9Very high9 Ų939.4 Ų39.45%0.04820%0.195CC..SBendtrans-129-168.4177.9-87.8-74.7000110.1L155 N158 Q159 I160 L179 S180 I184 N209L155-N182 PolarHBondContact O-ND2 2.94Å; N158-N182 VanDerWaalsContact CA-OD1 3.32Å; N158-N182 WeakPolarHBondContact CA-OD1 3.11Å; N158-N182 WeakPolarHBondContact CB-OD1 3.14Å; N158-N182 PolarHBondContact O-OD1 3.02Å; Q159-N182 PolarHBondContact N-OD1 3.47Å; I160-N182 HydrophobicContact CB-CB 4.34Å; I160-N182 VanDerWaalsContact CB-OD1 3.26Å; I160-N182 WeakPolarHBondContact CB-OD1 3.26Å; I160-N182 WeakPolarHBondContact CG1-OD1 3.38Å; I160-N182 PolarHBondContact N-OD1 2.97Å; L179-N182 WeakPolarHBondContact O-CB 3.33Å; L179-N182 PolarHBondContact O-ND2 3.07Å; S180-N182 PolarHBondContact O-N 3.1Å; S180-N182 PolarHBondContact O-ND2 3.2Å; S180-N182 VanDerWaalsContact O-ND2 3.11Å; N182-I184 HydrophobicContact CB-CD1 4.31Å; N182-I184 HydrophobicContact CB-CG1 4.21Å; N182-N209 WeakPolarHBondContact CA-OD1 3.33Å; N182-N209 WeakPolarHBondContact CB-OD1 3.43Å; N182-N209 PolarHBondContact O-OD1 2.6Å
183Q98.4Very high93.2Very high58 Ų5842.4 Ų42.427%0.27120%0.202SC..  trans-112.117.6-177-58.8-170.481.500113Q159 I160 S185 N209Q159-Q183 PolarHBondContact O-NE2 3.42Å; Q159-Q183 VanDerWaalsContact O-NE2 3.11Å; I160-Q183 CarbonylContact O-C 3.36Å; I160-Q183 VanDerWaalsContact O-C 3.27Å; I160-Q183 VanDerWaalsContact O-CA 3.3Å; I160-Q183 WeakPolarHBondContact O-CA 3.48Å; I160-Q183 PolarHBondContact O-N 3.11Å; Q183-S185 PolarHBondContact O-N 3.06Å; Q183-N209 PolarHBondContact N-OD1 2.95Å
184I97.9Very high91.8Very high7 Ų743.3 Ų43.34%0.03621%0.205CC..  trans-63.6124.2-175-55.7166000109.6I160 I163 L179 N182 R186 N209 R210 I211I160-I184 HydrophobicContact CG2-CG1 4.46Å; I160-I184 PolarHBondContact O-N 3.06Å; I163-I184 HydrophobicContact CD1-CD1 3.69Å; I163-I184 HydrophobicContact CD1-CG1 4.1Å; L179-I184 HydrophobicContact CB-CD1 3.92Å; L179-I184 HydrophobicContact CD1-CD1 4.37Å; L179-I184 HydrophobicContact CD2-CD1 4.42Å; L179-I184 HydrophobicContact CG-CD1 4.49Å; N182-I184 HydrophobicContact CB-CD1 4.31Å; N182-I184 HydrophobicContact CB-CG1 4.21Å; I184-R186 VanDerWaalsContact CG2-O 3.27Å; I184-R186 WeakPolarHBondContact CG2-O 3.43Å; I184-N209 HydrophobicContact CB-CB 4.46Å; I184-N209 VanDerWaalsContact CB-OD1 3.23Å; I184-N209 WeakPolarHBondContact CB-OD1 3.42Å; I184-N209 WeakPolarHBondContact CG1-OD1 3.32Å; I184-N209 PolarHBondContact N-OD1 3.3Å; I184-R210 CarbonylContact O-C 3.53Å; I184-R210 VanDerWaalsContact O-C 3.22Å; I184-R210 VanDerWaalsContact O-CA 3.26Å; I184-R210 WeakPolarHBondContact O-CA 3.41Å; I184-R210 WeakPolarHBondContact O-CB 3.49Å; I184-R210 PolarHBondContact O-N 2.77Å; I184-I211 PolarHBondContact O-N 2.97Å
185S96.4Very high90.2Very high79 Ų7948.1 Ų48.155%0.55222%0.223SC*.  trans-105.5-22.2-174.9610000114.7Q183Q183-S185 PolarHBondContact O-N 3.06Å
186R95.2Very high88.3Confident139 Ų13954.7 Ų54.753%0.52525%0.246SC..SBendtrans-113.9129.6175.2-165.7-173.174.5104.67.7109.1I184 E190I184-R186 VanDerWaalsContact CG2-O 3.27Å; I184-R186 WeakPolarHBondContact CG2-O 3.43Å; R186-E190 IonicContact CZ-OE1 3.51Å; R186-E190 IonicContact CZ-OE2 3.57Å; R186-E190 IonicContact NH1-OE1 3.15Å; R186-E190 PolarHBondContact NH1-OE1 3.25Å; R186-E190 VanDerWaalsContact NH1-OE1 3.15Å; R186-E190 IonicContact NH1-OE2 3.52Å; R186-E190 IonicContact NH2-OE1 2.95Å; R186-E190 PolarHBondContact NH2-OE1 3.47Å; R186-E190 IonicContact NH2-OE2 2.75Å; R186-E190 PolarHBondContact NH2-OE2 3.41Å
187F94.6Very high86.5Confident7 Ų756.4 Ų56.43%0.03125%0.251CS..  trans-60.3131.8175-176.2-84.7000110.7A189 I192 V206 I211 V214 P215 L219 L230F187-A189 VanDerWaalsContact C-N 3.26Å; F187-A189 HydrophobicContact CD1-CB 4.15Å; F187-A189 PolarHBondContact O-N 2.71Å; F187-I192 HydrophobicContact CE1-CD1 3.73Å; F187-I192 HydrophobicContact CE1-CG1 4.34Å; F187-I192 HydrophobicContact CZ-CD1 4.15Å; F187-V206 HydrophobicContact CD2-CG2 4.25Å; F187-V206 HydrophobicContact CE2-CG2 4.05Å; F187-I211 HydrophobicContact CB-CD1 4.49Å; F187-I211 HydrophobicContact CB-CG2 4Å; F187-I211 HydrophobicContact CD2-CD1 4.2Å; F187-V214 HydrophobicContact CB-CG1 4.47Å; F187-V214 HydrophobicContact CD2-CB 4.43Å; F187-V214 HydrophobicContact CD2-CG1 3.72Å; F187-V214 HydrophobicContact CE2-CG1 4.3Å; F187-V214 HydrophobicContact CG-CG1 4.25Å; F187-P215 VanDerWaalsContact CD1-CD 3.46Å; F187-P215 HydrophobicContact CD1-CG 3.86Å; F187-P215 HydrophobicContact CE1-CG 4.13Å; F187-L219 HydrophobicContact CE1-CD2 4.4Å; F187-L219 HydrophobicContact CZ-CD2 4.15Å; F187-L230 HydrophobicContact CE2-CD1 4.22Å; F187-L230 HydrophobicContact CZ-CD1 3.93Å; F187-L230 HydrophobicContact CZ-CD2 4.01Å; F187-L230 HydrophobicContact CZ-CG 4.45Å
188P91.3Very high85.3Confident11 Ų1157.1 Ų57.17%0.07125%0.254CS..  trans-81.967.4-17534.9-36.8000111.8E190 L191 L204 V206P188-E190 PolarHBondContact O-N 2.88Å; P188-L191 HydrophobicContact CB-CD1 3.82Å; P188-L191 HydrophobicContact CB-CG 4.15Å; P188-L191 HydrophobicContact CG-CD1 4.05Å; P188-L191 PolarHBondContact O-N 2.91Å; P188-L204 HydrophobicContact CG-CD2 4.43Å; P188-V206 HydrophobicContact CG-CG1 4.09Å
189A88.3Confident84.2Confident13 Ų1359.5 Ų59.511%0.10727%0.268CS..THydrogen-bonded Turntrans-58.9-29.4-174.700000113.8F187 L191 I192 K193 P215F187-A189 VanDerWaalsContact C-N 3.26Å; F187-A189 HydrophobicContact CD1-CB 4.15Å; F187-A189 PolarHBondContact O-N 2.71Å; A189-L191 VanDerWaalsContact C-N 3.26Å; A189-L191 PolarHBondContact O-N 3.46Å; A189-I192 WeakPolarHBondContact O-CG1 3.04Å; A189-I192 PolarHBondContact O-N 2.89Å; A189-K193 WeakPolarHBondContact O-CB 3.46Å; A189-K193 PolarHBondContact O-N 2.99Å; A189-K193 VanDerWaalsContact O-N 3.08Å; A189-P215 HydrophobicContact CB-CG 3.98Å
190E84.9Confident83.7Confident31 Ų3161.8 Ų61.815%0.14528%0.28CS..Hα-helixtrans-58-37.6179.9-6882.9167.100112.1R165 R186 P188 I192 K193 E194R165-E190 HydrophobicContact CG-CG 4.25Å; R165-E190 IonicContact CZ-OE1 3.25Å; R165-E190 VanDerWaalsContact CZ-OE1 3.25Å; R165-E190 IonicContact NE-OE1 2.86Å; R165-E190 PolarHBondContact NE-OE1 3.35Å; R165-E190 IonicContact NH2-OE1 2.75Å; R165-E190 PolarHBondContact NH2-OE1 2.9Å; R186-E190 IonicContact CZ-OE1 3.51Å; R186-E190 IonicContact CZ-OE2 3.57Å; R186-E190 IonicContact NH1-OE1 3.15Å; R186-E190 PolarHBondContact NH1-OE1 3.25Å; R186-E190 VanDerWaalsContact NH1-OE1 3.15Å; R186-E190 IonicContact NH1-OE2 3.52Å; R186-E190 IonicContact NH2-OE1 2.95Å; R186-E190 PolarHBondContact NH2-OE1 3.47Å; R186-E190 IonicContact NH2-OE2 2.75Å; R186-E190 PolarHBondContact NH2-OE2 3.41Å; P188-E190 PolarHBondContact O-N 2.88Å; E190-I192 VanDerWaalsContact C-N 3.27Å; E190-I192 PolarHBondContact O-N 3.26Å; E190-K193 PolarHBondContact O-N 2.74Å; E190-E194 PolarHBondContact O-N 2.94Å; E190-E194 VanDerWaalsContact O-N 3.1Å
191L84.4Confident83.3Confident19 Ų1961.9 Ų61.910%0.09928%0.279CS..Hα-helixtrans-66-24.5-177.2-54.5178.8000114.1F168 L177 P188 A189 L198 L204F168-L191 HydrophobicContact CD2-CD2 3.61Å; F168-L191 HydrophobicContact CE2-CD1 4.39Å; F168-L191 HydrophobicContact CE2-CD2 4.08Å; F168-L191 HydrophobicContact CG-CD2 4.36Å; L177-L191 HydrophobicContact CD2-CD1 3.98Å; P188-L191 HydrophobicContact CB-CD1 3.82Å; P188-L191 HydrophobicContact CB-CG 4.15Å; P188-L191 HydrophobicContact CG-CD1 4.05Å; P188-L191 PolarHBondContact O-N 2.91Å; A189-L191 VanDerWaalsContact C-N 3.26Å; A189-L191 PolarHBondContact O-N 3.46Å; L191-L198 HydrophobicContact CB-CD1 4.17Å; L191-L198 HydrophobicContact CD2-CD1 3.89Å; L191-L204 HydrophobicContact CB-CD2 4.42Å; L191-L204 HydrophobicContact CD1-CD1 4.31Å; L191-L204 HydrophobicContact CD1-CD2 4.33Å
192I80.3Confident83Confident7 Ų759.5 Ų59.54%0.03627%0.272CS..Hα-helixtrans-106.2-20-178.855.3158.4000112.9F187 A189 E190 L204 L219 L222 I226F187-I192 HydrophobicContact CE1-CD1 3.73Å; F187-I192 HydrophobicContact CE1-CG1 4.34Å; F187-I192 HydrophobicContact CZ-CD1 4.15Å; A189-I192 WeakPolarHBondContact O-CG1 3.04Å; A189-I192 PolarHBondContact O-N 2.89Å; E190-I192 VanDerWaalsContact C-N 3.27Å; E190-I192 PolarHBondContact O-N 3.26Å; I192-L204 HydrophobicContact CG2-CD2 4Å; I192-L219 HydrophobicContact CD1-CD2 3.5Å; I192-L222 HydrophobicContact CB-CD2 4.26Å; I192-L222 HydrophobicContact CD1-CD1 3.92Å; I192-L222 HydrophobicContact CD1-CD2 4.45Å; I192-I226 HydrophobicContact CG2-CG2 4.35Å
193K74.6Confident82.8Confident123 Ų12360.2 Ų60.254%0.53528%0.276SS..Hα-helixtrans-90.1-41.5-175.7-172.5165.4-173.5156.60111.7A189 E190 R195 D218A189-K193 WeakPolarHBondContact O-CB 3.46Å; A189-K193 PolarHBondContact O-N 2.99Å; A189-K193 VanDerWaalsContact O-N 3.08Å; E190-K193 PolarHBondContact O-N 2.74Å; K193-R195 PolarHBondContact O-N 2.93Å; K193-D218 WeakPolarHBondContact CE-OD1 3.4Å; K193-D218 IonicContact NZ-OD1 2.67Å; K193-D218 PolarHBondContact NZ-OD1 2.87Å; K193-D218 IonicContact NZ-OD2 2.98Å; K193-D218 PolarHBondContact NZ-OD2 2.93Å
194E64.7Low82.7Confident80 Ų8057.7 Ų57.737%0.37426%0.264SS..  trans-86.258.4-179.8-59.8-177179.800111E190 Y196 R197E190-E194 PolarHBondContact O-N 2.94Å; E190-E194 VanDerWaalsContact O-N 3.1Å; E194-Y196 PolarHBondContact O-N 2.89Å; E194-R197 PolarHBondContact O-N 3.44Å; E194-R197 WeakPolarHBondContact OE2-CD 3.18Å; E194-R197 IonicContact OE2-CZ 3.63Å; E194-R197 IonicContact OE2-NE 3.85Å; E194-R197 IonicContact OE2-NH1 2.67Å; E194-R197 PolarHBondContact OE2-NH1 3.06Å
195R60Low82.7Confident101 Ų10158 Ų5838%0.38127%0.266SS..G310 helixtrans-51.8-31.2-169.5-61.5-169.9-165.3163.911.6114.3K193 R197 L198 E199 T221K193-R195 PolarHBondContact O-N 2.93Å; R195-R197 PolarHBondContact O-N 2.85Å; R195-R197 VanDerWaalsContact O-N 3.09Å; R195-L198 CarbonylContact O-C 3.51Å; R195-L198 PolarHBondContact O-N 3.2Å; R195-E199 WeakPolarHBondContact O-CA 3.23Å; R195-E199 VanDerWaalsContact O-CG 3.27Å; R195-E199 WeakPolarHBondContact O-CG 3.38Å; R195-E199 PolarHBondContact O-N 3.19Å; R195-T221 PolarHBondContact NH2-O 3.14Å
196Y55.5Low82.8Confident209 Ų20954.2 Ų54.282%0.8224%0.24SC*.G310 helixtrans-60.9-9.7174.8-52.3-72.1000115.5E194E194-Y196 PolarHBondContact O-N 2.89Å
197R59.4Low83Confident117 Ų11748 Ų4844%0.44222%0.217SC..G310 helixtrans-101.2-30.8178.4-76.5175.7155.3167.1-8.6113.7E194 R195E194-R197 PolarHBondContact O-N 3.44Å; E194-R197 WeakPolarHBondContact OE2-CD 3.18Å; E194-R197 IonicContact OE2-CZ 3.63Å; E194-R197 IonicContact OE2-NE 3.85Å; E194-R197 IonicContact OE2-NH1 2.67Å; E194-R197 PolarHBondContact OE2-NH1 3.06Å; R195-R197 PolarHBondContact O-N 2.85Å; R195-R197 VanDerWaalsContact O-N 3.09Å
198L72.1Confident83.1Confident14 Ų1449.1 Ų49.17%0.07323%0.226CC..SBendtrans-134.552.7-175.3-63177.2000110.1M171 L174 L191 R195 N200 L201M171-L198 HydrophobicContact CB-CD2 4.12Å; M171-L198 VanDerWaalsContact O-CD2 3.32Å; M171-L198 WeakPolarHBondContact O-CD2 3.17Å; L174-L198 HydrophobicContact CB-CD2 4.46Å; L191-L198 HydrophobicContact CB-CD1 4.17Å; L191-L198 HydrophobicContact CD2-CD1 3.89Å; R195-L198 CarbonylContact O-C 3.51Å; R195-L198 PolarHBondContact O-N 3.2Å; L198-N200 PolarHBondContact O-N 3.27Å; L198-L201 HydrophobicContact CB-CB 4.06Å; L198-L201 HydrophobicContact CD1-CD2 4.21Å; L198-L201 WeakPolarHBondContact O-CB 3.16Å; L198-L201 PolarHBondContact O-N 3.19Å
199E76.7Confident83.5Confident115 Ų11549.1 Ų49.154%0.53723%0.226SC..THydrogen-bonded Turntrans-56.5-25.2-171.3-63.5-173.2159.700114.2R195 R312R195-E199 WeakPolarHBondContact O-CA 3.23Å; R195-E199 VanDerWaalsContact O-CG 3.27Å; R195-E199 WeakPolarHBondContact O-CG 3.38Å; R195-E199 PolarHBondContact O-N 3.19Å; E199-R312 PolarHBondContact O-NH1 2.9Å; E199-R312 VanDerWaalsContact O-NH1 3.1Å
200N87.4Confident83.9Confident47 Ų4754.8 Ų54.825%0.25124%0.244SC..THydrogen-bonded Turntrans-102.21.8-176.3-62.4-47.7000114.2V172 L174 Q175 L198 T202 R312V172-N200 PolarHBondContact O-ND2 2.59Å; L174-N200 CarbonylContact O-C 3.59Å; Q175-N200 WeakPolarHBondContact CA-O 3.47Å; Q175-N200 HydrophobicContact CG-CB 4.47Å; L198-N200 PolarHBondContact O-N 3.27Å; N200-T202 PolarHBondContact O-N 3.17Å; N200-R312 PolarHBondContact OD1-NH1 3.26Å
201L90.6Very high84.5Confident11 Ų1153.3 Ų53.36%0.05824%0.237CC..  trans-67.5107.3-179.9-172.472.3000110.6L174 L177 L198 L203 L204L174-L201 HydrophobicContact CD2-CD1 4.49Å; L174-L201 HydrophobicContact CG-CD1 4.3Å; L174-L201 VanDerWaalsContact O-CA 3.24Å; L174-L201 WeakPolarHBondContact O-CA 3.28Å; L174-L201 PolarHBondContact O-N 2.96Å; L177-L201 HydrophobicContact CB-CD1 4.13Å; L198-L201 HydrophobicContact CB-CB 4.06Å; L198-L201 HydrophobicContact CD1-CD2 4.21Å; L198-L201 WeakPolarHBondContact O-CB 3.16Å; L198-L201 PolarHBondContact O-N 3.19Å; L201-L203 WeakPolarHBondContact CD1-O 3.43Å; L201-L204 HydrophobicContact CD2-CB 4.45Å
202T90.9Very high85.1Confident53 Ų5358.5 Ų58.533%0.32526%0.259SS..  trans-105.6-20.1-179.949.60000112.8Q175 N200 W225 G229Q175-T202 PolarHBondContact O-N 3.09Å; Q175-T202 PolarHBondContact O-OG1 3.35Å; N200-T202 PolarHBondContact O-N 3.17Å; T202-W225 HydrophobicContact CG2-CE3 4.16Å; T202-W225 HydrophobicContact CG2-CZ3 4Å; T202-G229 WeakPolarHBondContact O-CA 3.33Å
203L95.8Very high85.8Confident23 Ų2365.3 Ų65.312%0.1229%0.288CS..EExtended strand (participates in β ladder)trans-134.1126.5177-172.5152.1000111.6Q175 K176 L177 Y178 L201 D205 G229 Y231Q175-L203 PolarHBondContact O-N 3Å; K176-L203 WeakPolarHBondContact CA-O 3.26Å; K176-L203 HydrophobicContact CB-CB 4.18Å; K176-L203 HydrophobicContact CB-CD2 4.47Å; K176-L203 HydrophobicContact CG-CB 4.05Å; L177-L203 PolarHBondContact N-O 2.88Å; Y178-L203 HydrophobicContact CD1-CD2 4.01Å; Y178-L203 HydrophobicContact CD2-CD2 4.13Å; Y178-L203 HydrophobicContact CE1-CD1 4.28Å; Y178-L203 HydrophobicContact CE1-CD2 3.65Å; Y178-L203 HydrophobicContact CE2-CD2 3.81Å; Y178-L203 HydrophobicContact CG-CD2 4.25Å; L201-L203 WeakPolarHBondContact CD1-O 3.43Å; L203-D205 HydrophobicContact CD2-CB 4.1Å; L203-G229 WeakPolarHBondContact CA-O 3.19Å; L203-Y231 HydrophobicContact CD1-CE2 3.9Å; L203-Y231 HydrophobicContact CG-CD2 4.29Å; L203-Y231 HydrophobicContact CG-CE2 3.95Å
204L96.3Very high86.8Confident5 Ų560.2 Ų60.23%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-130.7109.3169.6175.258.5000108.8L177 L179 P188 L191 I192 L201 V206 G229 L230 Y231L177-L204 HydrophobicContact CB-CD1 4.17Å; L177-L204 HydrophobicContact CD2-CD1 3.99Å; L177-L204 HydrophobicContact CG-CD1 4.05Å; L177-L204 WeakPolarHBondContact O-CA 3.37Å; L179-L204 HydrophobicContact CD1-CD1 4.41Å; P188-L204 HydrophobicContact CG-CD2 4.43Å; L191-L204 HydrophobicContact CB-CD2 4.42Å; L191-L204 HydrophobicContact CD1-CD1 4.31Å; L191-L204 HydrophobicContact CD1-CD2 4.33Å; I192-L204 HydrophobicContact CG2-CD2 4Å; L201-L204 HydrophobicContact CD2-CB 4.45Å; L204-V206 HydrophobicContact CD1-CG1 4.02Å; L204-V206 HydrophobicContact CG-CG1 4.26Å; L204-G229 PolarHBondContact N-O 3.41Å; L204-L230 HydrophobicContact CB-CD1 3.97Å; L204-L230 HydrophobicContact CD2-CD1 3.92Å; L204-L230 HydrophobicContact CG-CD1 3.99Å; L204-L230 WeakPolarHBondContact O-CA 3.24Å; L204-Y231 PolarHBondContact O-N 2.8Å
205D98.3Very high88.2Confident14 Ų1457.9 Ų57.98%0.07526%0.259CS..EExtended strand (participates in β ladder)trans-103.2110.9176.5170.228.8000110.8L177 Y178 L179 S180 L203 S207 Y231L177-D205 PolarHBondContact O-N 3.27Å; Y178-D205 HydrophobicContact CD1-CB 3.91Å; L179-D205 CarbonylContact C-O 3.6Å; L179-D205 WeakPolarHBondContact CA-O 3.36Å; L179-D205 WeakPolarHBondContact CB-O 3.29Å; L179-D205 PolarHBondContact N-O 3.06Å; S180-D205 WeakPolarHBondContact CB-OD1 3.24Å; S180-D205 WeakPolarHBondContact CB-OD2 3.26Å; S180-D205 PolarHBondContact N-O 2.91Å; S180-D205 PolarHBondContact OG-OD2 3.08Å; L203-D205 HydrophobicContact CD2-CB 4.1Å; D205-S207 WeakPolarHBondContact OD1-CB 3.06Å; D205-S207 PolarHBondContact OD1-N 2.92Å; D205-S207 PolarHBondContact OD1-OG 2.58Å; D205-Y231 HydrophobicContact CB-CD2 4.39Å
206V97.9Very high89.8Confident0 Ų054.2 Ų54.20%025%0.247CC..  trans-121.326.4172.2-63.20000111.1L179 F187 P188 L204 N209 I211 Y231 F232 N235L179-V206 HydrophobicContact CB-CG1 4.19Å; L179-V206 HydrophobicContact CD1-CG1 4.41Å; F187-V206 HydrophobicContact CD2-CG2 4.25Å; F187-V206 HydrophobicContact CE2-CG2 4.05Å; P188-V206 HydrophobicContact CG-CG1 4.09Å; L204-V206 HydrophobicContact CD1-CG1 4.02Å; L204-V206 HydrophobicContact CG-CG1 4.26Å; V206-N209 PolarHBondContact O-ND2 2.94Å; V206-I211 HydrophobicContact CB-CD1 3.99Å; V206-I211 HydrophobicContact CG2-CD1 3.8Å; V206-Y231 CarbonylContact C-O 3.22Å; V206-Y231 WeakPolarHBondContact CG2-O 3.45Å; V206-Y231 PolarHBondContact N-O 3.28Å; V206-F232 HydrophobicContact CG2-CB 3.91Å; V206-N235 PolarHBondContact O-ND2 3.48Å
207S98.3Very high91.6Very high7 Ų750.4 Ų50.45%0.04924%0.241CC..  trans-63.2165.4174.767.80000112.2S180 Q181 D205 N209 Y231 H233S180-S207 WeakPolarHBondContact CA-O 3.38Å; S180-S207 WeakPolarHBondContact CB-O 3.4Å; S180-S207 WeakPolarHBondContact CB-OG 3.43Å; Q181-S207 PolarHBondContact N-O 2.7Å; D205-S207 WeakPolarHBondContact OD1-CB 3.06Å; D205-S207 PolarHBondContact OD1-N 2.92Å; D205-S207 PolarHBondContact OD1-OG 2.58Å; S207-N209 VanDerWaalsContact C-N 3.28Å; S207-N209 PolarHBondContact O-N 3.02Å; S207-N209 VanDerWaalsContact O-N 3.17Å; S207-N209 PolarHBondContact O-ND2 2.95Å; S207-Y231 PolarHBondContact N-O 2.95Å; S207-H233 CarbonylContact C-O 3.57Å; S207-H233 VanDerWaalsContact CA-O 3.23Å; S207-H233 WeakPolarHBondContact CA-O 3.36Å; S207-H233 VanDerWaalsContact CB-CE1 3.42Å; S207-H233 WeakPolarHBondContact CB-CE1 3.36Å; S207-H233 VanDerWaalsContact CB-NE2 3.33Å; S207-H233 WeakPolarHBondContact CB-NE2 3.47Å; S207-H233 WeakPolarHBondContact CB-O 3.2Å
208S98.1Very high93.1Very high32 Ų3246.8 Ų46.822%0.22423%0.23CC..SBendtrans52.443.1173.6-56.60000113.9Q181 H233 N234Q181-S208 VanDerWaalsContact CA-O 3.29Å; Q181-S208 WeakPolarHBondContact CA-O 3.47Å; Q181-S208 PolarHBondContact N-O 2.79Å; S208-H233 PolarHBondContact N-O 3.28Å; S208-N234 WeakPolarHBondContact CA-O 3.41Å; S208-N234 PolarHBondContact OG-ND2 3.11Å
209N98.6Very high94.1Very high11 Ų1146.1 Ų46.16%0.05923%0.227CC..SBendtrans-120.4-160.8-176.4-96.9-84.1000111L179 N182 Q183 I184 V206 S207 I211 N235 P236L179-N209 PolarHBondContact O-ND2 3.39Å; N182-N209 WeakPolarHBondContact CA-OD1 3.33Å; N182-N209 WeakPolarHBondContact CB-OD1 3.43Å; N182-N209 PolarHBondContact O-OD1 2.6Å; Q183-N209 PolarHBondContact N-OD1 2.95Å; I184-N209 HydrophobicContact CB-CB 4.46Å; I184-N209 VanDerWaalsContact CB-OD1 3.23Å; I184-N209 WeakPolarHBondContact CB-OD1 3.42Å; I184-N209 WeakPolarHBondContact CG1-OD1 3.32Å; I184-N209 PolarHBondContact N-OD1 3.3Å; V206-N209 PolarHBondContact O-ND2 2.94Å; S207-N209 VanDerWaalsContact C-N 3.28Å; S207-N209 PolarHBondContact O-N 3.02Å; S207-N209 VanDerWaalsContact O-N 3.17Å; S207-N209 PolarHBondContact O-ND2 2.95Å; N209-I211 HydrophobicContact CB-CD1 4.47Å; N209-I211 HydrophobicContact CB-CG1 4.37Å; N209-N235 VanDerWaalsContact CA-OD1 3.26Å; N209-N235 WeakPolarHBondContact CA-OD1 3.15Å; N209-N235 WeakPolarHBondContact CB-OD1 3.32Å; N209-N235 PolarHBondContact N-OD1 3.13Å; N209-N235 PolarHBondContact O-OD1 2.61Å; N209-P236 VanDerWaalsContact O-CD 3.25Å; N209-P236 WeakPolarHBondContact O-CD 3.34Å
210R97.8Very high94.7Very high132 Ų13244.1 Ų44.150%0.49822%0.22SC..  trans-112.120.6-179-61.9-174.4177.1166.37.3113.3I184 K212 N235I184-R210 CarbonylContact O-C 3.53Å; I184-R210 VanDerWaalsContact O-C 3.22Å; I184-R210 VanDerWaalsContact O-CA 3.26Å; I184-R210 WeakPolarHBondContact O-CA 3.41Å; I184-R210 WeakPolarHBondContact O-CB 3.49Å; I184-R210 PolarHBondContact O-N 2.77Å; R210-K212 PolarHBondContact O-N 2.83Å; R210-N235 PolarHBondContact N-OD1 3.16Å
211I97.6Very high94.9Very high0 Ų046.7 Ų46.70%024%0.237CC..  trans-68.5124.9-176-59.6169.8000109.7I184 F187 V206 N209 K213 V214 N235 P236 L237I184-I211 PolarHBondContact O-N 2.97Å; F187-I211 HydrophobicContact CB-CD1 4.49Å; F187-I211 HydrophobicContact CB-CG2 4Å; F187-I211 HydrophobicContact CD2-CD1 4.2Å; V206-I211 HydrophobicContact CB-CD1 3.99Å; V206-I211 HydrophobicContact CG2-CD1 3.8Å; N209-I211 HydrophobicContact CB-CD1 4.47Å; N209-I211 HydrophobicContact CB-CG1 4.37Å; I211-K213 VanDerWaalsContact CG2-O 3.28Å; I211-K213 WeakPolarHBondContact CG2-O 3.13Å; I211-V214 HydrophobicContact CG2-CG1 4.12Å; I211-N235 HydrophobicContact CB-CB 4.27Å; I211-N235 VanDerWaalsContact CB-OD1 3.28Å; I211-N235 WeakPolarHBondContact CB-OD1 3.4Å; I211-N235 PolarHBondContact N-OD1 3.21Å; I211-P236 CarbonylContact O-C 3.56Å; I211-P236 WeakPolarHBondContact O-CD 3.38Å; I211-L237 HydrophobicContact CG2-CD2 4.22Å; I211-L237 PolarHBondContact O-N 3.34Å
212K95.9Very high94.9Very high128 Ų12846.5 Ų46.556%0.55724%0.236SC*.  trans-101.2-21.7179.4-63.5-175.9-179.3-1800114.3R210 P236 Q238R210-K212 PolarHBondContact O-N 2.83Å; K212-P236 WeakPolarHBondContact CA-O 3.27Å; K212-P236 HydrophobicContact CG-CG 4.4Å; K212-Q238 PolarHBondContact O-N 2.96Å
213K95.6Very high94.9Very high149 Ų14944.9 Ų44.965%0.64823%0.226SC*.  trans-144.3141.9-179.6-68.2-170.7175.2-1720109.8I211I211-K213 VanDerWaalsContact CG2-O 3.28Å; I211-K213 WeakPolarHBondContact CG2-O 3.13Å
214V95.6Very high94.8Very high16 Ų1643.9 Ų43.910%0.09722%0.222CC..  trans-116.5149.5171.6-65.90000109.4F187 I211 I216 L219 F232 L237 L243F187-V214 HydrophobicContact CB-CG1 4.47Å; F187-V214 HydrophobicContact CD2-CB 4.43Å; F187-V214 HydrophobicContact CD2-CG1 3.72Å; F187-V214 HydrophobicContact CE2-CG1 4.3Å; F187-V214 HydrophobicContact CG-CG1 4.25Å; I211-V214 HydrophobicContact CG2-CG1 4.12Å; V214-I216 HydrophobicContact CG2-CD1 3.79Å; V214-I216 PolarHBondContact O-N 3.03Å; V214-L219 HydrophobicContact CB-CD1 3.96Å; V214-L219 HydrophobicContact CG2-CD1 4.12Å; V214-F232 HydrophobicContact CG1-CD2 3.99Å; V214-F232 HydrophobicContact CG1-CE2 4.18Å; V214-F232 HydrophobicContact CG1-CG 4.46Å; V214-F232 HydrophobicContact CG2-CE2 4.35Å; V214-L237 HydrophobicContact CG1-CD2 3.99Å; V214-L243 HydrophobicContact CG2-CD1 3.93Å
215P94.8Very high94.5Very high32 Ų3246 Ų4621%0.20823%0.229CC..  trans-82.781.5-174.434.6-35.8000110.6F187 A189 D217 D218 L219F187-P215 VanDerWaalsContact CD1-CD 3.46Å; F187-P215 HydrophobicContact CD1-CG 3.86Å; F187-P215 HydrophobicContact CE1-CG 4.13Å; A189-P215 HydrophobicContact CB-CG 3.98Å; P215-D217 PolarHBondContact O-N 2.88Å; P215-D217 VanDerWaalsContact O-N 3.14Å; P215-D218 HydrophobicContact CB-CB 4.07Å; P215-D218 HydrophobicContact CG-CB 4.22Å; P215-D218 PolarHBondContact O-N 3.05Å; P215-D218 VanDerWaalsContact O-N 3.14Å; P215-L219 HydrophobicContact CG-CG 4.3Å; P215-L219 WeakPolarHBondContact O-CG 3.33Å; P215-L219 PolarHBondContact O-N 3.47Å
216I93.6Very high94.2Very high24 Ų2446.3 Ų46.312%0.12323%0.231CC..Hα-helixtrans-49-44.2-172.4-56.7-65.3000112.7V214 L219 N220 L243 L246V214-I216 HydrophobicContact CG2-CD1 3.79Å; V214-I216 PolarHBondContact O-N 3.03Å; I216-L219 PolarHBondContact O-N 2.97Å; I216-N220 PolarHBondContact O-N 3.01Å; I216-N220 PolarHBondContact O-ND2 2.6Å; I216-L243 HydrophobicContact CD1-CB 4.22Å; I216-L243 HydrophobicContact CD1-CD1 4.09Å; I216-L246 HydrophobicContact CD1-CB 4.43Å; I216-L246 HydrophobicContact CD1-CD2 3.71Å
217D92.1Very high94Very high128 Ų12846.9 Ų46.968%0.68423%0.233SC*.Hα-helixtrans-67.3-45.3-176.4-47.1-53000111.8P215 L219 N220 T221P215-D217 PolarHBondContact O-N 2.88Å; P215-D217 VanDerWaalsContact O-N 3.14Å; D217-L219 VanDerWaalsContact C-N 3.34Å; D217-L219 PolarHBondContact O-N 3.04Å; D217-N220 PolarHBondContact O-N 3Å; D217-T221 PolarHBondContact O-N 2.97Å
218D90.8Very high93.9Very high42 Ų4247.2 Ų47.223%0.22523%0.234CC..Hα-helixtrans-61.2-44.1173.4-72.7-32.3000110.8K193 P215 N220 T221K193-D218 WeakPolarHBondContact CE-OD1 3.4Å; K193-D218 IonicContact NZ-OD1 2.67Å; K193-D218 PolarHBondContact NZ-OD1 2.87Å; K193-D218 IonicContact NZ-OD2 2.98Å; K193-D218 PolarHBondContact NZ-OD2 2.93Å; P215-D218 HydrophobicContact CB-CB 4.07Å; P215-D218 HydrophobicContact CG-CB 4.22Å; P215-D218 PolarHBondContact O-N 3.05Å; P215-D218 VanDerWaalsContact O-N 3.14Å; D218-N220 VanDerWaalsContact C-N 3.32Å; D218-N220 PolarHBondContact O-N 3Å; D218-T221 PolarHBondContact O-N 3.14Å; D218-T221 PolarHBondContact O-OG1 3.14Å
219L93Very high93.7Very high0 Ų046 Ų460%023%0.227CC..Hα-helixtrans-63.1-34178.4-68.2-174.6000113.1F187 I192 V214 P215 I216 D217 T221 L222 K227 L230 L246 W250F187-L219 HydrophobicContact CE1-CD2 4.4Å; F187-L219 HydrophobicContact CZ-CD2 4.15Å; I192-L219 HydrophobicContact CD1-CD2 3.5Å; V214-L219 HydrophobicContact CB-CD1 3.96Å; V214-L219 HydrophobicContact CG2-CD1 4.12Å; P215-L219 HydrophobicContact CG-CG 4.3Å; P215-L219 WeakPolarHBondContact O-CG 3.33Å; P215-L219 PolarHBondContact O-N 3.47Å; I216-L219 PolarHBondContact O-N 2.97Å; D217-L219 VanDerWaalsContact C-N 3.34Å; D217-L219 PolarHBondContact O-N 3.04Å; L219-T221 VanDerWaalsContact C-N 3.35Å; L219-L222 HydrophobicContact CD2-CD1 3.75Å; L219-L222 PolarHBondContact O-N 3.09Å; L219-K227 WeakPolarHBondContact O-CE 3.42Å; L219-L230 HydrophobicContact CD2-CD2 3.48Å; L219-L230 VanDerWaalsContact CD2-CD2 3.48Å; L219-L246 HydrophobicContact CB-CD1 4.41Å; L219-L246 HydrophobicContact CB-CD2 4.15Å; L219-L246 HydrophobicContact CD1-CD2 3.83Å; L219-W250 HydrophobicContact CB-CZ2 4.28Å
220N90.8Very high93.6Very high73 Ų7345.5 Ų45.539%0.3922%0.224SC..Hα-helixtrans-63.5-39.8175.4-84.2-35.8000111.8I216 D217 D218 L222 K227 L246I216-N220 PolarHBondContact O-N 3.01Å; I216-N220 PolarHBondContact O-ND2 2.6Å; D217-N220 PolarHBondContact O-N 3Å; D218-N220 VanDerWaalsContact C-N 3.32Å; D218-N220 PolarHBondContact O-N 3Å; N220-L222 VanDerWaalsContact C-N 3.26Å; N220-L222 PolarHBondContact O-N 2.97Å; N220-K227 PolarHBondContact O-NZ 2.67Å; N220-L246 WeakPolarHBondContact OD1-CD1 3.29Å
221T90.3Very high93.6Very high100 Ų10040.8 Ų40.861%0.61321%0.207SC*.THydrogen-bonded Turntrans-74.5-5.3-179.970.10000115.4R195 D217 D218 L219R195-T221 PolarHBondContact NH2-O 3.14Å; D217-T221 PolarHBondContact O-N 2.97Å; D218-T221 PolarHBondContact O-N 3.14Å; D218-T221 PolarHBondContact O-OG1 3.14Å; L219-T221 VanDerWaalsContact C-N 3.35Å
222L90.4Very high93.6Very high7 Ų740.8 Ų40.84%0.03721%0.207CC..SBendtrans-71.2146.6174.1-61.8-178.7000111.3I192 L219 N220 I226 K227 L230I192-L222 HydrophobicContact CB-CD2 4.26Å; I192-L222 HydrophobicContact CD1-CD1 3.92Å; I192-L222 HydrophobicContact CD1-CD2 4.45Å; L219-L222 HydrophobicContact CD2-CD1 3.75Å; L219-L222 PolarHBondContact O-N 3.09Å; N220-L222 VanDerWaalsContact C-N 3.26Å; N220-L222 PolarHBondContact O-N 2.97Å; L222-I226 HydrophobicContact CB-CB 4.48Å; L222-I226 HydrophobicContact CD1-CG2 3.91Å; L222-I226 HydrophobicContact CD2-CG2 4.35Å; L222-K227 HydrophobicContact CB-CD 4.4Å; L222-K227 HydrophobicContact CB-CG 3.8Å; L222-K227 HydrophobicContact CD1-CG 4.43Å; L222-K227 WeakPolarHBondContact O-CE 3.2Å; L222-K227 PolarHBondContact O-NZ 3.27Å; L222-L230 HydrophobicContact CD1-CD2 4.17Å
223P91.3Very high93.7Very high19 Ų1935.1 Ų35.112%0.12318%0.182CC..  trans-68.8155.6166.633-36.5000110.5W225 I226 K227 D308P223-W225 HydrophobicContact CB-CG 4.48Å; P223-W225 HydrophobicContact CG-CD2 4.3Å; P223-W225 HydrophobicContact CG-CG 4.34Å; P223-W225 HydrophobicContact CG-CZ2 4.23Å; P223-W225 PolarHBondContact O-N 2.8Å; P223-W225 VanDerWaalsContact O-N 3.16Å; P223-I226 HydrophobicContact CG-CB 4.28Å; P223-I226 HydrophobicContact CG-CD1 3.91Å; P223-I226 HydrophobicContact CG-CG1 3.85Å; P223-I226 PolarHBondContact O-N 3.26Å; P223-I226 VanDerWaalsContact O-N 3.11Å; P223-K227 WeakPolarHBondContact O-CG 3.48Å; P223-K227 PolarHBondContact O-N 3.29Å; P223-K227 VanDerWaalsContact O-N 3.13Å; P223-D308 WeakPolarHBondContact CA-OD1 3.35Å; P223-D308 VanDerWaalsContact CB-OD1 3.26Å; P223-D308 WeakPolarHBondContact CB-OD1 3.3Å
224A93.1Very high93.7Very high2 Ų231.6 Ų31.62%0.01717%0.17CC..Hα-helixtrans-53.2-35.7179.600000112.5K227 N228 L255 D308A224-K227 PolarHBondContact O-N 3.08Å; A224-N228 WeakPolarHBondContact O-CB 3.42Å; A224-N228 PolarHBondContact O-N 3.28Å; A224-L255 HydrophobicContact CB-CD2 4.45Å; A224-D308 WeakPolarHBondContact CB-O 3.4Å; A224-D308 WeakPolarHBondContact CB-OD2 3.5Å; A224-D308 PolarHBondContact N-OD1 3.1Å; A224-D308 PolarHBondContact N-OD2 2.91Å
225W91.4Very high93.8Very high51 Ų5130.9 Ų30.919%0.19317%0.166CC..Hα-helixtrans-68.4-32.6178.967.1-95.5000115.1T202 P223 T309 K310 R312T202-W225 HydrophobicContact CG2-CE3 4.16Å; T202-W225 HydrophobicContact CG2-CZ3 4Å; P223-W225 HydrophobicContact CB-CG 4.48Å; P223-W225 HydrophobicContact CG-CD2 4.3Å; P223-W225 HydrophobicContact CG-CG 4.34Å; P223-W225 HydrophobicContact CG-CZ2 4.23Å; P223-W225 PolarHBondContact O-N 2.8Å; P223-W225 VanDerWaalsContact O-N 3.16Å; W225-T309 WeakPolarHBondContact CB-O 3.4Å; W225-T309 PolarHBondContact N-O 3.07Å; W225-K310 VanDerWaalsContact CA-O 3.23Å; W225-K310 WeakPolarHBondContact CA-O 3.35Å; W225-K310 VanDerWaalsContact CB-O 3.28Å; W225-K310 WeakPolarHBondContact CB-O 3.17Å; W225-R312 HydrophobicContact CD2-CB 4.24Å; W225-R312 HydrophobicContact CD2-CG 4.26Å; W225-R312 HydrophobicContact CE3-CB 4.48Å; W225-R312 HydrophobicContact CG-CB 4.41Å; W225-R312 HydrophobicContact CZ2-CG 4.3Å
226I91.7Very high93.9Very high19 Ų1931.3 Ų31.310%0.09717%0.169CC..Hα-helixtrans-74.2-42.6171.1-61.2179.4000109.4I192 L222 P223 N228 G229 L230I192-I226 HydrophobicContact CG2-CG2 4.35Å; L222-I226 HydrophobicContact CB-CB 4.48Å; L222-I226 HydrophobicContact CD1-CG2 3.91Å; L222-I226 HydrophobicContact CD2-CG2 4.35Å; P223-I226 HydrophobicContact CG-CB 4.28Å; P223-I226 HydrophobicContact CG-CD1 3.91Å; P223-I226 HydrophobicContact CG-CG1 3.85Å; P223-I226 PolarHBondContact O-N 3.26Å; P223-I226 VanDerWaalsContact O-N 3.11Å; I226-N228 VanDerWaalsContact C-N 3.27Å; I226-N228 PolarHBondContact O-N 2.84Å; I226-G229 PolarHBondContact O-N 3.2Å; I226-L230 WeakPolarHBondContact O-CB 3.4Å; I226-L230 PolarHBondContact O-N 3.38Å
227K94.2Very high94.1Very high13 Ų1330.3 Ų30.36%0.05716%0.164CC..Hα-helixtrans-56-43.7176.1-65.5167.41671510110.9L219 N220 L222 P223 A224 G229 L230 W250 L255 C257L219-K227 WeakPolarHBondContact O-CE 3.42Å; N220-K227 PolarHBondContact O-NZ 2.67Å; L222-K227 HydrophobicContact CB-CD 4.4Å; L222-K227 HydrophobicContact CB-CG 3.8Å; L222-K227 HydrophobicContact CD1-CG 4.43Å; L222-K227 WeakPolarHBondContact O-CE 3.2Å; L222-K227 PolarHBondContact O-NZ 3.27Å; P223-K227 WeakPolarHBondContact O-CG 3.48Å; P223-K227 PolarHBondContact O-N 3.29Å; P223-K227 VanDerWaalsContact O-N 3.13Å; A224-K227 PolarHBondContact O-N 3.08Å; K227-G229 VanDerWaalsContact C-N 3.28Å; K227-G229 PolarHBondContact O-N 2.91Å; K227-L230 PolarHBondContact O-N 3.4Å; K227-L230 VanDerWaalsContact O-N 3.12Å; K227-W250 HydrophobicContact CB-CD2 4.31Å; K227-W250 HydrophobicContact CB-CE3 4.4Å; K227-W250 HydrophobicContact CB-CH2 4.11Å; K227-W250 HydrophobicContact CB-CZ2 3.99Å; K227-W250 HydrophobicContact CB-CZ3 4.3Å; K227-W250 HydrophobicContact CD-CZ2 4.08Å; K227-W250 HydrophobicContact CG-CH2 4.12Å; K227-W250 HydrophobicContact CG-CZ2 3.63Å; K227-L255 HydrophobicContact CB-CD1 3.48Å; K227-L255 VanDerWaalsContact CB-CD1 3.48Å; K227-L255 HydrophobicContact CD-CD1 4.45Å; K227-C257 PolarHBondContact O-SG 2.88Å
228N95Very high94.2Very high13 Ų1328.6 Ų28.67%0.0715%0.152CC..Hα-helixtrans-59.1-32.8-177-166.252.4000114.2A224 I226 L255 N256 C257 K310A224-N228 WeakPolarHBondContact O-CB 3.42Å; A224-N228 PolarHBondContact O-N 3.28Å; I226-N228 VanDerWaalsContact C-N 3.27Å; I226-N228 PolarHBondContact O-N 2.84Å; N228-L255 HydrophobicContact CB-CD2 4.36Å; N228-L255 WeakPolarHBondContact OD1-CA 3.27Å; N228-N256 PolarHBondContact OD1-N 3.21Å; N228-N256 PolarHBondContact OD1-OD1 2.94Å; N228-C257 WeakPolarHBondContact O-CB 3.36Å; N228-C257 PolarHBondContact O-N 3.26Å; N228-K310 HydrophobicContact CB-CB 4.44Å; N228-K310 PolarHBondContact ND2-O 2.82Å
229G95.2Very high94.4Very high7 Ų727.1 Ų27.17%0.07214%0.144CC..THydrogen-bonded Turntrans-10111.9178.100000115.1T202 L203 L204 I226 K227 Y231T202-G229 WeakPolarHBondContact O-CA 3.33Å; L203-G229 WeakPolarHBondContact CA-O 3.19Å; L204-G229 PolarHBondContact N-O 3.41Å; I226-G229 PolarHBondContact O-N 3.2Å; K227-G229 VanDerWaalsContact C-N 3.28Å; K227-G229 PolarHBondContact O-N 2.91Å; G229-Y231 VanDerWaalsContact O-CD2 3.24Å; G229-Y231 WeakPolarHBondContact O-CD2 3.48Å; G229-Y231 WeakPolarHBondContact O-CE2 3.31Å
230L96.1Very high94.3Very high1 Ų129.7 Ų29.71%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-101.997.4-176.3-179.658.3000111.7F187 L204 L219 L222 I226 K227 F232 W250 C257F187-L230 HydrophobicContact CE2-CD1 4.22Å; F187-L230 HydrophobicContact CZ-CD1 3.93Å; F187-L230 HydrophobicContact CZ-CD2 4.01Å; F187-L230 HydrophobicContact CZ-CG 4.45Å; L204-L230 HydrophobicContact CB-CD1 3.97Å; L204-L230 HydrophobicContact CD2-CD1 3.92Å; L204-L230 HydrophobicContact CG-CD1 3.99Å; L204-L230 WeakPolarHBondContact O-CA 3.24Å; L219-L230 HydrophobicContact CD2-CD2 3.48Å; L219-L230 VanDerWaalsContact CD2-CD2 3.48Å; L222-L230 HydrophobicContact CD1-CD2 4.17Å; I226-L230 WeakPolarHBondContact O-CB 3.4Å; I226-L230 PolarHBondContact O-N 3.38Å; K227-L230 PolarHBondContact O-N 3.4Å; K227-L230 VanDerWaalsContact O-N 3.12Å; L230-F232 HydrophobicContact CG-CD1 4.26Å; L230-W250 HydrophobicContact CD2-CH2 4.22Å; L230-C257 WeakPolarHBondContact O-CB 3.17Å
231Y97.9Very high94.4Very high33 Ų3328.3 Ų28.313%0.12916%0.156CC..EExtended strand (participates in β ladder)trans-97.5122.1-174.8-55.7-96.4000110.8L203 L204 D205 V206 S207 G229 C257 F261L203-Y231 HydrophobicContact CD1-CE2 3.9Å; L203-Y231 HydrophobicContact CG-CD2 4.29Å; L203-Y231 HydrophobicContact CG-CE2 3.95Å; L204-Y231 PolarHBondContact O-N 2.8Å; D205-Y231 HydrophobicContact CB-CD2 4.39Å; V206-Y231 CarbonylContact C-O 3.22Å; V206-Y231 WeakPolarHBondContact CG2-O 3.45Å; V206-Y231 PolarHBondContact N-O 3.28Å; S207-Y231 PolarHBondContact N-O 2.95Å; G229-Y231 VanDerWaalsContact O-CD2 3.24Å; G229-Y231 WeakPolarHBondContact O-CD2 3.48Å; G229-Y231 WeakPolarHBondContact O-CE2 3.31Å; Y231-C257 HydrophobicContact CD1-CB 3.92Å; Y231-C257 VanDerWaalsContact CE1-CA 3.48Å; Y231-C257 HydrophobicContact CE1-CB 3.88Å; Y231-C257 HydrophobicContact CG-CB 4.32Å; Y231-F261 AromaticContact CD1-CD2 3.76Å; Y231-F261 HydrophobicContact CD1-CD2 3.76Å; Y231-F261 AromaticContact CD1-CE2 3.66Å; Y231-F261 HydrophobicContact CD1-CE2 3.66Å; Y231-F261 AromaticContact CE1-CD2 3.91Å; Y231-F261 HydrophobicContact CE1-CD2 3.91Å; Y231-F261 AromaticContact CE1-CE2 3.6Å; Y231-F261 HydrophobicContact CE1-CE2 3.6Å
232F97.3Very high94.5Very high0 Ų026.4 Ų26.40%015%0.147CC..  trans-142.117.5177.763.6-90.8000114.2V206 V214 L230 N235 L237 L243 L247 W250 F265V206-F232 HydrophobicContact CG2-CB 3.91Å; V214-F232 HydrophobicContact CG1-CD2 3.99Å; V214-F232 HydrophobicContact CG1-CE2 4.18Å; V214-F232 HydrophobicContact CG1-CG 4.46Å; V214-F232 HydrophobicContact CG2-CE2 4.35Å; L230-F232 HydrophobicContact CG-CD1 4.26Å; F232-N235 PolarHBondContact O-ND2 3.06Å; F232-L237 HydrophobicContact CD2-CD1 3.97Å; F232-L237 HydrophobicContact CD2-CD2 4.46Å; F232-L237 HydrophobicContact CE2-CD1 4.07Å; F232-L243 HydrophobicContact CE2-CD1 4.32Å; F232-L247 HydrophobicContact CE2-CD1 4.49Å; F232-L247 HydrophobicContact CZ-CD2 3.98Å; F232-W250 HydrophobicContact CE1-CH2 4.04Å; F232-W250 AromaticContact CE1-CZ3 3.77Å; F232-W250 HydrophobicContact CE1-CZ3 3.77Å; F232-W250 HydrophobicContact CZ-CZ3 4.44Å; F232-F265 HydrophobicContact CD2-CE1 4.1Å; F232-F265 AromaticContact CE2-CE1 3.89Å; F232-F265 HydrophobicContact CE2-CE1 3.89Å; F232-F265 HydrophobicContact CZ-CE1 4.17Å
233H96.9Very high94.7Very high9 Ų926.4 Ų26.44%0.04215%0.147CC..  trans-59.2168.517257.498000112.7S207 S208 N235 F261 E264 F265S207-H233 CarbonylContact C-O 3.57Å; S207-H233 VanDerWaalsContact CA-O 3.23Å; S207-H233 WeakPolarHBondContact CA-O 3.36Å; S207-H233 VanDerWaalsContact CB-CE1 3.42Å; S207-H233 WeakPolarHBondContact CB-CE1 3.36Å; S207-H233 VanDerWaalsContact CB-NE2 3.33Å; S207-H233 WeakPolarHBondContact CB-NE2 3.47Å; S207-H233 WeakPolarHBondContact CB-O 3.2Å; S208-H233 PolarHBondContact N-O 3.28Å; H233-N235 PolarHBondContact O-N 3.04Å; H233-N235 VanDerWaalsContact O-N 3.14Å; H233-N235 PolarHBondContact O-ND2 3.39Å; H233-F261 HydrophobicContact CB-CB 4.14Å; H233-F261 AromaticContact CD2-CD2 4Å; H233-F261 AromaticContact CD2-CG 3.65Å; H233-F261 AromaticContact CE1-CD1 3.26Å; H233-F261 WeakPolarHBondContact CE1-CD1 3.4Å; H233-F261 AromaticContact CE1-CE1 3.61Å; H233-F261 AromaticContact CE1-CG 3.63Å; H233-F261 AromaticContact CG-CG 3.96Å; H233-F261 AromaticContact ND1-CD1 3.69Å; H233-F261 AromaticContact ND1-CG 3.94Å; H233-F261 AromaticContact NE2-CD1 3.58Å; H233-F261 AromaticContact NE2-CD2 3.73Å; H233-F261 AromaticContact NE2-CE1 3.9Å; H233-F261 AromaticContact NE2-CG 3.49Å; H233-F261 WeakPolarHBondContact NE2-CG 3.19Å; H233-E264 HydrophobicContact CB-CB 3.79Å; H233-E264 IonicContact CE1-OE2 3.48Å; H233-E264 PolarHBondContact CE1-OE2 3.24Å; H233-E264 IonicContact CG-OE2 3.89Å; H233-E264 IonicContact ND1-OE2 2.75Å; H233-E264 PolarHBondContact ND1-OE2 2.92Å; H233-F265 HydrophobicContact CB-CD1 4.37Å; H233-F265 HydrophobicContact CB-CD2 4.09Å; H233-F265 HydrophobicContact CB-CE1 4.14Å; H233-F265 HydrophobicContact CB-CE2 3.81Å; H233-F265 HydrophobicContact CB-CG 4.35Å; H233-F265 HydrophobicContact CB-CZ 3.85Å
234N96.8Very high94.8Very high74 Ų7426.4 Ų26.440%0.39614%0.144SC..SBendtrans52.833-177.5-166.126.2000114.3S208 E264S208-N234 WeakPolarHBondContact CA-O 3.41Å; S208-N234 PolarHBondContact OG-ND2 3.11Å; N234-E264 PolarHBondContact N-O 3.4Å
235N97.8Very high94.8Very high2 Ų228.6 Ų28.61%0.01116%0.158CC..SBendtrans-106.7152.3173.4-88-84.9000110.9V206 N209 R210 I211 F232 H233 L237V206-N235 PolarHBondContact O-ND2 3.48Å; N209-N235 VanDerWaalsContact CA-OD1 3.26Å; N209-N235 WeakPolarHBondContact CA-OD1 3.15Å; N209-N235 WeakPolarHBondContact CB-OD1 3.32Å; N209-N235 PolarHBondContact N-OD1 3.13Å; N209-N235 PolarHBondContact O-OD1 2.61Å; R210-N235 PolarHBondContact N-OD1 3.16Å; I211-N235 HydrophobicContact CB-CB 4.27Å; I211-N235 VanDerWaalsContact CB-OD1 3.28Å; I211-N235 WeakPolarHBondContact CB-OD1 3.4Å; I211-N235 PolarHBondContact N-OD1 3.21Å; F232-N235 PolarHBondContact O-ND2 3.06Å; H233-N235 PolarHBondContact O-N 3.04Å; H233-N235 VanDerWaalsContact O-N 3.14Å; H233-N235 PolarHBondContact O-ND2 3.39Å; N235-L237 HydrophobicContact CB-CD2 4.03Å; N235-L237 HydrophobicContact CB-CG 3.93Å; N235-L237 PolarHBondContact O-N 2.93Å
236P96.3Very high94.9Very high41 Ų4126.3 Ų26.327%0.26615%0.149SC..  trans-77.553.1176.835-38000112.4N209 I211 K212 V268N209-P236 VanDerWaalsContact O-CD 3.25Å; N209-P236 WeakPolarHBondContact O-CD 3.34Å; I211-P236 CarbonylContact O-C 3.56Å; I211-P236 WeakPolarHBondContact O-CD 3.38Å; K212-P236 WeakPolarHBondContact CA-O 3.27Å; K212-P236 HydrophobicContact CG-CG 4.4Å; P236-V268 HydrophobicContact CB-CG2 4.37Å
237L97Very high95Very high2 Ų225.4 Ų25.41%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-61143.6-178.6-59171.9000111I211 V214 F232 N235 L243 C267 V268 I277I211-L237 HydrophobicContact CG2-CD2 4.22Å; I211-L237 PolarHBondContact O-N 3.34Å; V214-L237 HydrophobicContact CG1-CD2 3.99Å; F232-L237 HydrophobicContact CD2-CD1 3.97Å; F232-L237 HydrophobicContact CD2-CD2 4.46Å; F232-L237 HydrophobicContact CE2-CD1 4.07Å; N235-L237 HydrophobicContact CB-CD2 4.03Å; N235-L237 HydrophobicContact CB-CG 3.93Å; N235-L237 PolarHBondContact O-N 2.93Å; L237-L243 HydrophobicContact CB-CD2 3.99Å; L237-L243 HydrophobicContact CD1-CD2 4.19Å; L237-C267 HydrophobicContact CB-CB 4.33Å; L237-C267 CarbonylContact O-C 3.2Å; L237-C267 VanDerWaalsContact O-CA 3.26Å; L237-C267 WeakPolarHBondContact O-CA 3.42Å; L237-C267 WeakPolarHBondContact O-CB 3.41Å; L237-V268 PolarHBondContact O-N 3.49Å; L237-I277 HydrophobicContact CD1-CD1 4.07Å
238Q95.3Very high95Very high92 Ų9225.2 Ų25.243%0.4315%0.145SC..EExtended strand (participates in β ladder)trans-78.8130.8171.7-69.5-178.1-21.400110.5K212 T240K212-Q238 PolarHBondContact O-N 2.96Å; Q238-T240 PolarHBondContact O-N 3.03Å
239C93.8Very high94.9Very high11 Ų1126.7 Ų26.77%0.07415%0.152CC..PPolyproline II helixtrans-66.6124.7178-58.30000111.3C267 V268 L269 L280 M285C239-C267 WeakPolarHBondContact CA-SG 3.23Å; C239-C267 HydrophobicContact CB-CB 3.98Å; C239-C267 WeakPolarHBondContact CB-SG 3.2Å; C239-C267 WeakPolarHBondContact SG-CB 3.49Å; C239-C267 CovalentContact SG-SG 2.04Å; C239-C267 PolarHBondContact SG-SG 2.95Å; C239-V268 PolarHBondContact N-O 2.9Å; C239-V268 PolarHBondContact SG-N 3.09Å; C239-L269 HydrophobicContact CB-CG 4.39Å; C239-L280 HydrophobicContact CB-CD1 4.28Å; C239-L280 HydrophobicContact CB-CD2 4.05Å; C239-M285 HydrophobicContact CB-SD 3.85Å
240T92.7Very high94.9Very high54 Ų5426.4 Ų26.433%0.33115%0.149SC..  trans-143.2152.2169.369.40000109.9Q238 S242 L243 Y244Q238-T240 PolarHBondContact O-N 3.03Å; T240-S242 PolarHBondContact O-N 2.8Å; T240-S242 PolarHBondContact OG1-OG 3.35Å; T240-L243 PolarHBondContact O-N 3.49Å; T240-L243 WeakPolarHBondContact OG1-CB 3.32Å; T240-L243 PolarHBondContact OG1-N 3.31Å; T240-L243 VanDerWaalsContact OG1-N 3.08Å; T240-Y244 PolarHBondContact O-N 2.9Å; T240-Y244 VanDerWaalsContact O-N 3.1Å
241C91.6Very high94.8Very high45 Ų4529.8 Ų29.830%0.30416%0.163SC..Hα-helixtrans-65.2-24.8173.4-60.30000112.9Y244 T245 C287C241-Y244 PolarHBondContact O-N 2.94Å; C241-T245 WeakPolarHBondContact O-CB 3.47Å; C241-T245 PolarHBondContact O-N 2.98Å; C241-T245 PolarHBondContact O-OG1 3.49Å; C241-C287 WeakPolarHBondContact CA-SG 3.49Å; C241-C287 HydrophobicContact CB-CB 3.72Å; C241-C287 WeakPolarHBondContact CB-SG 3Å; C241-C287 VanDerWaalsContact SG-CA 3.51Å; C241-C287 WeakPolarHBondContact SG-CB 3.35Å; C241-C287 CovalentContact SG-SG 2.04Å; C241-C287 PolarHBondContact SG-SG 2.98Å
242S93.3Very high94.5Very high60 Ų6032.3 Ų32.342%0.4218%0.178SC..Hα-helixtrans-68-35.9172.952.60000113.1T240 L246T240-S242 PolarHBondContact O-N 2.8Å; T240-S242 PolarHBondContact OG1-OG 3.35Å; S242-L246 WeakPolarHBondContact O-CB 3.37Å; S242-L246 PolarHBondContact O-N 3.02Å; S242-L246 VanDerWaalsContact O-N 3.07Å
243L94Very high94.2Very high6 Ų634.1 Ų34.13%0.03119%0.185CC..Hα-helixtrans-70.8-4017317861.3000111.7V214 I216 F232 L237 T240 L247 I277V214-L243 HydrophobicContact CG2-CD1 3.93Å; I216-L243 HydrophobicContact CD1-CB 4.22Å; I216-L243 HydrophobicContact CD1-CD1 4.09Å; F232-L243 HydrophobicContact CE2-CD1 4.32Å; L237-L243 HydrophobicContact CB-CD2 3.99Å; L237-L243 HydrophobicContact CD1-CD2 4.19Å; T240-L243 PolarHBondContact O-N 3.49Å; T240-L243 WeakPolarHBondContact OG1-CB 3.32Å; T240-L243 PolarHBondContact OG1-N 3.31Å; T240-L243 VanDerWaalsContact OG1-N 3.08Å; L243-L247 HydrophobicContact CD1-CD1 3.77Å; L243-L247 HydrophobicContact CD1-CG 4.41Å; L243-L247 HydrophobicContact CG-CD1 4.16Å; L243-L247 PolarHBondContact O-N 3.06Å; L243-L247 VanDerWaalsContact O-N 3.13Å; L243-I277 HydrophobicContact CD2-CD1 3.75Å; L243-I277 HydrophobicContact CD2-CG1 4.43Å; L243-I277 HydrophobicContact CG-CD1 4.05Å
244Y93.3Very high94Very high19 Ų1940.4 Ų40.48%0.07521%0.212CC..Hα-helixtrans-57.6-53.4170.6167.1-97000111.4T240 C241 L246 L247 A248 I277 L280 S281 C287 S288T240-Y244 PolarHBondContact O-N 2.9Å; T240-Y244 VanDerWaalsContact O-N 3.1Å; C241-Y244 PolarHBondContact O-N 2.94Å; Y244-L246 VanDerWaalsContact C-N 3.33Å; Y244-L246 PolarHBondContact O-N 3.46Å; Y244-L247 PolarHBondContact O-N 3.46Å; Y244-A248 HydrophobicContact CE1-CB 4.41Å; Y244-A248 VanDerWaalsContact O-CB 3.24Å; Y244-A248 WeakPolarHBondContact O-CB 3.38Å; Y244-A248 PolarHBondContact O-N 3.1Å; Y244-I277 WeakPolarHBondContact CD2-O 3.2Å; Y244-L280 HydrophobicContact CD2-CB 4.24Å; Y244-L280 HydrophobicContact CG-CB 4.47Å; Y244-S281 VanDerWaalsContact OH-CB 3.3Å; Y244-S281 WeakPolarHBondContact OH-CB 3.36Å; Y244-S281 PolarHBondContact OH-OG 3.34Å; Y244-S281 VanDerWaalsContact OH-OG 3.12Å; Y244-C287 HydrophobicContact CD1-CB 3.91Å; Y244-C287 HydrophobicContact CE1-CB 4.36Å; Y244-C287 HydrophobicContact CG-CB 4.33Å; Y244-S288 WeakPolarHBondContact CE1-O 3Å
245T92.6Very high94Very high49 Ų4937 Ų3730%0.30119%0.194SC..Hα-helixtrans-56.9-44.3179.9-76.50000112.2C241 H249 F290C241-T245 WeakPolarHBondContact O-CB 3.47Å; C241-T245 PolarHBondContact O-N 2.98Å; C241-T245 PolarHBondContact O-OG1 3.49Å; T245-H249 WeakPolarHBondContact O-CB 3.25Å; T245-H249 PolarHBondContact O-N 3.27Å; T245-F290 HydrophobicContact CG2-CD2 3.85Å; T245-F290 HydrophobicContact CG2-CE2 4.23Å
246L94.3Very high93.8Very high2 Ų240 Ų401%0.0121%0.21CC..Hα-helixtrans-57.6-52.6176-17772.2000111.4I216 L219 N220 S242 Y244 H249 W250I216-L246 HydrophobicContact CD1-CB 4.43Å; I216-L246 HydrophobicContact CD1-CD2 3.71Å; L219-L246 HydrophobicContact CB-CD1 4.41Å; L219-L246 HydrophobicContact CB-CD2 4.15Å; L219-L246 HydrophobicContact CD1-CD2 3.83Å; N220-L246 WeakPolarHBondContact OD1-CD1 3.29Å; S242-L246 WeakPolarHBondContact O-CB 3.37Å; S242-L246 PolarHBondContact O-N 3.02Å; S242-L246 VanDerWaalsContact O-N 3.07Å; Y244-L246 VanDerWaalsContact C-N 3.33Å; Y244-L246 PolarHBondContact O-N 3.46Å; L246-H249 PolarHBondContact O-N 3.4Å; L246-W250 HydrophobicContact CD1-CZ2 3.8Å; L246-W250 VanDerWaalsContact CD1-NE1 3.32Å; L246-W250 HydrophobicContact CD2-CZ2 4.11Å; L246-W250 HydrophobicContact CG-CZ2 4Å; L246-W250 VanDerWaalsContact O-CG 3.3Å; L246-W250 PolarHBondContact O-N 2.88Å
247L94.9Very high93.8Very high0 Ų038 Ų380%020%0.197CC..Hα-helixtrans-74.6-29.4-175.8-72.4166000113F232 L243 Y244 W250 F251 V258 F265 I277 F278F232-L247 HydrophobicContact CE2-CD1 4.49Å; F232-L247 HydrophobicContact CZ-CD2 3.98Å; L243-L247 HydrophobicContact CD1-CD1 3.77Å; L243-L247 HydrophobicContact CD1-CG 4.41Å; L243-L247 HydrophobicContact CG-CD1 4.16Å; L243-L247 PolarHBondContact O-N 3.06Å; L243-L247 VanDerWaalsContact O-N 3.13Å; Y244-L247 PolarHBondContact O-N 3.46Å; L247-W250 HydrophobicContact CD2-CE3 4.41Å; L247-W250 PolarHBondContact O-N 3.33Å; L247-F251 VanDerWaalsContact O-CB 3.29Å; L247-F251 WeakPolarHBondContact O-CB 3.48Å; L247-F251 PolarHBondContact O-N 2.89Å; L247-V258 HydrophobicContact CD2-CG1 4.31Å; L247-V258 HydrophobicContact CD2-CG2 3.58Å; L247-F265 HydrophobicContact CD1-CD1 3.56Å; L247-F265 HydrophobicContact CD1-CE1 4.05Å; L247-F265 HydrophobicContact CD1-CG 4.26Å; L247-F265 HydrophobicContact CD2-CD1 3.92Å; L247-F265 HydrophobicContact CD2-CE1 3.64Å; L247-F265 HydrophobicContact CD2-CZ 4.08Å; L247-F265 HydrophobicContact CG-CD1 4.41Å; L247-I277 HydrophobicContact CD1-CD1 3.73Å; L247-I277 HydrophobicContact CD1-CG2 3.98Å; L247-F278 HydrophobicContact CB-CE1 4.37Å; L247-F278 HydrophobicContact CB-CZ 4.21Å
248A93Very high93.8Very high9 Ų937.9 Ų37.97%0.07420%0.197CC..Hα-helixtrans-65.5-45.1172.100000111.5Y244 F251 I252 F290Y244-A248 HydrophobicContact CE1-CB 4.41Å; Y244-A248 VanDerWaalsContact O-CB 3.24Å; Y244-A248 WeakPolarHBondContact O-CB 3.38Å; Y244-A248 PolarHBondContact O-N 3.1Å; A248-F251 PolarHBondContact O-N 3.27Å; A248-I252 WeakPolarHBondContact O-CG1 3.31Å; A248-I252 PolarHBondContact O-N 3.34Å; A248-F290 HydrophobicContact CB-CB 3.84Å; A248-F290 HydrophobicContact CB-CG 4.5Å
249H92.5Very high93.8Very high44 Ų4436.4 Ų36.420%0.20419%0.194CC..Hα-helixtrans-59-47.6172.2174.9-160.1000111.2T245 L246 F251 I252 R253 F290T245-H249 WeakPolarHBondContact O-CB 3.25Å; T245-H249 PolarHBondContact O-N 3.27Å; L246-H249 PolarHBondContact O-N 3.4Å; H249-F251 VanDerWaalsContact C-N 3.31Å; H249-F251 PolarHBondContact O-N 3.35Å; H249-I252 PolarHBondContact O-N 3.07Å; H249-R253 WeakPolarHBondContact O-CB 3.45Å; H249-R253 PolarHBondContact O-N 3.33Å; H249-F290 HydrophobicContact CB-CD1 4.24Å; H249-F290 HydrophobicContact CB-CD2 4.41Å; H249-F290 HydrophobicContact CB-CE1 3.78Å; H249-F290 HydrophobicContact CB-CE2 3.96Å; H249-F290 HydrophobicContact CB-CZ 3.61Å; H249-F290 AromaticContact CG-CZ 3.73Å
250W95.2Very high93.8Very high2 Ų240.4 Ų40.41%0.00821%0.214CC..Hα-helixtrans-64.7-34.1179.3-67.619.9000112.4L219 K227 L230 F232 L246 L247 K254 L255 V258L219-W250 HydrophobicContact CB-CZ2 4.28Å; K227-W250 HydrophobicContact CB-CD2 4.31Å; K227-W250 HydrophobicContact CB-CE3 4.4Å; K227-W250 HydrophobicContact CB-CH2 4.11Å; K227-W250 HydrophobicContact CB-CZ2 3.99Å; K227-W250 HydrophobicContact CB-CZ3 4.3Å; K227-W250 HydrophobicContact CD-CZ2 4.08Å; K227-W250 HydrophobicContact CG-CH2 4.12Å; K227-W250 HydrophobicContact CG-CZ2 3.63Å; L230-W250 HydrophobicContact CD2-CH2 4.22Å; F232-W250 HydrophobicContact CE1-CH2 4.04Å; F232-W250 AromaticContact CE1-CZ3 3.77Å; F232-W250 HydrophobicContact CE1-CZ3 3.77Å; F232-W250 HydrophobicContact CZ-CZ3 4.44Å; L246-W250 HydrophobicContact CD1-CZ2 3.8Å; L246-W250 VanDerWaalsContact CD1-NE1 3.32Å; L246-W250 HydrophobicContact CD2-CZ2 4.11Å; L246-W250 HydrophobicContact CG-CZ2 4Å; L246-W250 VanDerWaalsContact O-CG 3.3Å; L246-W250 PolarHBondContact O-N 2.88Å; L247-W250 HydrophobicContact CD2-CE3 4.41Å; L247-W250 PolarHBondContact O-N 3.33Å; W250-K254 PolarHBondContact O-N 3.28Å; W250-K254 VanDerWaalsContact O-N 3.1Å; W250-L255 HydrophobicContact CB-CB 4.38Å; W250-L255 HydrophobicContact CB-CD1 3.84Å; W250-L255 HydrophobicContact CB-CG 4.16Å; W250-L255 HydrophobicContact CD2-CD1 3.91Å; W250-L255 HydrophobicContact CE3-CD1 4.23Å; W250-L255 HydrophobicContact CG-CD1 3.7Å; W250-L255 WeakPolarHBondContact O-CG 3.26Å; W250-L255 PolarHBondContact O-N 3.19Å; W250-V258 HydrophobicContact CB-CB 4.45Å; W250-V258 HydrophobicContact CB-CG2 3.72Å; W250-V258 HydrophobicContact CD2-CG2 4.47Å; W250-V258 HydrophobicContact CE3-CG2 3.81Å
251F94.5Very high94Very high71 Ų7140.9 Ų40.931%0.31121%0.212SC..Hα-helixtrans-69-41.6173.9-176.8-103.4000112.5L247 A248 H249 K254 V258 V259 R262 F278L247-F251 VanDerWaalsContact O-CB 3.29Å; L247-F251 WeakPolarHBondContact O-CB 3.48Å; L247-F251 PolarHBondContact O-N 2.89Å; A248-F251 PolarHBondContact O-N 3.27Å; H249-F251 VanDerWaalsContact C-N 3.31Å; H249-F251 PolarHBondContact O-N 3.35Å; F251-K254 VanDerWaalsContact O-CA 3.29Å; F251-K254 WeakPolarHBondContact O-CA 3.26Å; F251-K254 PolarHBondContact O-N 3.19Å; F251-V258 HydrophobicContact CB-CG1 3.96Å; F251-V258 HydrophobicContact CD2-CG1 4.33Å; F251-V259 HydrophobicContact CD2-CG2 4.37Å; F251-R262 HydrophobicContact CE2-CG 4.39Å; F251-F278 HydrophobicContact CB-CE1 4.14Å; F251-F278 HydrophobicContact CB-CZ 4.45Å; F251-F278 HydrophobicContact CG-CE1 4.46Å
252I90.7Very high94Very high86 Ų8644 Ų4444%0.44122%0.217SC..Hα-helixtrans-65.6-42.4176-74160.3000111.2A248 H249 K254 F290A248-I252 WeakPolarHBondContact O-CG1 3.31Å; A248-I252 PolarHBondContact O-N 3.34Å; H249-I252 PolarHBondContact O-N 3.07Å; I252-K254 PolarHBondContact O-N 2.93Å; I252-K254 VanDerWaalsContact O-N 3.15Å; I252-F290 HydrophobicContact CD1-CD1 3.69Å; I252-F290 HydrophobicContact CD1-CE1 4.4Å
253R91.3Very high93.9Very high38 Ų3847.2 Ų47.214%0.14323%0.23CC..THydrogen-bonded Turntrans-65.2-9.3168.4-71.7-61.4-50.4-82.2-4.2113.2H249 L255 D308 K310 E366H249-R253 WeakPolarHBondContact O-CB 3.45Å; H249-R253 PolarHBondContact O-N 3.33Å; R253-L255 HydrophobicContact CB-CD2 4.17Å; R253-L255 HydrophobicContact CB-CG 4.24Å; R253-D308 PolarHBondContact NH1-O 3.4Å; R253-D308 PolarHBondContact NH2-O 3.26Å; R253-K310 WeakPolarHBondContact O-CE 3.27Å; R253-K310 PolarHBondContact O-NZ 3.36Å; R253-E366 IonicContact CZ-OE1 2.61Å; R253-E366 IonicContact NE-OE1 3.79Å; R253-E366 IonicContact NH2-OE1 3.99Å; R253-E366 PolarHBondContact NH2-OE1 3.37Å
254K93.7Very high94Very high142 Ų14250.6 Ų50.662%0.61725%0.245SC*.THydrogen-bonded Turntrans55.452.8-177.4-55171.8-174.5173.20112.4W250 F251 I252 V259 K310W250-K254 PolarHBondContact O-N 3.28Å; W250-K254 VanDerWaalsContact O-N 3.1Å; F251-K254 VanDerWaalsContact O-CA 3.29Å; F251-K254 WeakPolarHBondContact O-CA 3.26Å; F251-K254 PolarHBondContact O-N 3.19Å; I252-K254 PolarHBondContact O-N 2.93Å; I252-K254 VanDerWaalsContact O-N 3.15Å; K254-V259 HydrophobicContact CB-CG2 4.07Å; K254-K310 WeakPolarHBondContact O-CE 3.11Å; K254-K310 PolarHBondContact O-NZ 3.37Å
255L95.4Very high94.1Very high3 Ų349.8 Ų49.82%0.01624%0.242CC..  trans-77131.6173.3-57-167.4000110.3A224 K227 N228 W250 R253 C257 V258 V259 K310A224-L255 HydrophobicContact CB-CD2 4.45Å; K227-L255 HydrophobicContact CB-CD1 3.48Å; K227-L255 VanDerWaalsContact CB-CD1 3.48Å; K227-L255 HydrophobicContact CD-CD1 4.45Å; N228-L255 HydrophobicContact CB-CD2 4.36Å; N228-L255 WeakPolarHBondContact OD1-CA 3.27Å; W250-L255 HydrophobicContact CB-CB 4.38Å; W250-L255 HydrophobicContact CB-CD1 3.84Å; W250-L255 HydrophobicContact CB-CG 4.16Å; W250-L255 HydrophobicContact CD2-CD1 3.91Å; W250-L255 HydrophobicContact CE3-CD1 4.23Å; W250-L255 HydrophobicContact CG-CD1 3.7Å; W250-L255 WeakPolarHBondContact O-CG 3.26Å; W250-L255 PolarHBondContact O-N 3.19Å; R253-L255 HydrophobicContact CB-CD2 4.17Å; R253-L255 HydrophobicContact CB-CG 4.24Å; L255-C257 VanDerWaalsContact C-N 3.31Å; L255-C257 PolarHBondContact O-N 2.96Å; L255-V258 PolarHBondContact O-N 3.18Å; L255-V259 WeakPolarHBondContact O-CG2 3.44Å; L255-V259 PolarHBondContact O-N 3.38Å; L255-K310 HydrophobicContact CD2-CD 4.11Å; L255-K310 HydrophobicContact CD2-CG 3.68Å
256N95.3Very high94.1Very high63 Ų6348.7 Ų48.734%0.33724%0.235SC..Hα-helixtrans-52.1-47.8-174.8-69.837.9000111.9N228 V258 V259 D260N228-N256 PolarHBondContact OD1-N 3.21Å; N228-N256 PolarHBondContact OD1-OD1 2.94Å; N256-V258 PolarHBondContact O-N 3.4Å; N256-V259 PolarHBondContact O-N 3.29Å; N256-D260 WeakPolarHBondContact CB-OD2 3.07Å; N256-D260 WeakPolarHBondContact O-CB 3.26Å; N256-D260 VanDerWaalsContact O-CG 3.24Å; N256-D260 PolarHBondContact O-N 2.96Å
257C95.7Very high94.2Very high0 Ų048.6 Ų48.60%024%0.235CC..Hα-helixtrans-52.7-17.6176.463.10000116.1K227 N228 L230 Y231 L255 F265K227-C257 PolarHBondContact O-SG 2.88Å; N228-C257 WeakPolarHBondContact O-CB 3.36Å; N228-C257 PolarHBondContact O-N 3.26Å; L230-C257 WeakPolarHBondContact O-CB 3.17Å; Y231-C257 HydrophobicContact CD1-CB 3.92Å; Y231-C257 VanDerWaalsContact CE1-CA 3.48Å; Y231-C257 HydrophobicContact CE1-CB 3.88Å; Y231-C257 HydrophobicContact CG-CB 4.32Å; L255-C257 VanDerWaalsContact C-N 3.31Å; L255-C257 PolarHBondContact O-N 2.96Å; C257-F265 WeakPolarHBondContact O-CE2 3.23Å; C257-F265 VanDerWaalsContact O-CZ 3.25Å; C257-F265 WeakPolarHBondContact O-CZ 3.34Å
258V96.1Very high94.2Very high0 Ų050.3 Ų50.30%025%0.245CC..Hα-helixtrans-114.8-34.2176.8-173.30000112.6L247 W250 F251 L255 N256 R262 F265 F278L247-V258 HydrophobicContact CD2-CG1 4.31Å; L247-V258 HydrophobicContact CD2-CG2 3.58Å; W250-V258 HydrophobicContact CB-CB 4.45Å; W250-V258 HydrophobicContact CB-CG2 3.72Å; W250-V258 HydrophobicContact CD2-CG2 4.47Å; W250-V258 HydrophobicContact CE3-CG2 3.81Å; F251-V258 HydrophobicContact CB-CG1 3.96Å; F251-V258 HydrophobicContact CD2-CG1 4.33Å; L255-V258 PolarHBondContact O-N 3.18Å; N256-V258 PolarHBondContact O-N 3.4Å; V258-R262 VanDerWaalsContact O-CA 3.29Å; V258-R262 WeakPolarHBondContact O-CA 3.1Å; V258-R262 WeakPolarHBondContact O-CB 3.35Å; V258-R262 PolarHBondContact O-N 2.94Å; V258-F265 HydrophobicContact CB-CE2 4.48Å; V258-F265 HydrophobicContact CG1-CE2 4.49Å; V258-F265 HydrophobicContact CG2-CE2 4.42Å; V258-F265 HydrophobicContact CG2-CZ 4.33Å; V258-F278 HydrophobicContact CG1-CE2 4.41Å; V258-F278 HydrophobicContact CG1-CZ 3.61Å
259V95.1Very high94.1Very high61 Ų6151 Ų5137%0.3725%0.247SC..Hα-helixtrans-68.3-47178.1173.10000110.9F251 K254 L255 N256 F261F251-V259 HydrophobicContact CD2-CG2 4.37Å; K254-V259 HydrophobicContact CB-CG2 4.07Å; L255-V259 WeakPolarHBondContact O-CG2 3.44Å; L255-V259 PolarHBondContact O-N 3.38Å; N256-V259 PolarHBondContact O-N 3.29Å; V259-F261 VanDerWaalsContact C-N 3.34Å; V259-F261 PolarHBondContact O-N 3.11Å
260D94.9Very high93.8Very high95 Ų9554.9 Ų54.951%0.50828%0.277SS..THydrogen-bonded Turntrans-74.9-27-171.8-55.3-21.8000111.9N256N256-D260 WeakPolarHBondContact CB-OD2 3.07Å; N256-D260 WeakPolarHBondContact O-CB 3.26Å; N256-D260 VanDerWaalsContact O-CG 3.24Å; N256-D260 PolarHBondContact O-N 2.96Å
261F95.8Very high93.3Very high64 Ų6459.6 Ų59.628%0.28130%0.302SS..THydrogen-bonded Turntrans-120.121.8-173.1-62.7-77.9000113.7Y231 H233 V259 D263 E264 F265Y231-F261 AromaticContact CD1-CD2 3.76Å; Y231-F261 HydrophobicContact CD1-CD2 3.76Å; Y231-F261 AromaticContact CD1-CE2 3.66Å; Y231-F261 HydrophobicContact CD1-CE2 3.66Å; Y231-F261 AromaticContact CE1-CD2 3.91Å; Y231-F261 HydrophobicContact CE1-CD2 3.91Å; Y231-F261 AromaticContact CE1-CE2 3.6Å; Y231-F261 HydrophobicContact CE1-CE2 3.6Å; H233-F261 HydrophobicContact CB-CB 4.14Å; H233-F261 AromaticContact CD2-CD2 4Å; H233-F261 AromaticContact CD2-CG 3.65Å; H233-F261 AromaticContact CE1-CD1 3.26Å; H233-F261 WeakPolarHBondContact CE1-CD1 3.4Å; H233-F261 AromaticContact CE1-CE1 3.61Å; H233-F261 AromaticContact CE1-CG 3.63Å; H233-F261 AromaticContact CG-CG 3.96Å; H233-F261 AromaticContact ND1-CD1 3.69Å; H233-F261 AromaticContact ND1-CG 3.94Å; H233-F261 AromaticContact NE2-CD1 3.58Å; H233-F261 AromaticContact NE2-CD2 3.73Å; H233-F261 AromaticContact NE2-CE1 3.9Å; H233-F261 AromaticContact NE2-CG 3.49Å; H233-F261 WeakPolarHBondContact NE2-CG 3.19Å; V259-F261 VanDerWaalsContact C-N 3.34Å; V259-F261 PolarHBondContact O-N 3.11Å; F261-D263 VanDerWaalsContact C-N 3.27Å; F261-D263 PolarHBondContact O-N 3.43Å; F261-D263 VanDerWaalsContact O-N 3.13Å; F261-E264 WeakPolarHBondContact O-CB 3.32Å; F261-E264 PolarHBondContact O-N 3.26Å; F261-F265 HydrophobicContact CB-CE2 4.14Å; F261-F265 VanDerWaalsContact O-CD2 3.27Å; F261-F265 WeakPolarHBondContact O-CD2 3.42Å
262R93Very high92.9Very high111 Ų11161.1 Ų61.142%0.41932%0.321SS..G310 helixtrans-47.5-46.2-172.5-171.5-171.8179.6-164.5-4.5113.8F251 V258 E264 F265 F278F251-R262 HydrophobicContact CE2-CG 4.39Å; V258-R262 VanDerWaalsContact O-CA 3.29Å; V258-R262 WeakPolarHBondContact O-CA 3.1Å; V258-R262 WeakPolarHBondContact O-CB 3.35Å; V258-R262 PolarHBondContact O-N 2.94Å; R262-E264 PolarHBondContact O-N 2.94Å; R262-F265 PolarHBondContact O-N 2.82Å; R262-F278 HydrophobicContact CG-CD2 3.87Å; R262-F278 HydrophobicContact CG-CE2 3.66Å; R262-F278 HydrophobicContact CG-CZ 4.39Å
263D91.8Very high92.8Very high127 Ų12762.5 Ų62.568%0.67933%0.326SS*.G310 helixtrans-80.6-2.3-175.1-60.4-20.7000113.3F261 Q276F261-D263 VanDerWaalsContact C-N 3.27Å; F261-D263 PolarHBondContact O-N 3.43Å; F261-D263 VanDerWaalsContact O-N 3.13Å; D263-Q276 PolarHBondContact O-NE2 3.29Å; D263-Q276 PolarHBondContact O-OE1 3.05Å
264E95Very high92.8Very high77 Ų7767.2 Ų67.236%0.3635%0.348SS..G310 helixtrans-98.9-6.8172.7-66.6-169.9-143.800113.3H233 N234 F261 R262 T266H233-E264 HydrophobicContact CB-CB 3.79Å; H233-E264 IonicContact CE1-OE2 3.48Å; H233-E264 PolarHBondContact CE1-OE2 3.24Å; H233-E264 IonicContact CG-OE2 3.89Å; H233-E264 IonicContact ND1-OE2 2.75Å; H233-E264 PolarHBondContact ND1-OE2 2.92Å; N234-E264 PolarHBondContact N-O 3.4Å; F261-E264 WeakPolarHBondContact O-CB 3.32Å; F261-E264 PolarHBondContact O-N 3.26Å; R262-E264 PolarHBondContact O-N 2.94Å; E264-T266 PolarHBondContact O-N 3.11Å
265F94.6Very high92.7Very high1 Ų161.6 Ų61.60%0.00433%0.326CS..  trans-77.466.8174.4-79.7-79.7000111.9F232 H233 L247 C257 V258 F261 R262 Q276 I277 F278F232-F265 HydrophobicContact CD2-CE1 4.1Å; F232-F265 AromaticContact CE2-CE1 3.89Å; F232-F265 HydrophobicContact CE2-CE1 3.89Å; F232-F265 HydrophobicContact CZ-CE1 4.17Å; H233-F265 HydrophobicContact CB-CD1 4.37Å; H233-F265 HydrophobicContact CB-CD2 4.09Å; H233-F265 HydrophobicContact CB-CE1 4.14Å; H233-F265 HydrophobicContact CB-CE2 3.81Å; H233-F265 HydrophobicContact CB-CG 4.35Å; H233-F265 HydrophobicContact CB-CZ 3.85Å; L247-F265 HydrophobicContact CD1-CD1 3.56Å; L247-F265 HydrophobicContact CD1-CE1 4.05Å; L247-F265 HydrophobicContact CD1-CG 4.26Å; L247-F265 HydrophobicContact CD2-CD1 3.92Å; L247-F265 HydrophobicContact CD2-CE1 3.64Å; L247-F265 HydrophobicContact CD2-CZ 4.08Å; L247-F265 HydrophobicContact CG-CD1 4.41Å; C257-F265 WeakPolarHBondContact O-CE2 3.23Å; C257-F265 VanDerWaalsContact O-CZ 3.25Å; C257-F265 WeakPolarHBondContact O-CZ 3.34Å; V258-F265 HydrophobicContact CB-CE2 4.48Å; V258-F265 HydrophobicContact CG1-CE2 4.49Å; V258-F265 HydrophobicContact CG2-CE2 4.42Å; V258-F265 HydrophobicContact CG2-CZ 4.33Å; F261-F265 HydrophobicContact CB-CE2 4.14Å; F261-F265 VanDerWaalsContact O-CD2 3.27Å; F261-F265 WeakPolarHBondContact O-CD2 3.42Å; R262-F265 PolarHBondContact O-N 2.82Å; F265-Q276 PolarHBondContact O-OE1 3.06Å; F265-I277 HydrophobicContact CB-CD1 4.19Å; F265-I277 HydrophobicContact CD1-CD1 4.45Å; F265-I277 VanDerWaalsContact O-CB 3.29Å; F265-I277 WeakPolarHBondContact O-CB 3.27Å; F265-I277 WeakPolarHBondContact O-CD1 3.03Å; F265-I277 VanDerWaalsContact O-CG1 3.23Å; F265-I277 WeakPolarHBondContact O-CG1 3.07Å; F265-I277 PolarHBondContact O-N 3.45Å; F265-F278 HydrophobicContact CB-CE2 4.09Å
266T94.3Very high92.5Very high26 Ų2664 Ų6416%0.1634%0.337CS..EExtended strand (participates in β ladder)trans-85.6154.5170.759.90000112.3E264 T275 Q276E264-T266 PolarHBondContact O-N 3.11Å; T266-T275 CarbonylContact C-O 3.58Å; T266-T275 WeakPolarHBondContact CA-O 3.28Å; T266-T275 WeakPolarHBondContact CB-O 3.15Å; T266-Q276 VanDerWaalsContact CG2-OE1 3.24Å
267C95.1Very high92.3Very high0 Ų061 Ų610%032%0.321CS..EExtended strand (participates in β ladder)trans-135.8165168.567.50000111.1L237 C239 K274 T275 I277L237-C267 HydrophobicContact CB-CB 4.33Å; L237-C267 CarbonylContact O-C 3.2Å; L237-C267 VanDerWaalsContact O-CA 3.26Å; L237-C267 WeakPolarHBondContact O-CA 3.42Å; L237-C267 WeakPolarHBondContact O-CB 3.41Å; C239-C267 WeakPolarHBondContact CA-SG 3.23Å; C239-C267 HydrophobicContact CB-CB 3.98Å; C239-C267 WeakPolarHBondContact CB-SG 3.2Å; C239-C267 WeakPolarHBondContact SG-CB 3.49Å; C239-C267 CovalentContact SG-SG 2.04Å; C239-C267 PolarHBondContact SG-SG 2.95Å; C267-K274 WeakPolarHBondContact O-CA 3.48Å; C267-T275 PolarHBondContact N-O 2.9Å; C267-T275 PolarHBondContact O-N 3.2Å; C267-I277 HydrophobicContact CB-CD1 4.06Å; C267-I277 HydrophobicContact CB-CG1 3.64Å
268V94.8Very high91.9Very high36 Ų3662.4 Ų62.422%0.21833%0.327CS..EExtended strand (participates in β ladder)trans-106.5120.7179.1-171.20000108.9P236 L237 C239 Q273 K274P236-V268 HydrophobicContact CB-CG2 4.37Å; L237-V268 PolarHBondContact O-N 3.49Å; C239-V268 PolarHBondContact N-O 2.9Å; C239-V268 PolarHBondContact SG-N 3.09Å; V268-Q273 WeakPolarHBondContact CA-O 3.37Å; V268-K274 HydrophobicContact CG2-CG 4.35Å
269L91.1Very high91.4Very high23 Ų2366.7 Ų66.712%0.1235%0.35CS..  trans-73.6163.2173.1-77.8112.1000111.3C239 N271 S272 Q273 T275 M285C239-L269 HydrophobicContact CB-CG 4.39Å; L269-N271 WeakPolarHBondContact CB-OD1 3.44Å; L269-N271 PolarHBondContact O-N 2.93Å; L269-N271 VanDerWaalsContact O-N 3.1Å; L269-S272 WeakPolarHBondContact O-CA 3.35Å; L269-S272 PolarHBondContact O-N 3.21Å; L269-Q273 HydrophobicContact CD1-CB 4.38Å; L269-Q273 PolarHBondContact N-O 2.9Å; L269-T275 HydrophobicContact CD1-CG2 3.47Å; L269-T275 VanDerWaalsContact CD1-CG2 3.47Å; L269-T275 HydrophobicContact CG-CG2 4.41Å; L269-M285 HydrophobicContact CD2-CG 4.38Å
270P86.5Confident90.7Very high127 Ų12763.8 Ų63.883%0.82533%0.332SS*.THydrogen-bonded Turntrans-56.4-25.2175.8-27.136.1000115S272P270-S272 PolarHBondContact O-N 3.38Å
271N85.8Confident89.7Confident101 Ų10161.1 Ų61.154%0.5432%0.321SS..THydrogen-bonded Turntrans-79.48.2173.971.4-11.8000113.9L269 Q273L269-N271 WeakPolarHBondContact CB-OD1 3.44Å; L269-N271 PolarHBondContact O-N 2.93Å; L269-N271 VanDerWaalsContact O-N 3.1Å; N271-Q273 PolarHBondContact ND2-OE1 3.3Å; N271-Q273 VanDerWaalsContact ND2-OE1 3.08Å; N271-Q273 PolarHBondContact O-N 3.06Å; N271-Q273 WeakPolarHBondContact OD1-CB 3.15Å; N271-Q273 PolarHBondContact OD1-N 2.9Å
272S85.6Confident88.5Confident102 Ų10259.8 Ų59.871%0.71333%0.325SS*.SBendtrans64.29.3-173.5-55.80000116.3L269 P270L269-S272 WeakPolarHBondContact O-CA 3.35Å; L269-S272 PolarHBondContact O-N 3.21Å; P270-S272 PolarHBondContact O-N 3.38Å
273Q88.4Confident87.1Confident116 Ų11664.2 Ų64.254%0.54235%0.35SS..  trans-73.4140.9170.7-172.6176.2-10.200110.4V268 L269 N271V268-Q273 WeakPolarHBondContact CA-O 3.37Å; L269-Q273 HydrophobicContact CD1-CB 4.38Å; L269-Q273 PolarHBondContact N-O 2.9Å; N271-Q273 PolarHBondContact ND2-OE1 3.3Å; N271-Q273 VanDerWaalsContact ND2-OE1 3.08Å; N271-Q273 PolarHBondContact O-N 3.06Å; N271-Q273 WeakPolarHBondContact OD1-CB 3.15Å; N271-Q273 PolarHBondContact OD1-N 2.9Å
274K90.1Very high85.9Confident136 Ų13660.1 Ų60.159%0.59133%0.331SS*.EExtended strand (participates in β ladder)trans-87.7139.3167.7-71.3-169173.6-164.20110.5C267 V268C267-K274 WeakPolarHBondContact O-CA 3.48Å; V268-K274 HydrophobicContact CG2-CG 4.35Å
275T91.4Very high85Confident25 Ų2560 Ų6015%0.15333%0.332CS..EExtended strand (participates in β ladder)trans-136.5163.8170.5-167.70000110.1T266 C267 L269 L280T266-T275 CarbonylContact C-O 3.58Å; T266-T275 WeakPolarHBondContact CA-O 3.28Å; T266-T275 WeakPolarHBondContact CB-O 3.15Å; C267-T275 PolarHBondContact N-O 2.9Å; C267-T275 PolarHBondContact O-N 3.2Å; L269-T275 HydrophobicContact CD1-CG2 3.47Å; L269-T275 VanDerWaalsContact CD1-CG2 3.47Å; L269-T275 HydrophobicContact CG-CG2 4.41Å; T275-L280 HydrophobicContact CG2-CD2 3.86Å
276Q91.3Very high84.3Confident54 Ų5466.5 Ų66.525%0.25237%0.367SS..EExtended strand (participates in β ladder)trans-73.6143.1162.9-61.3-66.6600110D263 F265 T266 F278 D279D263-Q276 PolarHBondContact O-NE2 3.29Å; D263-Q276 PolarHBondContact O-OE1 3.05Å; F265-Q276 PolarHBondContact O-OE1 3.06Å; T266-Q276 VanDerWaalsContact CG2-OE1 3.24Å; Q276-F278 VanDerWaalsContact C-N 3.28Å; Q276-F278 PolarHBondContact O-N 3.31Å; Q276-D279 WeakPolarHBondContact CB-OD2 3.36Å; Q276-D279 PolarHBondContact O-N 2.93Å
277I91.3Very high83.9Confident0 Ų065.5 Ų65.50%036%0.361CS..G310 helixtrans-64.6-35.5179.3-72.7166.3000110.8L237 L243 Y244 L247 F265 C267 D279 L280L237-I277 HydrophobicContact CD1-CD1 4.07Å; L243-I277 HydrophobicContact CD2-CD1 3.75Å; L243-I277 HydrophobicContact CD2-CG1 4.43Å; L243-I277 HydrophobicContact CG-CD1 4.05Å; Y244-I277 WeakPolarHBondContact CD2-O 3.2Å; L247-I277 HydrophobicContact CD1-CD1 3.73Å; L247-I277 HydrophobicContact CD1-CG2 3.98Å; F265-I277 HydrophobicContact CB-CD1 4.19Å; F265-I277 HydrophobicContact CD1-CD1 4.45Å; F265-I277 VanDerWaalsContact O-CB 3.29Å; F265-I277 WeakPolarHBondContact O-CB 3.27Å; F265-I277 WeakPolarHBondContact O-CD1 3.03Å; F265-I277 VanDerWaalsContact O-CG1 3.23Å; F265-I277 WeakPolarHBondContact O-CG1 3.07Å; F265-I277 PolarHBondContact O-N 3.45Å; C267-I277 HydrophobicContact CB-CD1 4.06Å; C267-I277 HydrophobicContact CB-CG1 3.64Å; I277-D279 PolarHBondContact O-N 2.92Å; I277-L280 HydrophobicContact CB-CD1 4.41Å; I277-L280 HydrophobicContact CG2-CD1 4.15Å; I277-L280 VanDerWaalsContact O-CB 3.29Å; I277-L280 WeakPolarHBondContact O-CB 3.29Å; I277-L280 WeakPolarHBondContact O-CD1 3.34Å; I277-L280 WeakPolarHBondContact O-CG 3.42Å; I277-L280 PolarHBondContact O-N 3.07Å
278F87.8Confident83.3Confident28 Ų2870 Ų7012%0.12339%0.392CS..G310 helixtrans-68.6-17.3-178.7-64.2-71.7000114.3L247 F251 V258 R262 F265 Q276 L280L247-F278 HydrophobicContact CB-CE1 4.37Å; L247-F278 HydrophobicContact CB-CZ 4.21Å; F251-F278 HydrophobicContact CB-CE1 4.14Å; F251-F278 HydrophobicContact CB-CZ 4.45Å; F251-F278 HydrophobicContact CG-CE1 4.46Å; V258-F278 HydrophobicContact CG1-CE2 4.41Å; V258-F278 HydrophobicContact CG1-CZ 3.61Å; R262-F278 HydrophobicContact CG-CD2 3.87Å; R262-F278 HydrophobicContact CG-CE2 3.66Å; R262-F278 HydrophobicContact CG-CZ 4.39Å; F265-F278 HydrophobicContact CB-CE2 4.09Å; Q276-F278 VanDerWaalsContact C-N 3.28Å; Q276-F278 PolarHBondContact O-N 3.31Å; F278-L280 VanDerWaalsContact C-N 3.33Å
279D84.8Confident82.6Confident91 Ų9172.6 Ų72.649%0.48741%0.408SS..G310 helixtrans-86-4.5178.2-57.4-21.6000112.7Q276 I277 S281 G282 S284Q276-D279 WeakPolarHBondContact CB-OD2 3.36Å; Q276-D279 PolarHBondContact O-N 2.93Å; I277-D279 PolarHBondContact O-N 2.92Å; D279-S281 VanDerWaalsContact C-N 3.29Å; D279-S281 PolarHBondContact O-N 2.75Å; D279-G282 PolarHBondContact O-N 2.03Å; D279-G282 VanDerWaalsContact O-N 3.12Å; D279-S284 PolarHBondContact O-OG 2.81Å
280L80.8Confident82Confident0 Ų073.9 Ų73.90%041%0.413CS..G310 helixtrans-67.1-23.1-176.3-67.9174.2000114.3C239 Y244 T275 I277 F278 G282 S284 M285 N286 C287C239-L280 HydrophobicContact CB-CD1 4.28Å; C239-L280 HydrophobicContact CB-CD2 4.05Å; Y244-L280 HydrophobicContact CD2-CB 4.24Å; Y244-L280 HydrophobicContact CG-CB 4.47Å; T275-L280 HydrophobicContact CG2-CD2 3.86Å; I277-L280 HydrophobicContact CB-CD1 4.41Å; I277-L280 HydrophobicContact CG2-CD1 4.15Å; I277-L280 VanDerWaalsContact O-CB 3.29Å; I277-L280 WeakPolarHBondContact O-CB 3.29Å; I277-L280 WeakPolarHBondContact O-CD1 3.34Å; I277-L280 WeakPolarHBondContact O-CG 3.42Å; I277-L280 PolarHBondContact O-N 3.07Å; F278-L280 VanDerWaalsContact C-N 3.33Å; L280-G282 VanDerWaalsContact C-N 3.29Å; L280-S284 WeakPolarHBondContact CA-OG 3.42Å; L280-M285 HydrophobicContact CB-CB 4.48Å; L280-M285 HydrophobicContact CD2-CB 4.16Å; L280-M285 HydrophobicContact CD2-CG 3.8Å; L280-M285 HydrophobicContact CD2-SD 3.88Å; L280-M285 CarbonylContact O-C 3.27Å; L280-M285 PolarHBondContact O-N 2.89Å; L280-N286 PolarHBondContact O-N 2.85Å; L280-C287 PolarHBondContact O-N 3.25Å; L280-C287 VanDerWaalsContact O-N 3.07Å
281S74.3Confident81.5Confident39 Ų3975.4 Ų75.427%0.27341%0.407SS..G310 helixtrans-78.2-12.9174.154.10000114.1Y244 D279 C287Y244-S281 VanDerWaalsContact OH-CB 3.3Å; Y244-S281 WeakPolarHBondContact OH-CB 3.36Å; Y244-S281 PolarHBondContact OH-OG 3.34Å; Y244-S281 VanDerWaalsContact OH-OG 3.12Å; D279-S281 VanDerWaalsContact C-N 3.29Å; D279-S281 PolarHBondContact O-N 2.75Å; S281-C287 VanDerWaalsContact CA-O 3.23Å; S281-C287 WeakPolarHBondContact CA-O 3.47Å; S281-C287 WeakPolarHBondContact CB-O 3.46Å
282G71.6Confident81.1Confident35 Ų3576.1 Ų76.136%0.36141%0.407SS..THydrogen-bonded Turntrans-102.2-119.417300000111.2D279 L280 S284 N286D279-G282 PolarHBondContact O-N 2.03Å; D279-G282 VanDerWaalsContact O-N 3.12Å; L280-G282 VanDerWaalsContact C-N 3.29Å; G282-S284 VanDerWaalsContact C-N 3.27Å; G282-S284 PolarHBondContact O-N 2.87Å; G282-S284 VanDerWaalsContact O-N 3.09Å; G282-N286 PolarHBondContact O-N 2.75Å; G282-N286 PolarHBondContact O-OD1 2.81Å
283E62.1Low80.7Confident205 Ų20579.8 Ų79.896%0.95841%0.413SS*.THydrogen-bonded Turntrans-66.4-17.2-159.8-53.9-173.3156.200116
284S67.8Low80.4Confident40 Ų4076 Ų7628%0.2841%0.405SS..THydrogen-bonded Turntrans-110.8-27.1-161.953.30000116.1D279 L280 G282D279-S284 PolarHBondContact O-OG 2.81Å; L280-S284 WeakPolarHBondContact CA-OG 3.42Å; G282-S284 VanDerWaalsContact C-N 3.27Å; G282-S284 PolarHBondContact O-N 2.87Å; G282-S284 VanDerWaalsContact O-N 3.09Å
285M74.7Confident80.4Confident74 Ų7474.3 Ų74.337%0.36540%0.399SS..THydrogen-bonded Turntrans-143.6-2.6175.2-74.1-165.772.300115.6C239 L269 L280 C287C239-M285 HydrophobicContact CB-SD 3.85Å; L269-M285 HydrophobicContact CD2-CG 4.38Å; L280-M285 HydrophobicContact CB-CB 4.48Å; L280-M285 HydrophobicContact CD2-CB 4.16Å; L280-M285 HydrophobicContact CD2-CG 3.8Å; L280-M285 HydrophobicContact CD2-SD 3.88Å; L280-M285 CarbonylContact O-C 3.27Å; L280-M285 PolarHBondContact O-N 2.89Å; M285-C287 PolarHBondContact O-N 3.19Å
286N81.5Confident80.4Confident138 Ų13878 Ų7874%0.73842%0.415SS*.  trans50.335.4-174.3-66.9-35.2000113.7L280 G282 S288L280-N286 PolarHBondContact O-N 2.85Å; G282-N286 PolarHBondContact O-N 2.75Å; G282-N286 PolarHBondContact O-OD1 2.81Å; N286-S288 PolarHBondContact O-N 2.97Å
287C85.1Confident80.5Confident5 Ų575.5 Ų75.53%0.03440%0.403CS..PPolyproline II helixtrans-63.4133177.1-62.10000110.8C241 Y244 L280 S281 M285 T289C241-C287 WeakPolarHBondContact CA-SG 3.49Å; C241-C287 HydrophobicContact CB-CB 3.72Å; C241-C287 WeakPolarHBondContact CB-SG 3Å; C241-C287 VanDerWaalsContact SG-CA 3.51Å; C241-C287 WeakPolarHBondContact SG-CB 3.35Å; C241-C287 CovalentContact SG-SG 2.04Å; C241-C287 PolarHBondContact SG-SG 2.98Å; Y244-C287 HydrophobicContact CD1-CB 3.91Å; Y244-C287 HydrophobicContact CE1-CB 4.36Å; Y244-C287 HydrophobicContact CG-CB 4.33Å; L280-C287 PolarHBondContact O-N 3.25Å; L280-C287 VanDerWaalsContact O-N 3.07Å; S281-C287 VanDerWaalsContact CA-O 3.23Å; S281-C287 WeakPolarHBondContact CA-O 3.47Å; S281-C287 WeakPolarHBondContact CB-O 3.46Å; M285-C287 PolarHBondContact O-N 3.19Å; C287-T289 PolarHBondContact O-N 3.3Å
288S83Confident80.5Confident94 Ų9477.7 Ų77.766%0.65741%0.412SS*.PPolyproline II helixtrans-55.7128.4175.353.30000111.1Y244 N286 F290Y244-S288 WeakPolarHBondContact CE1-O 3Å; N286-S288 PolarHBondContact O-N 2.97Å; S288-F290 PolarHBondContact O-N 2.03Å
289T78.6Confident80.7Confident91 Ų9178.6 Ų78.656%0.55842%0.418SS*.PPolyproline II helixtrans-54.3129.8174.4510000110.3C287 K291C287-T289 PolarHBondContact O-N 3.3Å; T289-K291 PolarHBondContact O-N 3.1Å
290F79.6Confident80.9Confident50 Ų5081.5 Ų81.522%0.21943%0.429CS..PPolyproline II helixtrans-58.5135.5177.4-179.7-102000110.9T245 A248 H249 I252 S288 E292T245-F290 HydrophobicContact CG2-CD2 3.85Å; T245-F290 HydrophobicContact CG2-CE2 4.23Å; A248-F290 HydrophobicContact CB-CB 3.84Å; A248-F290 HydrophobicContact CB-CG 4.5Å; H249-F290 HydrophobicContact CB-CD1 4.24Å; H249-F290 HydrophobicContact CB-CD2 4.41Å; H249-F290 HydrophobicContact CB-CE1 3.78Å; H249-F290 HydrophobicContact CB-CE2 3.96Å; H249-F290 HydrophobicContact CB-CZ 3.61Å; H249-F290 AromaticContact CG-CZ 3.73Å; I252-F290 HydrophobicContact CD1-CD1 3.69Å; I252-F290 HydrophobicContact CD1-CE1 4.4Å; S288-F290 PolarHBondContact O-N 2.03Å; F290-E292 HydrophobicContact CE1-CB 4.14Å
291K76.7Confident81.4Confident160 Ų16083.9 Ų83.970%0.69644%0.44SS*.  trans-121.5134.1168.7-65-178-178.9179.90107.1T289 E293T289-K291 PolarHBondContact O-N 3.1Å; K291-E293 PolarHBondContact O-N 2.68Å
292E76.5Confident82.2Confident116 Ų11685.7 Ų85.754%0.54245%0.449SS..  trans-75106.7169.9-163.7158.7-140.600106.8F290F290-E292 HydrophobicContact CE1-CB 4.14Å
293E77.9Confident83.3Confident179 Ų17984.9 Ų84.984%0.83644%0.437SS*.PPolyproline II helixtrans-76.9139178.3-65.7-175.7154.700109.4K291K291-E293 PolarHBondContact O-N 2.68Å
294G82.4Confident84.8Confident37 Ų3779.5 Ų79.538%0.38141%0.414SS..PPolyproline II helixtrans-75.1155176.700000111.7E296 V371G294-E296 PolarHBondContact O-N 3.11Å; G294-V371 CarbonylContact C-O 3.6Å; G294-V371 VanDerWaalsContact CA-O 3.26Å; G294-V371 WeakPolarHBondContact CA-O 3.21Å
295E89Confident86Confident99 Ų9977.6 Ų77.646%0.46340%0.401SS..EExtended strand (participates in β ladder)trans-66.3130.9171.8-65.9-72.5176.800109.2L305 I370 V371 L372 K373E295-L305 HydrophobicContact CB-CD2 4.32Å; E295-L305 HydrophobicContact CG-CD2 4.09Å; E295-I370 HydrophobicContact CG-CG2 3.84Å; E295-V371 PolarHBondContact N-O 3.21Å; E295-L372 HydrophobicContact CB-CD1 4.06Å; E295-L372 WeakPolarHBondContact O-CA 3.49Å; E295-L372 WeakPolarHBondContact O-CD1 3.47Å; E295-K373 PolarHBondContact O-N 3.13Å
296E92.2Very high86.9Confident104 Ų10477 Ų7749%0.48640%0.403SS..EExtended strand (participates in β ladder)trans-106137.7175.7-62.4-160.514400111G294 K373 H375G294-E296 PolarHBondContact O-N 3.11Å; E296-K373 WeakPolarHBondContact CA-O 3.03Å; E296-K373 HydrophobicContact CG-CB 4.46Å; E296-K373 HydrophobicContact CG-CD 4.37Å; E296-K373 WeakPolarHBondContact OE1-CD 3.27Å; E296-K373 WeakPolarHBondContact OE1-CE 3.36Å; E296-K373 IonicContact OE1-NZ 2.77Å; E296-K373 PolarHBondContact OE1-NZ 2.88Å; E296-H375 IonicContact OE1-NE2 3.69Å; E296-H375 IonicContact OE2-NE2 3.62Å
297A92.1Very high87.4Confident0 Ų070.5 Ų70.50%037%0.369CS..EExtended strand (participates in β ladder)trans-138.9154.1-175.500000113.1Q301 L303 V347 L372 K373 V374 H375A297-Q301 VanDerWaalsContact CB-NE2 3.29Å; A297-L303 HydrophobicContact CB-CD2 4.09Å; A297-V347 HydrophobicContact CB-CG1 4.22Å; A297-L372 HydrophobicContact CB-CD1 3.79Å; A297-K373 PolarHBondContact N-O 2.76Å; A297-V374 HydrophobicContact CB-CG2 4.41Å; A297-V374 CarbonylContact O-C 3.35Å; A297-V374 WeakPolarHBondContact O-CA 3.47Å; A297-H375 WeakPolarHBondContact O-CB 3.23Å; A297-H375 PolarHBondContact O-CD2 3.43Å; A297-H375 PolarHBondContact O-N 2.95Å
298F93.1Very high87.7Confident47 Ų4772.3 Ų72.321%0.20638%0.378CS..EExtended strand (participates in β ladder)trans-108.4159177.3-55.7-71.2000111Q301 H375 F377 M379F298-Q301 WeakPolarHBondContact O-CG 3.33Å; F298-H375 HydrophobicContact CD1-CB 3.82Å; F298-H375 HydrophobicContact CE1-CB 4.07Å; F298-H375 AromaticContact CE1-CG 3.98Å; F298-F377 WeakPolarHBondContact CB-O 3.28Å; F298-F377 AromaticContact CD1-CD2 3.89Å; F298-F377 HydrophobicContact CD1-CD2 3.89Å; F298-F377 AromaticContact CD1-CE2 3.47Å; F298-F377 HydrophobicContact CD1-CE2 3.47Å; F298-F377 VanDerWaalsContact CD1-CE2 3.47Å; F298-F377 HydrophobicContact CD1-CZ 4.05Å; F298-F377 HydrophobicContact CE1-CD2 4.3Å; F298-F377 AromaticContact CE1-CE2 3.42Å; F298-F377 HydrophobicContact CE1-CE2 3.42Å; F298-F377 VanDerWaalsContact CE1-CE2 3.42Å; F298-F377 AromaticContact CE1-CZ 3.7Å; F298-F377 HydrophobicContact CE1-CZ 3.7Å; F298-M379 HydrophobicContact CB-CB 4.24Å; F298-M379 HydrophobicContact CD2-CB 4.08Å; F298-M379 HydrophobicContact CD2-CG 4.09Å; F298-M379 HydrophobicContact CE2-CG 4.46Å; F298-M379 HydrophobicContact CG-CB 4.19Å
299L91.8Very high88.2Confident47 Ų4768 Ų6825%0.24635%0.348CS..EExtended strand (participates in β ladder)trans-60.4150.4176.5-64.5-178.4000111.6Q301 V374 H375 F377 T378L299-Q301 PolarHBondContact O-N 3.03Å; L299-V374 HydrophobicContact CD2-CG1 4.03Å; L299-H375 WeakPolarHBondContact CG-O 3.35Å; L299-F377 PolarHBondContact N-O 2.91Å; L299-T378 HydrophobicContact CB-CG2 3.95Å
300E88.3Confident88.9Confident152 Ų15265.3 Ų65.371%0.7133%0.328SS*.THydrogen-bonded Turntrans65.6-7.1174.4-53.9-174.9151.700116V347 T378E300-V347 PolarHBondContact N-O 3.25Å; E300-T378 HydrophobicContact CB-CG2 4.33Å; E300-T378 HydrophobicContact CG-CG2 4.12Å
301Q90.7Very high89.4Confident49 Ų4965.2 Ų65.223%0.22933%0.328CS..  trans-69.7165.1175.687.2-175.919.200112.2A297 F298 L299 V347A297-Q301 VanDerWaalsContact CB-NE2 3.29Å; F298-Q301 WeakPolarHBondContact O-CG 3.33Å; L299-Q301 PolarHBondContact O-N 3.03Å; Q301-V347 HydrophobicContact CG-CB 4.29Å; Q301-V347 HydrophobicContact CG-CG2 4.07Å; Q301-V347 WeakPolarHBondContact O-CG2 3.35Å; Q301-V347 PolarHBondContact O-N 3.08Å
302T92.1Very high89.9Confident77 Ų7762.4 Ų62.447%0.47231%0.313SS..  trans-101122.3164.8-66.30000109Q343 I344 S345T302-Q343 HydrophobicContact CG2-CG 3.97Å; T302-I344 WeakPolarHBondContact CA-O 3.43Å; T302-S345 PolarHBondContact OG1-OG 3.04Å
303L93.6Very high90.4Very high19 Ų1963.2 Ų63.210%0.09932%0.322CS..EExtended strand (participates in β ladder)trans-107.4150.5178.4-176.464.5000110.4A297 L305 Q343 I344 V347 L372A297-L303 HydrophobicContact CB-CD2 4.09Å; L303-L305 HydrophobicContact CD2-CD2 3.69Å; L303-L305 HydrophobicContact CD2-CG 4.29Å; L303-L305 HydrophobicContact CG-CD2 4.02Å; L303-L305 HydrophobicContact CG-CG 4.5Å; L303-Q343 CarbonylContact O-C 3.56Å; L303-Q343 WeakPolarHBondContact O-CA 3.38Å; L303-I344 HydrophobicContact CB-CB 4.47Å; L303-I344 HydrophobicContact CD2-CD1 4.49Å; L303-I344 PolarHBondContact N-O 3.22Å; L303-I344 PolarHBondContact O-N 3.23Å; L303-V347 HydrophobicContact CB-CG2 3.74Å; L303-L372 HydrophobicContact CD2-CD1 3.46Å; L303-L372 VanDerWaalsContact CD2-CD1 3.46Å; L303-L372 HydrophobicContact CD2-CD2 3.65Å; L303-L372 HydrophobicContact CD2-CG 4.23Å
304I94.1Very high91Very high91 Ų9155.3 Ų55.347%0.46729%0.285SS..EExtended strand (participates in β ladder)trans-130.1105.9171.9-57.9177000108.4L337 N341 L342 Q343I304-L337 HydrophobicContact CD1-CD1 4.31Å; I304-L337 HydrophobicContact CG2-CD1 4.12Å; I304-N341 HydrophobicContact CG2-CB 3.95Å; I304-L342 CarbonylContact C-O 3.58Å; I304-L342 WeakPolarHBondContact CA-O 3.35Å; I304-Q343 HydrophobicContact CG1-CG 4.36Å
305L93.6Very high91.5Very high1 Ų159.2 Ų59.21%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-79.8125.5174-58.6-176.8000109.6E295 L303 W318 N341 L342 I344 Y355 I370E295-L305 HydrophobicContact CB-CD2 4.32Å; E295-L305 HydrophobicContact CG-CD2 4.09Å; L303-L305 HydrophobicContact CD2-CD2 3.69Å; L303-L305 HydrophobicContact CD2-CG 4.29Å; L303-L305 HydrophobicContact CG-CD2 4.02Å; L303-L305 HydrophobicContact CG-CG 4.5Å; L305-W318 HydrophobicContact CB-CH2 3.67Å; L305-W318 HydrophobicContact CB-CZ2 4.47Å; L305-W318 HydrophobicContact CB-CZ3 4.09Å; L305-W318 HydrophobicContact CD1-CZ3 4.37Å; L305-W318 WeakPolarHBondContact O-CZ2 3.38Å; L305-N341 WeakPolarHBondContact O-CB 3.34Å; L305-L342 HydrophobicContact CB-CB 4.42Å; L305-L342 PolarHBondContact N-O 3.27Å; L305-L342 PolarHBondContact O-N 3.18Å; L305-I344 HydrophobicContact CD1-CD1 4.04Å; L305-I344 HydrophobicContact CG-CD1 4.35Å; L305-Y355 HydrophobicContact CD1-CD1 3.88Å; L305-Y355 HydrophobicContact CD1-CD2 3.83Å; L305-Y355 HydrophobicContact CD1-CE1 4.33Å; L305-Y355 HydrophobicContact CD1-CE2 4.33Å; L305-Y355 HydrophobicContact CD1-CG 3.62Å; L305-I370 HydrophobicContact CB-CD1 4.34Å; L305-I370 HydrophobicContact CD1-CG2 4.46Å; L305-I370 HydrophobicContact CD2-CG2 4.21Å
306S92.2Very high91.7Very high61 Ų6156.7 Ų56.743%0.42728%0.282SS..  trans-92.2127.7-178.4-1670000111.6D308 N341 I370S306-D308 PolarHBondContact O-N 2.89Å; S306-N341 PolarHBondContact OG-ND2 3.39Å; S306-I370 WeakPolarHBondContact O-CD1 3.4Å
307C92.9Very high91.7Very high1 Ų154.3 Ų54.31%0.00728%0.275CS..  trans-95.886.8170.3-1790000109T309 K316 W318 N341 C357C307-T309 PolarHBondContact O-N 3.04Å; C307-K316 HydrophobicContact CB-CD 4.02Å; C307-K316 WeakPolarHBondContact O-CE 3.33Å; C307-K316 PolarHBondContact O-NZ 3.5Å; C307-W318 HydrophobicContact CB-CH2 4.14Å; C307-W318 HydrophobicContact CB-CZ2 3.52Å; C307-N341 PolarHBondContact N-OD1 3.19Å; C307-C357 HydrophobicContact CB-CB 3.67Å; C307-C357 WeakPolarHBondContact CB-SG 3.15Å; C307-C357 WeakPolarHBondContact SG-CB 3.2Å; C307-C357 CovalentContact SG-SG 2.03Å; C307-C357 PolarHBondContact SG-SG 3.07Å
308D92.4Very high91.8Very high43 Ų4354.4 Ų54.423%0.2328%0.275CS..  trans-8793.3-174.7-17636.3000111.7P223 A224 R253 S306 I368P223-D308 WeakPolarHBondContact CA-OD1 3.35Å; P223-D308 VanDerWaalsContact CB-OD1 3.26Å; P223-D308 WeakPolarHBondContact CB-OD1 3.3Å; A224-D308 WeakPolarHBondContact CB-O 3.4Å; A224-D308 WeakPolarHBondContact CB-OD2 3.5Å; A224-D308 PolarHBondContact N-OD1 3.1Å; A224-D308 PolarHBondContact N-OD2 2.91Å; R253-D308 PolarHBondContact NH1-O 3.4Å; R253-D308 PolarHBondContact NH2-O 3.26Å; S306-D308 PolarHBondContact O-N 2.89Å; D308-I368 WeakPolarHBondContact O-CD1 3.39Å
309T93.4Very high91.8Very high4 Ų452.2 Ų52.23%0.02527%0.266CS..  trans-90.3151.5-170.350.70000113.8W225 C307 H311 M314 A359 E366 I368W225-T309 WeakPolarHBondContact CB-O 3.4Å; W225-T309 PolarHBondContact N-O 3.07Å; C307-T309 PolarHBondContact O-N 3.04Å; T309-H311 VanDerWaalsContact C-N 3.26Å; T309-H311 PolarHBondContact O-N 2.89Å; T309-H311 PolarHBondContact OG1-O 2.67Å; T309-M314 HydrophobicContact CG2-SD 4.02Å; T309-A359 HydrophobicContact CG2-CB 3.43Å; T309-A359 VanDerWaalsContact CG2-CB 3.43Å; T309-E366 VanDerWaalsContact CA-OE2 3.32Å; T309-E366 WeakPolarHBondContact CA-OE2 3.32Å; T309-I368 HydrophobicContact CG2-CD1 4.19Å
310K92Very high91.9Very high34 Ų3451.9 Ų51.915%0.14826%0.264CS..SBendtrans-69.4-19.3177.4-63.2177.9-158.5-175.70115.1W225 N228 R253 K254 L255 E366W225-K310 VanDerWaalsContact CA-O 3.23Å; W225-K310 WeakPolarHBondContact CA-O 3.35Å; W225-K310 VanDerWaalsContact CB-O 3.28Å; W225-K310 WeakPolarHBondContact CB-O 3.17Å; N228-K310 HydrophobicContact CB-CB 4.44Å; N228-K310 PolarHBondContact ND2-O 2.82Å; R253-K310 WeakPolarHBondContact O-CE 3.27Å; R253-K310 PolarHBondContact O-NZ 3.36Å; K254-K310 WeakPolarHBondContact O-CE 3.11Å; K254-K310 PolarHBondContact O-NZ 3.37Å; L255-K310 HydrophobicContact CD2-CD 4.11Å; L255-K310 HydrophobicContact CD2-CG 3.68Å; K310-E366 VanDerWaalsContact CE-OE1 3.24Å; K310-E366 WeakPolarHBondContact CE-OE1 3.33Å; K310-E366 WeakPolarHBondContact CG-OE2 3.4Å; K310-E366 PolarHBondContact N-OE2 3.32Å
311H90.4Very high92Very high48 Ų4846.6 Ų46.622%0.22224%0.243CC..SBendtrans-118.8146.6175.9-52.9-91.5000108.7T309 M314 F364T309-H311 VanDerWaalsContact C-N 3.26Å; T309-H311 PolarHBondContact O-N 2.89Å; T309-H311 PolarHBondContact OG1-O 2.67Å; H311-M314 HydrophobicContact CB-CG 3.93Å; H311-M314 HydrophobicContact CB-SD 3.8Å; H311-F364 AromaticContact CD2-CG 3.96Å; H311-F364 AromaticContact CE1-CD1 3.73Å; H311-F364 AromaticContact CE1-CD2 3.84Å; H311-F364 AromaticContact CE1-CE1 3.77Å; H311-F364 AromaticContact CE1-CE2 3.87Å; H311-F364 AromaticContact CE1-CG 3.77Å; H311-F364 AromaticContact CE1-CZ 3.84Å; H311-F364 AromaticContact ND1-CD2 3.79Å; H311-F364 AromaticContact ND1-CE2 3.88Å; H311-F364 AromaticContact NE2-CD1 3.68Å; H311-F364 AromaticContact NE2-CG 3.7Å
312R87.3Confident91.7Very high101 Ų10147.8 Ų47.838%0.38127%0.268SS..THydrogen-bonded Turntrans-71.5155175.2-155.7-175.8134.3163.6-5.7109.4E199 N200 W225 M314E199-R312 PolarHBondContact O-NH1 2.9Å; E199-R312 VanDerWaalsContact O-NH1 3.1Å; N200-R312 PolarHBondContact OD1-NH1 3.26Å; W225-R312 HydrophobicContact CD2-CB 4.24Å; W225-R312 HydrophobicContact CD2-CG 4.26Å; W225-R312 HydrophobicContact CE3-CB 4.48Å; W225-R312 HydrophobicContact CG-CB 4.41Å; W225-R312 HydrophobicContact CZ2-CG 4.3Å; R312-M314 PolarHBondContact O-N 3.28Å
313D87.1Confident91.4Very high134 Ų13450 Ų5072%0.71728%0.277SS*.THydrogen-bonded Turntrans55.226.4167.2-51.2-36.2000116.3
314M90.9Very high91.1Very high12 Ų1253.3 Ų53.36%0.05930%0.298CS..  trans-69.9141.8171.5-59.7-176.58200111.7T309 H311 R312 A359 F364 E366T309-M314 HydrophobicContact CG2-SD 4.02Å; H311-M314 HydrophobicContact CB-CG 3.93Å; H311-M314 HydrophobicContact CB-SD 3.8Å; R312-M314 PolarHBondContact O-N 3.28Å; M314-A359 HydrophobicContact CB-CB 4.22Å; M314-A359 HydrophobicContact CE-CB 4Å; M314-A359 HydrophobicContact SD-CB 4.06Å; M314-F364 HydrophobicContact CE-CB 4.16Å; M314-F364 WeakPolarHBondContact CE-O 3.48Å; M314-E366 HydrophobicContact CE-CB 4.45Å
315M91.6Very high90.9Very high120 Ų12054.1 Ų54.159%0.59130%0.303SS*.EExtended strand (participates in β ladder)trans-71.7128170-176.6173.76800109.7A359 M360M315-A359 CarbonylContact O-C 3.55Å; M315-A359 WeakPolarHBondContact O-CA 3.48Å; M315-M360 HydrophobicContact CB-CG 4.26Å; M315-M360 HydrophobicContact CE-CG 3.69Å; M315-M360 HydrophobicContact CE-SD 3.48Å; M315-M360 WeakPolarHBondContact CE-SD 3.38Å; M315-M360 PolarHBondContact N-O 2.95Å; M315-M360 PolarHBondContact O-N 2.75Å
316K93.2Very high90.6Very high46 Ų4655.1 Ų55.120%0.231%0.309CS..EExtended strand (participates in β ladder)trans-115.8132.3-173.6-65.4166-176-174.90111C307 A359C307-K316 HydrophobicContact CB-CD 4.02Å; C307-K316 WeakPolarHBondContact O-CE 3.33Å; C307-K316 PolarHBondContact O-NZ 3.5Å; K316-A359 HydrophobicContact CG-CB 4.31Å
317T93.1Very high90Very high53 Ų5356.1 Ų56.133%0.32531%0.313SS..EExtended strand (participates in β ladder)trans-129.8153.1172.358.20000109.6C357 F358T317-C357 CarbonylContact O-C 3.47Å; T317-C357 WeakPolarHBondContact O-CA 3.35Å; T317-F358 PolarHBondContact N-O 2.97Å; T317-F358 PolarHBondContact O-N 2.94Å; T317-F358 PolarHBondContact OG1-O 3.32Å
318W94.4Very high88.9Confident2 Ų262.6 Ų62.61%0.00836%0.358CS..EExtended strand (participates in β ladder)trans-125.9143.2-171.8-73.886.6000112.1L305 C307 V326 V336 G340 L342 T356 C357 I370L305-W318 HydrophobicContact CB-CH2 3.67Å; L305-W318 HydrophobicContact CB-CZ2 4.47Å; L305-W318 HydrophobicContact CB-CZ3 4.09Å; L305-W318 HydrophobicContact CD1-CZ3 4.37Å; L305-W318 WeakPolarHBondContact O-CZ2 3.38Å; C307-W318 HydrophobicContact CB-CH2 4.14Å; C307-W318 HydrophobicContact CB-CZ2 3.52Å; W318-V326 HydrophobicContact CB-CB 4.32Å; W318-V326 HydrophobicContact CB-CG2 3.95Å; W318-V326 PolarHBondContact O-N 3.31Å; W318-V336 HydrophobicContact CB-CG2 4.39Å; W318-V336 HydrophobicContact CG-CG2 4.41Å; W318-G340 PolarHBondContact NE1-O 3.14Å; W318-L342 HydrophobicContact CB-CD1 4.26Å; W318-L342 HydrophobicContact CB-CD2 4.43Å; W318-L342 HydrophobicContact CD2-CB 3.67Å; W318-L342 HydrophobicContact CD2-CD2 4.13Å; W318-L342 HydrophobicContact CD2-CG 4.37Å; W318-L342 HydrophobicContact CE3-CB 4.02Å; W318-L342 HydrophobicContact CE3-CD2 3.92Å; W318-L342 HydrophobicContact CG-CB 4.06Å; W318-L342 HydrophobicContact CG-CD1 4.24Å; W318-L342 HydrophobicContact CG-CD2 4.39Å; W318-L342 HydrophobicContact CG-CG 4.48Å; W318-L342 HydrophobicContact CH2-CB 4.17Å; W318-L342 HydrophobicContact CZ2-CB 3.83Å; W318-L342 HydrophobicContact CZ3-CB 4.26Å; W318-L342 HydrophobicContact CZ3-CD2 4.45Å; W318-T356 CarbonylContact C-O 3.35Å; W318-T356 WeakPolarHBondContact CA-O 3.31Å; W318-C357 HydrophobicContact CD2-CB 4.01Å; W318-C357 HydrophobicContact CE3-CB 4.01Å; W318-C357 HydrophobicContact CH2-CB 4.12Å; W318-C357 HydrophobicContact CZ2-CB 4.1Å; W318-C357 HydrophobicContact CZ3-CB 4.06Å; W318-I370 HydrophobicContact CH2-CD1 3.72Å; W318-I370 HydrophobicContact CZ3-CD1 4Å
319A93.7Very high87.5Confident1 Ų162.2 Ų62.21%0.00836%0.364CS..EExtended strand (participates in β ladder)trans-117.9138.4163.600000110.9V324 L325 T356 F358A319-V324 CarbonylContact C-O 3.47Å; A319-V324 WeakPolarHBondContact CA-O 3.49Å; A319-L325 HydrophobicContact CB-CD2 4.34Å; A319-T356 PolarHBondContact N-O 2.86Å; A319-T356 PolarHBondContact O-N 2.98Å; A319-F358 HydrophobicContact CB-CE2 3.98Å
320L92.1Very high85.8Confident40 Ų4068.3 Ų68.321%0.20940%0.396CS..EExtended strand (participates in β ladder)trans-73.8166.9172.3-56.8177.3000110.8G322 N323 V324 V326 A334 L342 Y355L320-G322 PolarHBondContact O-N 2.98Å; L320-N323 PolarHBondContact O-N 3.43Å; L320-V324 HydrophobicContact CB-CB 4.35Å; L320-V324 PolarHBondContact N-O 3.3Å; L320-V326 HydrophobicContact CD1-CG2 4.47Å; L320-V326 HydrophobicContact CD2-CG2 3.65Å; L320-V326 HydrophobicContact CG-CG2 3.77Å; L320-A334 HydrophobicContact CD2-CB 3.73Å; L320-L342 HydrophobicContact CD2-CD2 4.45Å; L320-Y355 HydrophobicContact CD2-CD1 4.15Å; L320-Y355 HydrophobicContact CD2-CE1 3.55Å
321P90.5Very high84.3Confident41 Ų4174.8 Ų74.827%0.26643%0.433SS..THydrogen-bonded Turntrans-46.3132.7165.5-29.136.5000111.7Y355P321-Y355 HydrophobicContact CG-CD2 4.13Å; P321-Y355 HydrophobicContact CG-CE2 3.73Å
322G85.1Confident83.5Confident74 Ų7476.2 Ų76.276%0.76344%0.439SS*.THydrogen-bonded Turntrans84.411.8-171.400000115.4L320 V324L320-G322 PolarHBondContact O-N 2.98Å; G322-V324 VanDerWaalsContact C-N 3.3Å; G322-V324 PolarHBondContact O-N 2.93Å
323N85.4Confident83.3Confident124 Ų12473.6 Ų73.666%0.66344%0.435SS*.THydrogen-bonded Turntrans63.824.5177.5-62.2-25.2000115.3L320 L325L320-N323 PolarHBondContact O-N 3.43Å; N323-L325 PolarHBondContact O-N 3.35Å
324V87.9Confident83.4Confident89 Ų8967.4 Ų67.454%0.53940%0.402SS..EExtended strand (participates in β ladder)trans-77.3116175-177.90000109.5A319 L320 G322 V326A319-V324 CarbonylContact C-O 3.47Å; A319-V324 WeakPolarHBondContact CA-O 3.49Å; L320-V324 HydrophobicContact CB-CB 4.35Å; L320-V324 PolarHBondContact N-O 3.3Å; G322-V324 VanDerWaalsContact C-N 3.3Å; G322-V324 PolarHBondContact O-N 2.93Å; V324-V326 PolarHBondContact O-N 2.91Å
325L89.6Confident83.4Confident108 Ų10871.7 Ų71.757%0.56542%0.42SS*.EExtended strand (participates in β ladder)trans-65.8129.9178.5-73.1167.5000111.7A319 N323A319-L325 HydrophobicContact CB-CD2 4.34Å; N323-L325 PolarHBondContact O-N 3.35Å
326V86.9Confident83.3Confident21 Ų2168.3 Ų68.313%0.12741%0.406CS..PPolyproline II helixtrans-70.2130174.1-1770000109W318 L320 V324 V336 L342W318-V326 HydrophobicContact CB-CB 4.32Å; W318-V326 HydrophobicContact CB-CG2 3.95Å; W318-V326 PolarHBondContact O-N 3.31Å; L320-V326 HydrophobicContact CD1-CG2 4.47Å; L320-V326 HydrophobicContact CD2-CG2 3.65Å; L320-V326 HydrophobicContact CG-CG2 3.77Å; V324-V326 PolarHBondContact O-N 2.91Å; V326-V336 HydrophobicContact CB-CG2 4.27Å; V326-V336 HydrophobicContact CG1-CG2 3.91Å; V326-L342 HydrophobicContact CB-CD1 4.5Å; V326-L342 HydrophobicContact CG1-CD1 4.11Å; V326-L342 HydrophobicContact CG2-CD1 4Å
327T80.5Confident83.2Confident83 Ų8368 Ų6851%0.50941%0.407SS..  trans-119.2148.7-177.541.30000110.6G329 Q332T327-G329 PolarHBondContact O-N 3.27Å; T327-Q332 PolarHBondContact O-OE1 3.48Å; T327-Q332 PolarHBondContact OG1-NE2 2.84Å
328S68.4Low83Confident137 Ų13772.3 Ų72.396%0.95844%0.435SS*.SBendtrans-75.461.5-173.9-52.90000113.4
329G64.4Low82.6Confident34 Ų3476.8 Ų76.835%0.35146%0.459SS..  trans-118.2137.8173.300000111.8T327 N331T327-G329 PolarHBondContact O-N 3.27Å; G329-N331 PolarHBondContact O-N 2.93Å; G329-N331 VanDerWaalsContact O-N 3.14Å
330D57.1Low82.4Confident132 Ų13277.2 Ų77.271%0.70646%0.464SS*.THydrogen-bonded Turntrans-72.1-6.5-170.1-67.9-59.1000115.9K335D330-K335 IonicContact OD1-NZ 2.65Å; D330-K335 PolarHBondContact OD1-NZ 3.4Å
331N60.1Low82.4Confident171 Ų17176.4 Ų76.491%0.91446%0.46SS*.THydrogen-bonded Turntrans-99.722.2-178.4-67.7-14.1000113.8G329G329-N331 PolarHBondContact O-N 2.93Å; G329-N331 VanDerWaalsContact O-N 3.14Å
332Q74.4Confident82.6Confident78 Ų7874.5 Ų74.536%0.36445%0.447SS..  trans-106.7139.9178.5-65.1-179.420.300111T327 A334T327-Q332 PolarHBondContact O-OE1 3.48Å; T327-Q332 PolarHBondContact OG1-NE2 2.84Å; Q332-A334 WeakPolarHBondContact CB-O 3.32Å; Q332-A334 PolarHBondContact O-N 2.91Å
333T83.4Confident83Confident46 Ų4673.8 Ų73.828%0.28242%0.424SS..SBendtrans-65.6-24174.848.10000112.5I344 S345T333-I344 CarbonylContact O-C 3.54Å; T333-I344 WeakPolarHBondContact O-CA 3.22Å; T333-S345 PolarHBondContact O-N 3.31Å
334A88.4Confident83.3Confident3 Ų367.9 Ų67.93%0.02539%0.393CS..EExtended strand (participates in β ladder)trans-110126.617600000110.4L320 Q332 L342 Q343 I344L320-A334 HydrophobicContact CD2-CB 3.73Å; Q332-A334 WeakPolarHBondContact CB-O 3.32Å; Q332-A334 PolarHBondContact O-N 2.91Å; A334-L342 HydrophobicContact CB-CD1 4.15Å; A334-L342 HydrophobicContact CB-CD2 4.46Å; A334-L342 HydrophobicContact CB-CG 4.46Å; A334-Q343 CarbonylContact C-O 3.42Å; A334-Q343 VanDerWaalsContact CA-O 3.29Å; A334-Q343 WeakPolarHBondContact CA-O 3.45Å; A334-I344 HydrophobicContact CB-CG1 4.39Å
335K90.8Very high83.5Confident102 Ų10266 Ų6644%0.44338%0.384SS..EExtended strand (participates in β ladder)trans-134.2128.7-177-175.3163.1-178.2165.70110.8D330 Q343D330-K335 IonicContact OD1-NZ 2.65Å; D330-K335 PolarHBondContact OD1-NZ 3.4Å; K335-Q343 PolarHBondContact N-O 2.89Å; K335-Q343 PolarHBondContact O-N 3.39Å
336V90.9Very high83.6Confident49 Ų4963.8 Ų63.830%0.29738%0.375SS..EExtended strand (participates in β ladder)trans-75.8125.8174.3-173.50000109.1W318 V326 L342W318-V336 HydrophobicContact CB-CG2 4.39Å; W318-V336 HydrophobicContact CG-CG2 4.41Å; V326-V336 HydrophobicContact CB-CG2 4.27Å; V326-V336 HydrophobicContact CG1-CG2 3.91Å; V336-L342 HydrophobicContact CG2-CD1 3.92Å
337L91.1Very high83.9Confident41 Ų4163 Ų6322%0.21537%0.37CS..  trans-79.9160.9177.9-66.9176000111.4I304 N339 G340 N341 Q343I304-L337 HydrophobicContact CD1-CD1 4.31Å; I304-L337 HydrophobicContact CG2-CD1 4.12Å; L337-N339 VanDerWaalsContact CB-OD1 3.24Å; L337-N339 WeakPolarHBondContact CB-OD1 3.31Å; L337-N339 PolarHBondContact O-N 2.71Å; L337-G340 WeakPolarHBondContact O-CA 3.39Å; L337-G340 PolarHBondContact O-N 3.11Å; L337-N341 WeakPolarHBondContact CB-O 3.46Å; L337-N341 PolarHBondContact N-O 2.93Å; L337-Q343 HydrophobicContact CD1-CB 4.18Å; L337-Q343 HydrophobicContact CD2-CB 4.16Å; L337-Q343 HydrophobicContact CG-CB 4.03Å
338P88.1Confident84.4Confident142 Ų14265.6 Ų65.692%0.92237%0.371SS*.THydrogen-bonded Turntrans-60.1-17.1179.2-26.235.9000115.7G340P338-G340 VanDerWaalsContact C-N 3.34Å
339N86.4Confident85.5Confident97 Ų9765.9 Ų65.952%0.51935%0.352SS..THydrogen-bonded Turntrans-89.23.117364.50.1000113.6L337 N341L337-N339 VanDerWaalsContact CB-OD1 3.24Å; L337-N339 WeakPolarHBondContact CB-OD1 3.31Å; L337-N339 PolarHBondContact O-N 2.71Å; N339-N341 VanDerWaalsContact C-N 3.34Å; N339-N341 PolarHBondContact O-N 3.05Å; N339-N341 WeakPolarHBondContact OD1-CB 3.45Å; N339-N341 PolarHBondContact OD1-N 2.83Å; N339-N341 VanDerWaalsContact OD1-N 3.11Å
340G88.9Confident86.7Confident10 Ų1070.7 Ų70.710%0.10337%0.37CS..SBendtrans76.410.7-179.100000115.5W318 L337 P338W318-G340 PolarHBondContact NE1-O 3.14Å; L337-G340 WeakPolarHBondContact O-CA 3.39Å; L337-G340 PolarHBondContact O-N 3.11Å; P338-G340 VanDerWaalsContact C-N 3.34Å
341N92.8Very high88.2Confident23 Ų2365.4 Ų65.412%0.12334%0.341CS..PPolyproline II helixtrans-83.7155.5169.2-73.31.6000110.9I304 L305 S306 C307 L337 N339I304-N341 HydrophobicContact CG2-CB 3.95Å; L305-N341 WeakPolarHBondContact O-CB 3.34Å; S306-N341 PolarHBondContact OG-ND2 3.39Å; C307-N341 PolarHBondContact N-OD1 3.19Å; L337-N341 WeakPolarHBondContact CB-O 3.46Å; L337-N341 PolarHBondContact N-O 2.93Å; N339-N341 VanDerWaalsContact C-N 3.34Å; N339-N341 PolarHBondContact O-N 3.05Å; N339-N341 WeakPolarHBondContact OD1-CB 3.45Å; N339-N341 PolarHBondContact OD1-N 2.83Å; N339-N341 VanDerWaalsContact OD1-N 3.11Å
342L93.5Very high89.8Confident0 Ų059.8 Ų59.80%032%0.315CS..EExtended strand (participates in β ladder)trans-98.7117.1179.5-172.670.3000110.5I304 L305 W318 L320 V326 A334 V336 I344 Y355I304-L342 CarbonylContact C-O 3.58Å; I304-L342 WeakPolarHBondContact CA-O 3.35Å; L305-L342 HydrophobicContact CB-CB 4.42Å; L305-L342 PolarHBondContact N-O 3.27Å; L305-L342 PolarHBondContact O-N 3.18Å; W318-L342 HydrophobicContact CB-CD1 4.26Å; W318-L342 HydrophobicContact CB-CD2 4.43Å; W318-L342 HydrophobicContact CD2-CB 3.67Å; W318-L342 HydrophobicContact CD2-CD2 4.13Å; W318-L342 HydrophobicContact CD2-CG 4.37Å; W318-L342 HydrophobicContact CE3-CB 4.02Å; W318-L342 HydrophobicContact CE3-CD2 3.92Å; W318-L342 HydrophobicContact CG-CB 4.06Å; W318-L342 HydrophobicContact CG-CD1 4.24Å; W318-L342 HydrophobicContact CG-CD2 4.39Å; W318-L342 HydrophobicContact CG-CG 4.48Å; W318-L342 HydrophobicContact CH2-CB 4.17Å; W318-L342 HydrophobicContact CZ2-CB 3.83Å; W318-L342 HydrophobicContact CZ3-CB 4.26Å; W318-L342 HydrophobicContact CZ3-CD2 4.45Å; L320-L342 HydrophobicContact CD2-CD2 4.45Å; V326-L342 HydrophobicContact CB-CD1 4.5Å; V326-L342 HydrophobicContact CG1-CD1 4.11Å; V326-L342 HydrophobicContact CG2-CD1 4Å; A334-L342 HydrophobicContact CB-CD1 4.15Å; A334-L342 HydrophobicContact CB-CD2 4.46Å; A334-L342 HydrophobicContact CB-CG 4.46Å; V336-L342 HydrophobicContact CG2-CD1 3.92Å; L342-I344 HydrophobicContact CD2-CD1 4.5Å; L342-I344 HydrophobicContact CD2-CG1 4.38Å; L342-I344 HydrophobicContact CG-CG1 4.39Å; L342-Y355 HydrophobicContact CD2-CD1 3.54Å; L342-Y355 HydrophobicContact CD2-CE1 3.73Å
343Q93.8Very high90.7Very high60 Ų6057.1 Ų57.128%0.2831%0.309SS..EExtended strand (participates in β ladder)trans-87.2136.5168.6-174.217723.900109.6T302 L303 I304 A334 K335 L337T302-Q343 HydrophobicContact CG2-CG 3.97Å; L303-Q343 CarbonylContact O-C 3.56Å; L303-Q343 WeakPolarHBondContact O-CA 3.38Å; I304-Q343 HydrophobicContact CG1-CG 4.36Å; A334-Q343 CarbonylContact C-O 3.42Å; A334-Q343 VanDerWaalsContact CA-O 3.29Å; A334-Q343 WeakPolarHBondContact CA-O 3.45Å; K335-Q343 PolarHBondContact N-O 2.89Å; K335-Q343 PolarHBondContact O-N 3.39Å; L337-Q343 HydrophobicContact CD1-CB 4.18Å; L337-Q343 HydrophobicContact CD2-CB 4.16Å; L337-Q343 HydrophobicContact CG-CB 4.03Å
344I92.8Very high91.2Very high0 Ų058 Ų580%032%0.315CS..EExtended strand (participates in β ladder)trans-122.4122.7172.5-51.8173.1000107.7T302 L303 L305 T333 A334 L342 V347 Y355 L372T302-I344 WeakPolarHBondContact CA-O 3.43Å; L303-I344 HydrophobicContact CB-CB 4.47Å; L303-I344 HydrophobicContact CD2-CD1 4.49Å; L303-I344 PolarHBondContact N-O 3.22Å; L303-I344 PolarHBondContact O-N 3.23Å; L305-I344 HydrophobicContact CD1-CD1 4.04Å; L305-I344 HydrophobicContact CG-CD1 4.35Å; T333-I344 CarbonylContact O-C 3.54Å; T333-I344 WeakPolarHBondContact O-CA 3.22Å; A334-I344 HydrophobicContact CB-CG1 4.39Å; L342-I344 HydrophobicContact CD2-CD1 4.5Å; L342-I344 HydrophobicContact CD2-CG1 4.38Å; L342-I344 HydrophobicContact CG-CG1 4.39Å; I344-V347 HydrophobicContact CB-CG2 4.17Å; I344-V347 HydrophobicContact CG2-CG2 3.92Å; I344-Y355 HydrophobicContact CD1-CE1 3.69Å; I344-Y355 HydrophobicContact CD1-CE2 4.36Å; I344-Y355 WeakPolarHBondContact CD1-OH 3.32Å; I344-L372 HydrophobicContact CD1-CD2 3.93Å
345S91.8Very high91.5Very high50 Ų5058 Ų5835%0.3531%0.314SS..SBendtrans-158.3131.1-177.5-166.40000112.6T302 T333T302-S345 PolarHBondContact OG1-OG 3.04Å; T333-S345 PolarHBondContact O-N 3.31Å
346P91.6Very high91.7Very high61 Ų6153.3 Ų53.340%0.39629%0.294SS..SBendcis-70.5143.6-20.131.1-33.5000110.7
347V92.4Very high91.9Very high3 Ų351 Ų512%0.01828%0.28CS..  trans-66.2134.1174.7172.70000111.2A297 E300 Q301 L303 I344 V374A297-V347 HydrophobicContact CB-CG1 4.22Å; E300-V347 PolarHBondContact N-O 3.25Å; Q301-V347 HydrophobicContact CG-CB 4.29Å; Q301-V347 HydrophobicContact CG-CG2 4.07Å; Q301-V347 WeakPolarHBondContact O-CG2 3.35Å; Q301-V347 PolarHBondContact O-N 3.08Å; L303-V347 HydrophobicContact CB-CG2 3.74Å; I344-V347 HydrophobicContact CB-CG2 4.17Å; I344-V347 HydrophobicContact CG2-CG2 3.92Å; V347-V374 HydrophobicContact CG1-CB 4.46Å; V347-V374 HydrophobicContact CG1-CG1 3.74Å; V347-V374 HydrophobicContact CG1-CG2 3.81Å
348R92Very high92.1Very high138 Ų13852.4 Ų52.452%0.52128%0.284SS..  trans-119.1160.7179-59.2178.7178.5-175.8-0.8111D350 D351 V374R348-D350 PolarHBondContact O-N 2.92Å; R348-D351 WeakPolarHBondContact CB-OD2 3.2Å; R348-D351 PolarHBondContact N-OD2 3.2Å; R348-D351 WeakPolarHBondContact O-CB 3.3Å; R348-D351 PolarHBondContact O-N 3.4Å; R348-D351 VanDerWaalsContact O-N 3.09Å; R348-V374 WeakPolarHBondContact O-CG1 3.41Å
349Y89.9Confident92.4Very high144 Ų14445.8 Ų45.857%0.56524%0.241SC*.G310 helixtrans-56.6-39.7175.5-177.1-105.8000112.7D351 S352 N376Y349-D351 PolarHBondContact O-N 3.06Å; Y349-S352 WeakPolarHBondContact O-CB 3.27Å; Y349-S352 PolarHBondContact O-N 2.89Å; Y349-S352 VanDerWaalsContact O-N 3.1Å; Y349-N376 HydrophobicContact CD2-CB 4.41Å
350D89.6Confident92.7Very high135 Ų13544.7 Ų44.772%0.72223%0.234SC*.G310 helixtrans-70.1-11.1-179.6-47.4-48.2000113.8R348 S352R348-D350 PolarHBondContact O-N 2.92Å; D350-S352 PolarHBondContact O-N 3.18Å
351D90.4Very high92.8Very high20 Ų2046.8 Ų46.811%0.10725%0.247CC..G310 helixtrans-75.6-4.3171-64.2-48.9000111.9R348 Y349 G353 Y355 V374R348-D351 WeakPolarHBondContact CB-OD2 3.2Å; R348-D351 PolarHBondContact N-OD2 3.2Å; R348-D351 WeakPolarHBondContact O-CB 3.3Å; R348-D351 PolarHBondContact O-N 3.4Å; R348-D351 VanDerWaalsContact O-N 3.09Å; Y349-D351 PolarHBondContact O-N 3.06Å; D351-G353 PolarHBondContact O-N 3.34Å; D351-Y355 WeakPolarHBondContact CB-OH 3.13Å; D351-Y355 VanDerWaalsContact O-CE2 3.28Å; D351-Y355 WeakPolarHBondContact O-CE2 3.2Å; D351-Y355 PolarHBondContact O-OH 2.93Å; D351-Y355 VanDerWaalsContact O-OH 3.05Å; D351-V374 HydrophobicContact CB-CG2 4.4Å
352S93Very high92.6Very high53 Ų5355.4 Ų55.437%0.37129%0.287SS..  trans-73.6125178.4-159.40000112.2Y349 D350 L372 K373 V374Y349-S352 WeakPolarHBondContact O-CB 3.27Å; Y349-S352 PolarHBondContact O-N 2.89Å; Y349-S352 VanDerWaalsContact O-N 3.1Å; D350-S352 PolarHBondContact O-N 3.18Å; S352-L372 CarbonylContact C-O 3.42Å; S352-L372 WeakPolarHBondContact CA-O 3.28Å; S352-L372 PolarHBondContact OG-O 2.95Å; S352-K373 WeakPolarHBondContact OG-CA 3.48Å; S352-V374 PolarHBondContact OG-N 3.22Å; S352-V374 VanDerWaalsContact OG-N 3.14Å
353G92.9Very high92.4Very high22 Ų2260 Ų6023%0.22732%0.319CS..EExtended strand (participates in β ladder)trans160.3-167.1178.900000113D351 L372D351-G353 PolarHBondContact O-N 3.34Å; G353-L372 PolarHBondContact N-O 2.83Å; G353-L372 PolarHBondContact O-N 2.92Å
354T94.3Very high92.1Very high66 Ų6662.1 Ų62.141%0.40533%0.327SS..EExtended strand (participates in β ladder)trans-91.4114.7178.5-50.10000111.1Y369 I370T354-Y369 HydrophobicContact CG2-CD1 4.29Å; T354-I370 WeakPolarHBondContact CA-O 3.32Å
355Y94.8Very high92Very high1 Ų169.1 Ų69.10%0.00437%0.365CS..EExtended strand (participates in β ladder)trans-84.9147.8167.4-70.4-103.9000109.6L305 L320 P321 L342 I344 D351 Y369 I370 L372L305-Y355 HydrophobicContact CD1-CD1 3.88Å; L305-Y355 HydrophobicContact CD1-CD2 3.83Å; L305-Y355 HydrophobicContact CD1-CE1 4.33Å; L305-Y355 HydrophobicContact CD1-CE2 4.33Å; L305-Y355 HydrophobicContact CD1-CG 3.62Å; L320-Y355 HydrophobicContact CD2-CD1 4.15Å; L320-Y355 HydrophobicContact CD2-CE1 3.55Å; P321-Y355 HydrophobicContact CG-CD2 4.13Å; P321-Y355 HydrophobicContact CG-CE2 3.73Å; L342-Y355 HydrophobicContact CD2-CD1 3.54Å; L342-Y355 HydrophobicContact CD2-CE1 3.73Å; I344-Y355 HydrophobicContact CD1-CE1 3.69Å; I344-Y355 HydrophobicContact CD1-CE2 4.36Å; I344-Y355 WeakPolarHBondContact CD1-OH 3.32Å; D351-Y355 WeakPolarHBondContact CB-OH 3.13Å; D351-Y355 VanDerWaalsContact O-CE2 3.28Å; D351-Y355 WeakPolarHBondContact O-CE2 3.2Å; D351-Y355 PolarHBondContact O-OH 2.93Å; D351-Y355 VanDerWaalsContact O-OH 3.05Å; Y355-Y369 WeakPolarHBondContact O-CA 3.46Å; Y355-I370 PolarHBondContact N-O 3.13Å; Y355-I370 PolarHBondContact O-N 3.47Å; Y355-L372 HydrophobicContact CD2-CB 3.93Å; Y355-L372 HydrophobicContact CD2-CD2 4.4Å; Y355-L372 HydrophobicContact CE2-CB 3.8Å; Y355-L372 HydrophobicContact CE2-CD2 3.64Å; Y355-L372 HydrophobicContact CE2-CG 4.32Å
356T95.3Very high92.1Very high4 Ų467.6 Ų67.63%0.02535%0.352CS..EExtended strand (participates in β ladder)trans-125.8120.1175.9-52.50000110.1W318 A319 F358 T367 I368 Y369W318-T356 CarbonylContact C-O 3.35Å; W318-T356 WeakPolarHBondContact CA-O 3.31Å; A319-T356 PolarHBondContact N-O 2.86Å; A319-T356 PolarHBondContact O-N 2.98Å; T356-F358 HydrophobicContact CG2-CD1 4.18Å; T356-F358 HydrophobicContact CG2-CD2 4.28Å; T356-F358 HydrophobicContact CG2-CE1 3.68Å; T356-F358 HydrophobicContact CG2-CE2 3.79Å; T356-F358 HydrophobicContact CG2-CG 4.46Å; T356-F358 HydrophobicContact CG2-CZ 3.46Å; T356-F358 VanDerWaalsContact CG2-CZ 3.46Å; T356-T367 HydrophobicContact CG2-CG2 3.41Å; T356-T367 VanDerWaalsContact CG2-CG2 3.41Å; T356-I368 WeakPolarHBondContact CA-O 3.41Å; T356-Y369 HydrophobicContact CG2-CD1 3.87Å; T356-Y369 HydrophobicContact CG2-CE1 3.66Å; T356-Y369 WeakPolarHBondContact OG1-CD1 3.32Å
357C95.4Very high92.2Very high0 Ų067.6 Ų67.60%035%0.351CS..EExtended strand (participates in β ladder)trans-93123.4164.8-179.90000109.4C307 T317 W318 T367 I368C307-C357 HydrophobicContact CB-CB 3.67Å; C307-C357 WeakPolarHBondContact CB-SG 3.15Å; C307-C357 WeakPolarHBondContact SG-CB 3.2Å; C307-C357 CovalentContact SG-SG 2.03Å; C307-C357 PolarHBondContact SG-SG 3.07Å; T317-C357 CarbonylContact O-C 3.47Å; T317-C357 WeakPolarHBondContact O-CA 3.35Å; W318-C357 HydrophobicContact CD2-CB 4.01Å; W318-C357 HydrophobicContact CE3-CB 4.01Å; W318-C357 HydrophobicContact CH2-CB 4.12Å; W318-C357 HydrophobicContact CZ2-CB 4.1Å; W318-C357 HydrophobicContact CZ3-CB 4.06Å; C357-T367 WeakPolarHBondContact O-CA 3.39Å; C357-I368 HydrophobicContact CB-CB 4.43Å; C357-I368 PolarHBondContact N-O 2.76Å; C357-I368 PolarHBondContact O-N 2.78Å
358F94.3Very high92.2Very high71 Ų7168.2 Ų68.231%0.31135%0.354SS..EExtended strand (participates in β ladder)trans-99.1115.5167.5-53.3-84.1000108.4T317 A319 T356 T367T317-F358 PolarHBondContact N-O 2.97Å; T317-F358 PolarHBondContact O-N 2.94Å; T317-F358 PolarHBondContact OG1-O 3.32Å; A319-F358 HydrophobicContact CB-CE2 3.98Å; T356-F358 HydrophobicContact CG2-CD1 4.18Å; T356-F358 HydrophobicContact CG2-CD2 4.28Å; T356-F358 HydrophobicContact CG2-CE1 3.68Å; T356-F358 HydrophobicContact CG2-CE2 3.79Å; T356-F358 HydrophobicContact CG2-CG 4.46Å; T356-F358 HydrophobicContact CG2-CZ 3.46Å; T356-F358 VanDerWaalsContact CG2-CZ 3.46Å; F358-T367 HydrophobicContact CD1-CG2 3.71Å; F358-T367 HydrophobicContact CE1-CG2 3.75Å
359A94.8Very high92.3Very high3 Ų368.9 Ų68.93%0.02536%0.358CS..EExtended strand (participates in β ladder)trans-108.5133.3176.500000110.1T309 M314 M315 K316 N365 E366T309-A359 HydrophobicContact CG2-CB 3.43Å; T309-A359 VanDerWaalsContact CG2-CB 3.43Å; M314-A359 HydrophobicContact CB-CB 4.22Å; M314-A359 HydrophobicContact CE-CB 4Å; M314-A359 HydrophobicContact SD-CB 4.06Å; M315-A359 CarbonylContact O-C 3.55Å; M315-A359 WeakPolarHBondContact O-CA 3.48Å; K316-A359 HydrophobicContact CG-CB 4.31Å; A359-N365 WeakPolarHBondContact O-CA 3.5Å; A359-E366 HydrophobicContact CB-CB 4.39Å; A359-E366 PolarHBondContact N-O 3.11Å; A359-E366 PolarHBondContact O-N 3.06Å; A359-E366 VanDerWaalsContact O-O 3.14Å
360M93.4Very high92.4Very high75 Ų7563 Ų6337%0.36934%0.336SS..EExtended strand (participates in β ladder)trans-141146.8-178.263.8-169.579.600112.5M315 F364M315-M360 HydrophobicContact CB-CG 4.26Å; M315-M360 HydrophobicContact CE-CG 3.69Å; M315-M360 HydrophobicContact CE-SD 3.48Å; M315-M360 WeakPolarHBondContact CE-SD 3.38Å; M315-M360 PolarHBondContact N-O 2.95Å; M315-M360 PolarHBondContact O-N 2.75Å; M360-F364 WeakPolarHBondContact CA-O 3.45Å
361S90.9Very high92.6Very high54 Ų5460.5 Ų60.538%0.37833%0.325SS..  trans-136.9-177166.768.90000109.2S363 F364S361-S363 PolarHBondContact O-N 3.15Å; S361-F364 PolarHBondContact N-O 2.86Å; S361-F364 PolarHBondContact OG-N 2.75Å; S361-F364 PolarHBondContact OG-O 2.84Å
362E88.3Confident92.8Very high203 Ų20359.6 Ų59.695%0.94932%0.32SS*.SBendtrans-58.4-27.8-179.9-59.5-176.8160.500113.6
363S88.8Confident92.8Very high97 Ų9761.7 Ų61.768%0.67832%0.323SS*.SBendtrans-124.4-12.4-172.7-48.10000114.9S361S361-S363 PolarHBondContact O-N 3.15Å
364F86.9Confident92.8Very high104 Ų10461 Ų6146%0.45631%0.314SS..  trans-136.9140.5-171.7-56.5-74.4000112.2H311 M314 M360 S361H311-F364 AromaticContact CD2-CG 3.96Å; H311-F364 AromaticContact CE1-CD1 3.73Å; H311-F364 AromaticContact CE1-CD2 3.84Å; H311-F364 AromaticContact CE1-CE1 3.77Å; H311-F364 AromaticContact CE1-CE2 3.87Å; H311-F364 AromaticContact CE1-CG 3.77Å; H311-F364 AromaticContact CE1-CZ 3.84Å; H311-F364 AromaticContact ND1-CD2 3.79Å; H311-F364 AromaticContact ND1-CE2 3.88Å; H311-F364 AromaticContact NE2-CD1 3.68Å; H311-F364 AromaticContact NE2-CG 3.7Å; M314-F364 HydrophobicContact CE-CB 4.16Å; M314-F364 WeakPolarHBondContact CE-O 3.48Å; M360-F364 WeakPolarHBondContact CA-O 3.45Å; S361-F364 PolarHBondContact N-O 2.86Å; S361-F364 PolarHBondContact OG-N 2.75Å; S361-F364 PolarHBondContact OG-O 2.84Å
365N92.5Very high92.7Very high147 Ų14759.7 Ų59.779%0.78630%0.303SS*.EExtended strand (participates in β ladder)trans-122.9138.7167.656.30.7000110.8A359A359-N365 WeakPolarHBondContact O-CA 3.5Å
366E92.8Very high92.5Very high19 Ų1965.5 Ų65.59%0.08934%0.335CS..EExtended strand (participates in β ladder)trans-132.5145.6171.9-171.4173.3-17000108.6R253 T309 K310 M314 A359 I368R253-E366 IonicContact CZ-OE1 2.61Å; R253-E366 IonicContact NE-OE1 3.79Å; R253-E366 IonicContact NH2-OE1 3.99Å; R253-E366 PolarHBondContact NH2-OE1 3.37Å; T309-E366 VanDerWaalsContact CA-OE2 3.32Å; T309-E366 WeakPolarHBondContact CA-OE2 3.32Å; K310-E366 VanDerWaalsContact CE-OE1 3.24Å; K310-E366 WeakPolarHBondContact CE-OE1 3.33Å; K310-E366 WeakPolarHBondContact CG-OE2 3.4Å; K310-E366 PolarHBondContact N-OE2 3.32Å; M314-E366 HydrophobicContact CE-CB 4.45Å; A359-E366 HydrophobicContact CB-CB 4.39Å; A359-E366 PolarHBondContact N-O 3.11Å; A359-E366 PolarHBondContact O-N 3.06Å; A359-E366 VanDerWaalsContact O-O 3.14Å; E366-I368 HydrophobicContact CG-CD1 4.47Å; E366-I368 HydrophobicContact CG-CG1 3.98Å
367T93.9Very high92.1Very high60 Ų6070.3 Ų70.337%0.36836%0.356SS..EExtended strand (participates in β ladder)trans-130.5119.9173.7-57.60000107.7T356 C357 F358 Y369T356-T367 HydrophobicContact CG2-CG2 3.41Å; T356-T367 VanDerWaalsContact CG2-CG2 3.41Å; C357-T367 WeakPolarHBondContact O-CA 3.39Å; F358-T367 HydrophobicContact CD1-CG2 3.71Å; F358-T367 HydrophobicContact CE1-CG2 3.75Å; T367-Y369 HydrophobicContact CG2-CE1 4.08Å; T367-Y369 HydrophobicContact CG2-CE2 4.15Å
368I93Very high91.6Very high17 Ų1772.6 Ų72.69%0.08737%0.37CS..EExtended strand (participates in β ladder)trans-113.3122.3-175.2-54.6179000107.4D308 T309 T356 C357 E366 I370D308-I368 WeakPolarHBondContact O-CD1 3.39Å; T309-I368 HydrophobicContact CG2-CD1 4.19Å; T356-I368 WeakPolarHBondContact CA-O 3.41Å; C357-I368 HydrophobicContact CB-CB 4.43Å; C357-I368 PolarHBondContact N-O 2.76Å; C357-I368 PolarHBondContact O-N 2.78Å; E366-I368 HydrophobicContact CG-CD1 4.47Å; E366-I368 HydrophobicContact CG-CG1 3.98Å; I368-I370 HydrophobicContact CG2-CG1 4.18Å
369Y92.4Very high90.7Very high151 Ų15175.7 Ų75.759%0.59239%0.387SS*.EExtended strand (participates in β ladder)trans-96.8133.4175.1-56.9-76.8000108.9T354 Y355 T356 T367T354-Y369 HydrophobicContact CG2-CD1 4.29Å; Y355-Y369 WeakPolarHBondContact O-CA 3.46Å; T356-Y369 HydrophobicContact CG2-CD1 3.87Å; T356-Y369 HydrophobicContact CG2-CE1 3.66Å; T356-Y369 WeakPolarHBondContact OG1-CD1 3.32Å; T367-Y369 HydrophobicContact CG2-CE1 4.08Å; T367-Y369 HydrophobicContact CG2-CE2 4.15Å
370I92.9Very high89.2Confident22 Ų2283.4 Ų83.411%0.11342%0.422CS..EExtended strand (participates in β ladder)trans-128116.8179.1-57.5177.8000107.5E295 L305 S306 W318 T354 Y355 I368E295-I370 HydrophobicContact CG-CG2 3.84Å; L305-I370 HydrophobicContact CB-CD1 4.34Å; L305-I370 HydrophobicContact CD1-CG2 4.46Å; L305-I370 HydrophobicContact CD2-CG2 4.21Å; S306-I370 WeakPolarHBondContact O-CD1 3.4Å; W318-I370 HydrophobicContact CH2-CD1 3.72Å; W318-I370 HydrophobicContact CZ3-CD1 4Å; T354-I370 WeakPolarHBondContact CA-O 3.32Å; Y355-I370 PolarHBondContact N-O 3.13Å; Y355-I370 PolarHBondContact O-N 3.47Å; I368-I370 HydrophobicContact CG2-CG1 4.18Å
371V93.4Very high87.2Confident81 Ų8182.7 Ų82.749%0.49143%0.433SS..EExtended strand (participates in β ladder)trans-86117.2175.5-179.30000108.1G294 E295G294-V371 CarbonylContact C-O 3.6Å; G294-V371 VanDerWaalsContact CA-O 3.26Å; G294-V371 WeakPolarHBondContact CA-O 3.21Å; E295-V371 PolarHBondContact N-O 3.21Å
372L94Very high85.3Confident1 Ų183.6 Ų83.61%0.00544%0.444CS..EExtended strand (participates in β ladder)trans-103.4123.6175.7178.157.1000110.6E295 A297 L303 I344 S352 G353 Y355 V374E295-L372 HydrophobicContact CB-CD1 4.06Å; E295-L372 WeakPolarHBondContact O-CA 3.49Å; E295-L372 WeakPolarHBondContact O-CD1 3.47Å; A297-L372 HydrophobicContact CB-CD1 3.79Å; L303-L372 HydrophobicContact CD2-CD1 3.46Å; L303-L372 VanDerWaalsContact CD2-CD1 3.46Å; L303-L372 HydrophobicContact CD2-CD2 3.65Å; L303-L372 HydrophobicContact CD2-CG 4.23Å; I344-L372 HydrophobicContact CD1-CD2 3.93Å; S352-L372 CarbonylContact C-O 3.42Å; S352-L372 WeakPolarHBondContact CA-O 3.28Å; S352-L372 PolarHBondContact OG-O 2.95Å; G353-L372 PolarHBondContact N-O 2.83Å; G353-L372 PolarHBondContact O-N 2.92Å; Y355-L372 HydrophobicContact CD2-CB 3.93Å; Y355-L372 HydrophobicContact CD2-CD2 4.4Å; Y355-L372 HydrophobicContact CE2-CB 3.8Å; Y355-L372 HydrophobicContact CE2-CD2 3.64Å; Y355-L372 HydrophobicContact CE2-CG 4.32Å; L372-V374 HydrophobicContact CD2-CG2 4.29Å; L372-V374 HydrophobicContact CG-CG2 4.09Å
373K93.6Very high83.4Confident98 Ų9875.8 Ų75.843%0.42642%0.418SS..EExtended strand (participates in β ladder)trans-109111.3176179.7-177.7160-154.90110.2E295 E296 A297 S352E295-K373 PolarHBondContact O-N 3.13Å; E296-K373 WeakPolarHBondContact CA-O 3.03Å; E296-K373 HydrophobicContact CG-CB 4.46Å; E296-K373 HydrophobicContact CG-CD 4.37Å; E296-K373 WeakPolarHBondContact OE1-CD 3.27Å; E296-K373 WeakPolarHBondContact OE1-CE 3.36Å; E296-K373 IonicContact OE1-NZ 2.77Å; E296-K373 PolarHBondContact OE1-NZ 2.88Å; A297-K373 PolarHBondContact N-O 2.76Å; S352-K373 WeakPolarHBondContact OG-CA 3.48Å
374V93.1Very high81.7Confident7 Ų778.7 Ų78.74%0.04242%0.421CS..EExtended strand (participates in β ladder)trans-96.4122.4178.7-172.50000110.9A297 L299 V347 R348 D351 S352 L372A297-V374 HydrophobicContact CB-CG2 4.41Å; A297-V374 CarbonylContact O-C 3.35Å; A297-V374 WeakPolarHBondContact O-CA 3.47Å; L299-V374 HydrophobicContact CD2-CG1 4.03Å; V347-V374 HydrophobicContact CG1-CB 4.46Å; V347-V374 HydrophobicContact CG1-CG1 3.74Å; V347-V374 HydrophobicContact CG1-CG2 3.81Å; R348-V374 WeakPolarHBondContact O-CG1 3.41Å; D351-V374 HydrophobicContact CB-CG2 4.4Å; S352-V374 PolarHBondContact OG-N 3.22Å; S352-V374 VanDerWaalsContact OG-N 3.14Å; L372-V374 HydrophobicContact CD2-CG2 4.29Å; L372-V374 HydrophobicContact CG-CG2 4.09Å
375H92.1Very high80.3Confident38 Ų3878.6 Ų78.618%0.17643%0.429CS..EExtended strand (participates in β ladder)trans-77.5142.3172.8-71.2-100.9000110.6E296 A297 F298 L299 F377E296-H375 IonicContact OE1-NE2 3.69Å; E296-H375 IonicContact OE2-NE2 3.62Å; A297-H375 WeakPolarHBondContact O-CB 3.23Å; A297-H375 PolarHBondContact O-CD2 3.43Å; A297-H375 PolarHBondContact O-N 2.95Å; F298-H375 HydrophobicContact CD1-CB 3.82Å; F298-H375 HydrophobicContact CE1-CB 4.07Å; F298-H375 AromaticContact CE1-CG 3.98Å; L299-H375 WeakPolarHBondContact CG-O 3.35Å; H375-F377 HydrophobicContact CB-CD1 4.05Å; H375-F377 HydrophobicContact CB-CE1 3.78Å; H375-F377 HydrophobicContact CB-CZ 4.06Å; H375-F377 AromaticContact ND1-CE1 3.65Å; H375-F377 AromaticContact ND1-CZ 3.83Å; H375-F377 PolarHBondContact O-N 2.84Å
376N90.6Very high78.5Confident124 Ų12477.6 Ų77.666%0.66342%0.423SS*.EExtended strand (participates in β ladder)trans-80.125.8-177.567.4-29.7000114.3Y349Y349-N376 HydrophobicContact CD2-CB 4.41Å
377F86.9Confident76.9Confident105 Ų10581.5 Ų81.546%0.46145%0.445SS..EExtended strand (participates in β ladder)trans-141.8157.2178.358.6-94.8000110.9F298 L299 H375F298-F377 WeakPolarHBondContact CB-O 3.28Å; F298-F377 AromaticContact CD1-CD2 3.89Å; F298-F377 HydrophobicContact CD1-CD2 3.89Å; F298-F377 AromaticContact CD1-CE2 3.47Å; F298-F377 HydrophobicContact CD1-CE2 3.47Å; F298-F377 VanDerWaalsContact CD1-CE2 3.47Å; F298-F377 HydrophobicContact CD1-CZ 4.05Å; F298-F377 HydrophobicContact CE1-CD2 4.3Å; F298-F377 AromaticContact CE1-CE2 3.42Å; F298-F377 HydrophobicContact CE1-CE2 3.42Å; F298-F377 VanDerWaalsContact CE1-CE2 3.42Å; F298-F377 AromaticContact CE1-CZ 3.7Å; F298-F377 HydrophobicContact CE1-CZ 3.7Å; L299-F377 PolarHBondContact N-O 2.91Å; H375-F377 HydrophobicContact CB-CD1 4.05Å; H375-F377 HydrophobicContact CB-CE1 3.78Å; H375-F377 HydrophobicContact CB-CZ 4.06Å; H375-F377 AromaticContact ND1-CE1 3.65Å; H375-F377 AromaticContact ND1-CZ 3.83Å; H375-F377 PolarHBondContact O-N 2.84Å
378T85.8Confident75.4Confident48 Ų4883 Ų8329%0.29445%0.454SS..EExtended strand (participates in β ladder)trans-85.4149.6174.960.70000110.5L299 E300 H380 G381L299-T378 HydrophobicContact CB-CG2 3.95Å; E300-T378 HydrophobicContact CB-CG2 4.33Å; E300-T378 HydrophobicContact CG-CG2 4.12Å; T378-H380 PolarHBondContact O-N 3.29Å; T378-G381 PolarHBondContact O-N 2.92Å
379M73.7Confident74.3Confident136 Ų13684.9 Ų84.967%0.6747%0.472SS*.THydrogen-bonded Turntrans-57.6-24.6-174.6-166.4-175.3-174.900114.1F298F298-M379 HydrophobicContact CB-CB 4.24Å; F298-M379 HydrophobicContact CD2-CB 4.08Å; F298-M379 HydrophobicContact CD2-CG 4.09Å; F298-M379 HydrophobicContact CE2-CG 4.46Å; F298-M379 HydrophobicContact CG-CB 4.19Å
380H63.9Low73.5Confident164 Ų16485.2 Ų85.276%0.75947%0.473SS*.THydrogen-bonded Turntrans-95.3-7.1-179.1-67-57.1000115T378 A382 G383T378-H380 PolarHBondContact O-N 3.29Å; H380-A382 PolarHBondContact O-N 3.35Å; H380-G383 PolarHBondContact O-N 3.17Å; H380-G383 VanDerWaalsContact O-N 3.15Å
381G52.6Low72.6Confident60 Ų6088.4 Ų88.462%0.61949%0.494SS*.THydrogen-bonded Turntrans-63-8.9-16800000117.4T378T378-G381 PolarHBondContact O-N 2.92Å
382A50.1Low72Confident73 Ų7388.8 Ų88.860%0.60350%0.496SS*.THydrogen-bonded Turntrans-93.3-23177.300000114.3H380 E384 T385H380-A382 PolarHBondContact O-N 3.35Å; A382-E384 PolarHBondContact O-N 2.95Å; A382-T385 PolarHBondContact O-OG1 3.37Å
383G48.5Very low71.6Confident39 Ų3993.4 Ų93.440%0.40252%0.521SS..THydrogen-bonded Turntrans-67.6-32-162.800000115.4H380 T385 L386H380-G383 PolarHBondContact O-N 3.17Å; H380-G383 VanDerWaalsContact O-N 3.15Å; G383-T385 VanDerWaalsContact C-N 3.28Å; G383-T385 PolarHBondContact O-N 3.18Å; G383-L386 PolarHBondContact O-N 3.07Å
384E53.9Low71.3Confident159 Ų15992 Ų9274%0.74352%0.52SS*.Hα-helixtrans-70.5-23.8-173.8-57.5-161.5141.700113.4A382 L386 N387A382-E384 PolarHBondContact O-N 2.95Å; E384-L386 VanDerWaalsContact C-N 3.28Å; E384-L386 PolarHBondContact O-N 2.89Å; E384-N387 PolarHBondContact O-N 2.94Å
385T55.5Low70.9Confident102 Ų10293.5 Ų93.563%0.62654%0.538SS*.Hα-helixtrans-67.7-25.3179.463.30000113.7A382 G383 T388A382-T385 PolarHBondContact O-OG1 3.37Å; G383-T385 VanDerWaalsContact C-N 3.28Å; G383-T385 PolarHBondContact O-N 3.18Å; T385-T388 PolarHBondContact O-OG1 3.12Å
386L55.3Low70.7Confident125 Ų12595.4 Ų95.465%0.65455%0.554SS**Hα-helixtrans-81.6-27.9175.2-67.7171.4000112.1G383 E384 T388 A389 Y390G383-L386 PolarHBondContact O-N 3.07Å; E384-L386 VanDerWaalsContact C-N 3.28Å; E384-L386 PolarHBondContact O-N 2.89Å; L386-T388 PolarHBondContact O-N 3.05Å; L386-A389 PolarHBondContact O-N 3.28Å; L386-Y390 PolarHBondContact O-N 3.5Å
387N59.2Low70.8Confident101 Ų10194.6 Ų94.654%0.5455%0.549SS..Hα-helixtrans-68.4-33.6-178.6-72.9-25.5000112.3E384 T391E384-N387 PolarHBondContact O-N 2.94Å; N387-T391 WeakPolarHBondContact O-CB 3.49Å; N387-T391 VanDerWaalsContact O-CG2 3.28Å; N387-T391 WeakPolarHBondContact O-CG2 3.49Å; N387-T391 PolarHBondContact O-N 2.86Å; N387-T391 PolarHBondContact O-OG1 2.96Å
388T62.9Low70.9Confident91 Ų9192 Ų9256%0.55855%0.547SS*.Hα-helixtrans-69.6-39.4174.946.60000112.2T385 L386 T391 T392T385-T388 PolarHBondContact O-OG1 3.12Å; L386-T388 PolarHBondContact O-N 3.05Å; T388-T391 WeakPolarHBondContact CA-OG1 3.38Å; T388-T391 PolarHBondContact O-OG1 2.98Å; T388-T392 WeakPolarHBondContact O-CB 3.3Å; T388-T392 WeakPolarHBondContact O-CG2 3.26Å; T388-T392 PolarHBondContact O-N 3.14Å; T388-T392 PolarHBondContact O-OG1 2.76Å
389A69.5Low71Confident57 Ų5792.7 Ų92.747%0.47155%0.554SS.*Hα-helixtrans-64.8-41.4172.800000112.4L386 T392 L393L386-A389 PolarHBondContact O-N 3.28Å; A389-T392 PolarHBondContact O-OG1 3.26Å; A389-T392 VanDerWaalsContact O-OG1 3.06Å; A389-L393 WeakPolarHBondContact O-CB 3.39Å; A389-L393 PolarHBondContact O-N 2.94Å; A389-L393 VanDerWaalsContact O-N 3.11Å
390Y75.3Confident71.8Confident158 Ų15890.2 Ų90.262%0.6255%0.546SS*.Hα-helixtrans-71.2-43.2178.7-170.2-99.2000112.8L386 L393 V394L386-Y390 PolarHBondContact O-N 3.5Å; Y390-L393 PolarHBondContact O-N 3.17Å; Y390-V394 HydrophobicContact CD1-CG2 4.1Å; Y390-V394 HydrophobicContact CE1-CG2 3.77Å; Y390-V394 WeakPolarHBondContact O-CG2 3.23Å; Y390-V394 PolarHBondContact O-N 2.89Å
391T75.6Confident72.9Confident89 Ų8986 Ų8655%0.54653%0.532SS..Hα-helixtrans-67.4-36.8178.550.50000112.5N387 T388 G395N387-T391 WeakPolarHBondContact O-CB 3.49Å; N387-T391 VanDerWaalsContact O-CG2 3.28Å; N387-T391 WeakPolarHBondContact O-CG2 3.49Å; N387-T391 PolarHBondContact O-N 2.86Å; N387-T391 PolarHBondContact O-OG1 2.96Å; T388-T391 WeakPolarHBondContact CA-OG1 3.38Å; T388-T391 PolarHBondContact O-OG1 2.98Å; T391-G395 PolarHBondContact O-N 3.5Å
392T80.5Confident74.4Confident89 Ų8989 Ų8955%0.54653%0.533SS..Hα-helixtrans-66.3-42.9172.248.50000112.1T388 A389 V394 G395 C396T388-T392 WeakPolarHBondContact O-CB 3.3Å; T388-T392 WeakPolarHBondContact O-CG2 3.26Å; T388-T392 PolarHBondContact O-N 3.14Å; T388-T392 PolarHBondContact O-OG1 2.76Å; A389-T392 PolarHBondContact O-OG1 3.26Å; A389-T392 VanDerWaalsContact O-OG1 3.06Å; T392-V394 PolarHBondContact O-N 2.73Å; T392-G395 PolarHBondContact O-N 3.3Å; T392-C396 PolarHBondContact O-N 3.34Å; T392-C396 PolarHBondContact O-SG 2.84Å; T392-C396 VanDerWaalsContact O-SG 3.41Å
393L85.9Confident76.1Confident99 Ų9989.6 Ų89.652%0.51853%0.529SS..Hα-helixtrans-58.7-46.9174.2-177.769.3000112.1A389 Y390 G395 C396 L397A389-L393 WeakPolarHBondContact O-CB 3.39Å; A389-L393 PolarHBondContact O-N 2.94Å; A389-L393 VanDerWaalsContact O-N 3.11Å; Y390-L393 PolarHBondContact O-N 3.17Å; L393-G395 VanDerWaalsContact C-N 3.35Å; L393-G395 PolarHBondContact O-N 2.7Å; L393-C396 PolarHBondContact O-N 3.26Å; L393-L397 HydrophobicContact CG-CD1 4.24Å; L393-L397 WeakPolarHBondContact O-CG 3.47Å; L393-L397 PolarHBondContact O-N 2.72Å
394V86.3Confident77.6Confident67 Ų6791.7 Ų91.741%0.40653%0.531SS..Hα-helixtrans-63.2-40.4176.9170.70000111.3Y390 T392 L397 A398Y390-V394 HydrophobicContact CD1-CG2 4.1Å; Y390-V394 HydrophobicContact CE1-CG2 3.77Å; Y390-V394 WeakPolarHBondContact O-CG2 3.23Å; Y390-V394 PolarHBondContact O-N 2.89Å; T392-V394 PolarHBondContact O-N 2.73Å; V394-L397 PolarHBondContact O-N 2.99Å; V394-A398 WeakPolarHBondContact O-CB 3.17Å; V394-A398 PolarHBondContact O-N 2.84Å
395G84Confident78.9Confident40 Ų4088.9 Ų88.941%0.41252%0.519SS..Hα-helixtrans-61.7-42.3174.300000113.3T391 T392 L393 A398 S399T391-G395 PolarHBondContact O-N 3.5Å; T392-G395 PolarHBondContact O-N 3.3Å; L393-G395 VanDerWaalsContact C-N 3.35Å; L393-G395 PolarHBondContact O-N 2.7Å; G395-A398 PolarHBondContact O-N 2.87Å; G395-S399 WeakPolarHBondContact O-CB 3.38Å; G395-S399 PolarHBondContact O-N 3.04Å; G395-S399 PolarHBondContact O-OG 3.07Å
396C89.3Confident79.8Confident78 Ų7891.9 Ų91.953%0.52752%0.52SS..Hα-helixtrans-65.2-41.8174-72.30000112.5T392 L393 S399 V400T392-C396 PolarHBondContact O-N 3.34Å; T392-C396 PolarHBondContact O-SG 2.84Å; T392-C396 VanDerWaalsContact O-SG 3.41Å; L393-C396 PolarHBondContact O-N 3.26Å; C396-S399 PolarHBondContact O-N 3.07Å; C396-S399 PolarHBondContact O-OG 2.73Å; C396-S399 VanDerWaalsContact O-OG 3.06Å; C396-V400 WeakPolarHBondContact O-CG2 3.36Å; C396-V400 PolarHBondContact O-N 3.21Å
397L91.6Very high80.7Confident106 Ų10691.3 Ų91.356%0.55552%0.517SS*.Hα-helixtrans-64.7-43.4176.2-71.4169.2000111.4L393 V394 V400 V401L393-L397 HydrophobicContact CG-CD1 4.24Å; L393-L397 WeakPolarHBondContact O-CG 3.47Å; L393-L397 PolarHBondContact O-N 2.72Å; V394-L397 PolarHBondContact O-N 2.99Å; L397-V400 PolarHBondContact O-N 3.41Å; L397-V401 WeakPolarHBondContact O-CG2 3.2Å; L397-V401 PolarHBondContact O-N 3.33Å
398A89.2Confident81.2Confident51 Ų5195.6 Ų95.642%0.42153%0.527SS..Hα-helixtrans-63.3-40.9176.800000112.5V394 G395 V401 L402V394-A398 WeakPolarHBondContact O-CB 3.17Å; V394-A398 PolarHBondContact O-N 2.84Å; G395-A398 PolarHBondContact O-N 2.87Å; A398-V401 PolarHBondContact O-N 3.39Å; A398-L402 WeakPolarHBondContact O-CB 3.33Å; A398-L402 WeakPolarHBondContact O-CG 3.42Å; A398-L402 PolarHBondContact O-N 2.98Å
399S87.4Confident81.3Confident62 Ų6297.1 Ų97.143%0.43453%0.531SS..Hα-helixtrans-70.3-38.4178.366.90000112.6G395 C396 L402 V403G395-S399 WeakPolarHBondContact O-CB 3.38Å; G395-S399 PolarHBondContact O-N 3.04Å; G395-S399 PolarHBondContact O-OG 3.07Å; C396-S399 PolarHBondContact O-N 3.07Å; C396-S399 PolarHBondContact O-OG 2.73Å; C396-S399 VanDerWaalsContact O-OG 3.06Å; S399-L402 PolarHBondContact O-N 3.31Å; S399-V403 WeakPolarHBondContact O-CG2 3.14Å; S399-V403 PolarHBondContact O-N 2.89Å
400V91.1Very high80.9Confident85 Ų8597.9 Ų97.952%0.51553%0.53SS..Hα-helixtrans-62.2-43.7171.9170.10000111.2C396 L397 V403 L404C396-V400 WeakPolarHBondContact O-CG2 3.36Å; C396-V400 PolarHBondContact O-N 3.21Å; L397-V400 PolarHBondContact O-N 3.41Å; V400-V403 PolarHBondContact O-N 3.3Å; V400-L404 HydrophobicContact CG1-CD1 4Å; V400-L404 WeakPolarHBondContact O-CG 3.14Å; V400-L404 PolarHBondContact O-N 3.07Å
401V88.4Confident80Confident76 Ų7695.5 Ų95.546%0.46153%0.534SS..Hα-helixtrans-61.8-43.9175169.90000111.1L397 A398 V403 L404 M405L397-V401 WeakPolarHBondContact O-CG2 3.2Å; L397-V401 PolarHBondContact O-N 3.33Å; A398-V401 PolarHBondContact O-N 3.39Å; V401-V403 PolarHBondContact O-N 3.46Å; V401-L404 PolarHBondContact O-N 3.3Å; V401-M405 HydrophobicContact CG1-CE 4.44Å; V401-M405 HydrophobicContact CG1-CG 4.35Å; V401-M405 VanDerWaalsContact O-CG 3.32Å; V401-M405 WeakPolarHBondContact O-CG 3.07Å; V401-M405 PolarHBondContact O-N 3.2Å
402L82.9Confident78.9Confident123 Ų12397.6 Ų97.664%0.64455%0.551SS**Hα-helixtrans-63.3-39.8176.9-76.9166.9000112.9A398 S399 M405 Y406A398-L402 WeakPolarHBondContact O-CB 3.33Å; A398-L402 WeakPolarHBondContact O-CG 3.42Å; A398-L402 PolarHBondContact O-N 2.98Å; S399-L402 PolarHBondContact O-N 3.31Å; L402-M405 PolarHBondContact O-N 3.14Å; L402-Y406 WeakPolarHBondContact O-CB 3.2Å; L402-Y406 PolarHBondContact O-N 3.3Å
403V85.3Confident77.4Confident85 Ų85104.2 Ų104.252%0.51557%0.565SS.*Hα-helixtrans-65.1-41.1174.4169.10000111.1S399 V400 V401 Y406 L407S399-V403 WeakPolarHBondContact O-CG2 3.14Å; S399-V403 PolarHBondContact O-N 2.89Å; V400-V403 PolarHBondContact O-N 3.3Å; V401-V403 PolarHBondContact O-N 3.46Å; V403-Y406 PolarHBondContact O-N 3.33Å; V403-L407 HydrophobicContact CG1-CD1 3.83Å; V403-L407 HydrophobicContact CG1-CG 4.41Å; V403-L407 WeakPolarHBondContact O-CB 3.43Å; V403-L407 VanDerWaalsContact O-CG 3.31Å; V403-L407 WeakPolarHBondContact O-CG 3.5Å; V403-L407 PolarHBondContact O-N 3.47Å
404L81.5Confident75.4Confident82 Ų82105.4 Ų105.443%0.42958%0.581SS.*Hα-helixtrans-65.3-42.7174.5-70.9169.6000111.8V400 V401 Y406 L407 Y408V400-L404 HydrophobicContact CG1-CD1 4Å; V400-L404 WeakPolarHBondContact O-CG 3.14Å; V400-L404 PolarHBondContact O-N 3.07Å; V401-L404 PolarHBondContact O-N 3.3Å; L404-Y406 VanDerWaalsContact C-N 3.31Å; L404-Y406 PolarHBondContact O-N 2.98Å; L404-L407 PolarHBondContact O-N 2.89Å; L404-Y408 HydrophobicContact CD2-CD2 4.14Å; L404-Y408 HydrophobicContact CD2-CE2 3.81Å; L404-Y408 WeakPolarHBondContact O-CB 3.42Å; L404-Y408 WeakPolarHBondContact O-CD2 3.34Å; L404-Y408 PolarHBondContact O-N 2.91Å
405M79.6Confident73.6Confident100 Ų100111.3 Ų111.349%0.49360%0.601SS.*Hα-helixtrans-61.8-39.4173.6-66.3-50.7-16600111.5V401 L402 L409V401-M405 HydrophobicContact CG1-CE 4.44Å; V401-M405 HydrophobicContact CG1-CG 4.35Å; V401-M405 VanDerWaalsContact O-CG 3.32Å; V401-M405 WeakPolarHBondContact O-CG 3.07Å; V401-M405 PolarHBondContact O-N 3.2Å; L402-M405 PolarHBondContact O-N 3.14Å; M405-L409 HydrophobicContact CB-CD1 4.45Å; M405-L409 HydrophobicContact CE-CD1 4.5Å; M405-L409 HydrophobicContact CG-CD1 4.42Å; M405-L409 WeakPolarHBondContact O-CA 3.41Å; M405-L409 VanDerWaalsContact O-CB 3.23Å; M405-L409 WeakPolarHBondContact O-CB 3.22Å; M405-L409 PolarHBondContact O-N 3.49Å; M405-L409 HydrophobicContact SD-CD1 3.41Å; M405-L409 WeakPolarHBondContact SD-CD1 2.95Å; M405-L409 HydrophobicContact SD-CG 4.1Å
406Y75.1Confident71.5Confident165 Ų165115.6 Ų115.665%0.64762%0.623SS**Hα-helixtrans-63.7-45.8174.7-173.1-96.4000111.8L402 V403 L404 T410L402-Y406 WeakPolarHBondContact O-CB 3.2Å; L402-Y406 PolarHBondContact O-N 3.3Å; V403-Y406 PolarHBondContact O-N 3.33Å; L404-Y406 VanDerWaalsContact C-N 3.31Å; L404-Y406 PolarHBondContact O-N 2.98Å; Y406-T410 HydrophobicContact CD2-CG2 4.02Å; Y406-T410 HydrophobicContact CE2-CG2 4.16Å; Y406-T410 HydrophobicContact CG-CG2 4.47Å; Y406-T410 VanDerWaalsContact O-CG2 3.28Å; Y406-T410 WeakPolarHBondContact O-CG2 3.37Å; Y406-T410 PolarHBondContact O-OG1 2.95Å
407L74.3Confident68.9Low114 Ų114116.8 Ų116.860%0.59763%0.632SS**Hα-helixtrans-72.1-29.5-178-69.8170.8000114.3V403 L404V403-L407 HydrophobicContact CG1-CD1 3.83Å; V403-L407 HydrophobicContact CG1-CG 4.41Å; V403-L407 WeakPolarHBondContact O-CB 3.43Å; V403-L407 VanDerWaalsContact O-CG 3.31Å; V403-L407 WeakPolarHBondContact O-CG 3.5Å; V403-L407 PolarHBondContact O-N 3.47Å; L404-L407 PolarHBondContact O-N 2.89Å
408Y70.2Confident66.7Low191 Ų191117.1 Ų117.175%0.74964%0.64SS**Hα-helixtrans-111.4-17.4-173.8-70.2-81.2000115L404L404-Y408 HydrophobicContact CD2-CD2 4.14Å; L404-Y408 HydrophobicContact CD2-CE2 3.81Å; L404-Y408 WeakPolarHBondContact O-CB 3.42Å; L404-Y408 WeakPolarHBondContact O-CD2 3.34Å; L404-Y408 PolarHBondContact O-N 2.91Å
409L65.2Low64.1Low122 Ų122119.3 Ų119.364%0.63965%0.653SS**Hα-helixtrans-114.29.6178.8-56.8-177.3000114.8M405 P411M405-L409 HydrophobicContact CB-CD1 4.45Å; M405-L409 HydrophobicContact CE-CD1 4.5Å; M405-L409 HydrophobicContact CG-CD1 4.42Å; M405-L409 WeakPolarHBondContact O-CA 3.41Å; M405-L409 VanDerWaalsContact O-CB 3.23Å; M405-L409 WeakPolarHBondContact O-CB 3.22Å; M405-L409 PolarHBondContact O-N 3.49Å; M405-L409 HydrophobicContact SD-CD1 3.41Å; M405-L409 WeakPolarHBondContact SD-CD1 2.95Å; M405-L409 HydrophobicContact SD-CG 4.1Å; L409-P411 WeakPolarHBondContact O-CD 3.45Å
410T61.2Low61.6Low74 Ų74126.5 Ų126.545%0.45468%0.676SS.*SBendtrans-90.2102.5163.959.60000110.6Y406 C412Y406-T410 HydrophobicContact CD2-CG2 4.02Å; Y406-T410 HydrophobicContact CE2-CG2 4.16Å; Y406-T410 HydrophobicContact CG-CG2 4.47Å; Y406-T410 VanDerWaalsContact O-CG2 3.28Å; Y406-T410 WeakPolarHBondContact O-CG2 3.37Å; Y406-T410 PolarHBondContact O-OG1 2.95Å; T410-C412 PolarHBondContact O-N 3.2Å
411P56.1Low58.9Low108 Ų108126 Ų12670%0.70169%0.688SS**  trans-75.7113.6-17930.2-35.2000111.1L409 R413L409-P411 WeakPolarHBondContact O-CD 3.45Å; P411-R413 PolarHBondContact O-N 3.33Å
412C51.9Low56.3Low133 Ų133131.6 Ų131.690%0.89971%0.706SS**  trans-54.5112.8173.8-65.20000111.5T410T410-C412 PolarHBondContact O-N 3.2Å
413R49.3Very low53.9Low227 Ų227132.1 Ų132.186%0.85772%0.715SS**  trans-117.399.5173.3-81.6-167.6172.7-161.40.2111.4P411P411-R413 PolarHBondContact O-N 3.33Å
414C44.3Very low51.5Low125 Ų125140.1 Ų140.185%0.84574%0.736SS**  157138.2115.4-85.10000111.4
415F47.8Very low49.1Very low190 Ų190139.7 Ų139.783%0.83375%0.751SS**  trans-133.992.5176.6-167.8-81.7000108.7
416C39.5Very low47Very low130 Ų130143.8 Ų143.888%0.87877%0.769SS**  trans-148108.6175.3-95.70000111.5
417C35.7Very low44.9Very low104 Ų104143.6 Ų143.670%0.70378%0.779SS**  trans-60.4-173176.4-46.90000114.9
418P45.7Very low42.9Very low112 Ų112142.4 Ų142.473%0.72778%0.78SS**  cis-139.8158.2-5.327.1-3.3000118.3
419S33.2Very low41.7Very low98 Ų98141.2 Ų141.269%0.68579%0.785SS**  trans49.6120.6143.273.20000123
420K35.8Very low40.2Very low212 Ų212143 Ų14392%0.92279%0.79SS**  161.2145.5111.4-90171.9-179.1174.40111.9
421G33.2Very low38.9Very low74 Ų74144.5 Ų144.576%0.76380%0.803SS**  trans116.591.6147.800000119.4
422K33.5Very low37.8Very low194 Ų194144.1 Ų144.184%0.84380%0.803SS**  trans47.6137.9133.6-81.2-173171.6-1770123.6
423T33.1Very low36.8Very low135 Ų135145.3 Ų145.383%0.82880%0.797SS**  trans81.3144.5139.742.50000121.9
424R34.5Very low35.9Very low253 Ų253140.9 Ų140.996%0.95579%0.79SS**  trans-69.3150.7170.2-67.3170166.1164.8-8.3111
425G31.4Very low35.2Very low73 Ų73140.7 Ų140.775%0.75379%0.79SS**  trans170.6132.9163.700000108.8
426E35.8Very low34.5Very low186 Ų186136.7 Ų136.787%0.86978%0.781SS**  trans-72.6141.1163.4-67.1145.7129.200107.9
427D30.6Very low34.1Very low161 Ų161136.2 Ų136.286%0.86178%0.775SS**  177.8162.6113.7-111.8-33.8000115.6
428S32.6Very low34.7Very low89 Ų89136.6 Ų136.662%0.62278%0.775SS**  trans57.3115151.1-156.90000120.9H430S428-H430 PolarHBondContact O-N 3.06Å
429I44.7Very low34Very low166 Ų166137 Ų13785%0.85178%0.776SS**  trans-70.7119158.2-64.7164.4000109.3
430H34.7Very low34.1Very low158 Ų158139 Ų13973%0.73177%0.774SS**  trans-123.9142.9154.2-100.9-107.5000107S428S428-H430 PolarHBondContact O-N 3.06Å
431S32.5Very low33.7Very low106 Ų106137.2 Ų137.274%0.74177%0.769SS**  cis-141131.827.7-59.80000114.4
432S34.2Very low33.4Very low100 Ų100140.9 Ų140.970%0.69977%0.771SS**  trans-60.7166.6143.6-41.80000109.9
433M31Very low34.2Very low158 Ų158136.2 Ų136.278%0.77876%0.761SS**  cis-168.5153.514.1-142.7166.917900110.4
434L30.7Very low34Very low135 Ų135134.9 Ų134.971%0.70776%0.757SS**  trans39.2146.7144.1-72.2171.3000124.7V436L434-V436 HydrophobicContact CB-CG2 4.27Å; L434-V436 HydrophobicContact CD1-CG2 4.3Å; L434-V436 HydrophobicContact CD2-CG2 4.04Å; L434-V436 HydrophobicContact CG-CG2 4.44Å
435S29.6Very low33.8Very low121 Ų121130.3 Ų130.385%0.84675%0.749SS**  trans-139.5147.9142.462.90000111.9
436V32.2Very low33.8Very low106 Ų106135.8 Ų135.864%0.64275%0.752SS**  trans-148.3139.7-149.2157.50000110.7L434L434-V436 HydrophobicContact CB-CG2 4.27Å; L434-V436 HydrophobicContact CD1-CG2 4.3Å; L434-V436 HydrophobicContact CD2-CG2 4.04Å; L434-V436 HydrophobicContact CG-CG2 4.44Å
437T32.3Very low33.5Very low120 Ų120130.4 Ų130.474%0.73674%0.739SS**  cis-147.3-87.2-10.5240000112.4
438P47.3Very low33.4Very low111 Ų111131.1 Ų131.172%0.72174%0.737SS**  -98.4177.1-95.137.1-22.7000113.1
439T32.1Very low33.3Very low120 Ų120133 Ų13374%0.73674%0.739SS**  cis-155.918034.248.80000108.9
440H33.5Very low32.6Very low141 Ų141130.2 Ų130.265%0.65373%0.726SS**  cis-151.1132.86.9-146.9-89.1000110.8
441E27.9Very low32.5Very low174 Ų174132.7 Ų132.781%0.81373%0.729SS**  trans58.6163.3154.7-76.7171.2171.800124.3
442D26.5Very low32.7Very low151 Ų151135.5 Ų135.581%0.80773%0.73SS**  trans-152.8-169.4-160.7-155.126.8000105.4
443P50.9Low32.5Very low96 Ų96137.3 Ų137.362%0.62374%0.736SS**  cis-134.6177-9.444.3-28.6000115.3
444S29.4Very low32.5Very low107 Ų107133.9 Ų133.975%0.74873%0.734SS**  177106.3114.142.20000116.9
445M31Very low32.3Very low158 Ų158137.2 Ų137.278%0.77874%0.743SS**  trans64.9126.9133.7-66.9-151.2-175.300123.9
446K29.7Very low32.4Very low188 Ų188139.4 Ų139.482%0.81774%0.743SS**  trans74.7156.6142.9-68.2167.5-179.6176.90118.9
447A30.3Very low32.3Very low72 Ų72141.1 Ų141.160%0.59575%0.749SS**  cis-177150.5-31.100000108.5
448E28.9Very low32.2Very low176 Ų176140.6 Ų140.682%0.82275%0.75SS**  trans63.3161154.8-72.4-175.2109.500118.8
449L30.1Very low31.5Very low129 Ų129144.3 Ų144.368%0.67576%0.755SS**  cis-159.5137.8-40.2-157.180.3000110.6
450N29.3Very low31.4Very low108 Ų108145 Ų14558%0.57875%0.754SS**  trans59.2135.9144.5-90.3-31.7000124.5
451R33.2Very low31.2Very low210 Ų210144.8 Ų144.879%0.79276%0.757SS**  trans78.4153.1131.5-73.1173-174.1-170.3-1.6121
452H35.7Very low31.2Very low164 Ų164145.3 Ų145.376%0.75976%0.76SS**  cis-179.3146.7-32.4-125.639.1000111.7
453V31.8Very low31.2Very low138 Ų138141.7 Ų141.784%0.83676%0.758SS**  trans54.7165.7161.7-101.10000118.8
454A29.2Very low30.1Very low87 Ų87145.4 Ų145.472%0.71977%0.767SS**  cis-149.7165.2-3.300000111.7
455F27.2Very low30Very low205 Ų205147.6 Ų147.690%0.89977%0.77SS**  trans-93.8143.1164-84.9-102.7000111.6
456I31.7Very low29.9Very low167 Ų167143.8 Ų143.886%0.85677%0.771SS**  trans-141.8143.6148.6-63.6-173.5000107.4
457D30.7Very low29.9Very low142 Ų142144.8 Ų144.876%0.75978%0.776SS**  trans-133.4148.6177-177.121000110.2
458S30Very low29.9Very low109 Ų109149.1 Ų149.176%0.76279%0.788SS**  trans-171.2139.7173.2-78.10000113
459K31.7Very low30.2Very low188 Ų188147.6 Ų147.682%0.81779%0.786SS**  trans-101.4152.9164.4-66.6178.9175.4175.70109
460D29.8Very low30.8Very low135 Ų135146.5 Ų146.572%0.72279%0.786SS**  -167.5148.265.6-106.6-38.3000115.6
461L30.8Very low30.8Very low137 Ų137147.4 Ų147.472%0.71779%0.791SS**  trans40.8131.7144.4-71.2164000126.1
462Q26.8Very low30.6Very low185 Ų185141.2 Ų141.286%0.86479%0.792SS**  trans82.4126.8140.9-72.2174.75.400121.8
463G26.5Very low30.3Very low75 Ų75139.1 Ų139.177%0.77379%0.787SS**  trans-176.428.5-179.300000121.5
464Q27.8Very low30.5Very low174 Ų174140.9 Ų140.981%0.81379%0.786SS**  trans68149.7164.1-58.1-173.1-3.800122.2
465N28.6Very low30.6Very low152 Ų152142.6 Ų142.681%0.81378%0.783SS**  trans66.9144.1158.5-55.5-28.5000119
466G29.2Very low30.8Very low78 Ų78138.6 Ų138.680%0.80477%0.771SS**  cis-152.11671.900000113.4
467K29.5Very low30.7Very low209 Ų209138.2 Ų138.291%0.90977%0.77SS**  trans-110123.6-173.5175.1-171.2178.6-174.30110
468L30.2Very low30.8Very low164 Ų164138 Ų13886%0.85977%0.769SS**  trans-137.2122.6173-95.7169.8000112.2
469N33.9Very low30.9Very low144 Ų144139.9 Ų139.977%0.7777%0.77SS**  trans-150.1121.7156.6-17084.1000106
470P42.6Very low30.9Very low105 Ų105138.1 Ų138.168%0.68277%0.769SS**  trans-128.8155.8156.635.6-23.3000112.5
471N29.6Very low31Very low128 Ų128135.3 Ų135.368%0.68477%0.773SS**  trans-70167.8170-65.814.3000111.5
472G28.3Very low30.9Very low79 Ų79138.4 Ų138.481%0.81478%0.784SS**  trans-144.1110.1152.500000107.7
473D31.3Very low31Very low120 Ų120134.4 Ų134.464%0.64278%0.782SS**  trans-89.9179.2-172.4-51.7-90.8000112.8
474E34.6Very low31Very low176 Ų176134.9 Ų134.982%0.82279%0.787SS**  trans89.3138.1160.2-62162.1-174.100117.3
475D30.8Very low31Very low122 Ų122131.6 Ų131.665%0.65278%0.783SS**  cis-149.5162.315.4-113.7-29.3000113.1
476N31.3Very low30.9Very low122 Ų122131.3 Ų131.365%0.65278%0.781SS**  trans23.5147.4145.1-46.3-40.3000121.4
477D31.5Very low30.9Very low158 Ų158136.3 Ų136.385%0.84579%0.785SS**  -142.2168.452-86.2-32000115.5
478D32.4Very low30.8Very low137 Ų137135.9 Ų135.973%0.73378%0.784SS**  trans-76.3159.3-168.8-62.5-63.4000117.3
479L32.4Very low30.7Very low150 Ų150131.7 Ų131.779%0.78578%0.78SS**  177.5126.2103.4-90.2169.2000113.2
480D31.9Very low30.3Very low150 Ų150134.9 Ų134.980%0.80279%0.787SS**  trans22.3136.9148.5-54.3-26.2000120.2
481G31.5Very low29.6Very low77 Ų77141.8 Ų141.879%0.79480%0.8SS**  cis113.7141.746.400000107.9
482E28.5Very low29.5Very low202 Ų202145.3 Ų145.394%0.94481%0.809SS**  cis-146.4175.619-135.5-174.2153.700110.9
483A28.8Very low29.6Very low101 Ų101151.6 Ų151.684%0.83581%0.814SS**  trans-106.5150.3-178.800000113.6
484G27.3Very low29.4Very low84 Ų84151.4 Ų151.487%0.86682%0.822SS**  trans-145.984.2-175.900000114.6
485S26Very low29.1Very low106 Ų106149.9 Ų149.974%0.74182%0.824SS**  trans-81.5156-167.8-166.50000116.4
486L27.1Very low29Very low146 Ų146148.2 Ų148.276%0.76483%0.828SS**  trans62.2117.7149.3-93163.8000121.3
487M28.6Very low28.8Very low182 Ų182151.6 Ų151.690%0.89784%0.839SS**  -164.5157.4117.8-109.9-59.3176.600113.9
488K28.5Very low28.7Very low201 Ų201149.8 Ų149.887%0.87484%0.839SS**  trans-93.2129179.1-78.5172.6173.5168.10112.1
489G27Very low28.5Very low76 Ų76151 Ų15178%0.78484%0.844SS**  trans-126.7126.4170.600000112.6
490K27Very low28.4Very low210 Ų210148.9 Ų148.991%0.91384%0.842SS**PPolyproline II helixtrans-79.6119.8-177.2-68.4177.5179.6175.30111.8K492K490-K492 PolarHBondContact O-N 3.2Å
491R26.7Very low28.2Very low251 Ų251146.3 Ų146.395%0.94784%0.835SS**PPolyproline II helixtrans-66.1124.5166.2-129.8174.7-175.2168.10.7109.2
492K29.1Very low28.4Very low202 Ų202148.5 Ų148.588%0.87883%0.833SS**PPolyproline II helixtrans-80.8149.2170.9-73.8-176177.4178.10110K490K490-K492 PolarHBondContact O-N 3.2Å
493K28.4Very low28.5Very low210 Ų210147.4 Ų147.491%0.91383%0.825SS**PPolyproline II helixtrans-67.9140.8165.6-78.9-175.5170.4-176.50110.3
494S28.7Very low28.8Very low116 Ų116147.1 Ų147.181%0.81182%0.817SS**  trans-118.4160.9147.651.10000108.3
495V28.4Very low29Very low144 Ų144150.3 Ų150.387%0.87382%0.815SS**  trans-92.7159.6-170.9177.40000110.6
496A28.6Very low29.5Very low88 Ų88151 Ų15173%0.72781%0.814SS**  trans-69.5151.3-17900000113.1
497E26.4Very low29.7Very low193 Ų193149.7 Ų149.790%0.90282%0.815SS**  trans-137.1139.2155-130.6165.7-15100107.7
498S29.7Very low29.6Very low119 Ų119149.8 Ų149.883%0.83282%0.815SS**  trans-97.3128.6-162.7-55.80000112.1
499I27.5Very low29.9Very low163 Ų163146.7 Ų146.784%0.83681%0.813SS**  trans-125.196.8169.2-55.3-179.9000108.9S501I499-S501 PolarHBondContact O-N 2.95Å
500S29.9Very low30.3Very low106 Ų106152.9 Ų152.974%0.74184%0.835SS**  trans-82.597.7171.253.70000109.9V502S500-V502 VanDerWaalsContact C-N 3.35Å; S500-V502 PolarHBondContact O-N 3.42Å
501S28.8Very low30.5Very low96 Ų96150.1 Ų150.167%0.67183%0.831SS**  trans-76.282176.256.30000111.4I499 F503I499-S501 PolarHBondContact O-N 2.95Å; S501-F503 PolarHBondContact O-N 3.25Å
502V35.8Very low30.7Very low122 Ų122144.7 Ų144.774%0.73983%0.825SS**  trans-76.9115169.3179.20000108.6S500 S504S500-V502 VanDerWaalsContact C-N 3.35Å; S500-V502 PolarHBondContact O-N 3.42Å; V502-S504 PolarHBondContact O-N 3.45Å
503F31.1Very low30.8Very low180 Ų180141.6 Ų141.679%0.78982%0.822SS**  trans-72.1113.4169.2-82.6-95.5000109.4S501 D505S501-F503 PolarHBondContact O-N 3.25Å; F503-D505 PolarHBondContact O-N 3.26Å
504S33.5Very low30.9Very low95 Ų95137.5 Ų137.566%0.66482%0.817SS**  trans-99.170.3-175.461.40000112V502 T506V502-S504 PolarHBondContact O-N 3.45Å; S504-T506 VanDerWaalsContact C-N 3.3Å; S504-T506 PolarHBondContact O-N 3.36Å
505D32.1Very low31.1Very low151 Ų151138.9 Ų138.981%0.80782%0.817SS**  trans-77.279.2173.8-73.2-32.3000111.3F503 P507F503-D505 PolarHBondContact O-N 3.26Å; D505-P507 WeakPolarHBondContact O-CD 3.44Å
506T36.5Very low31.2Very low119 Ų119138.5 Ų138.573%0.7381%0.813SS**  trans-91.8111.416553.60000109.6S504 M508S504-T506 VanDerWaalsContact C-N 3.3Å; S504-T506 PolarHBondContact O-N 3.36Å; T506-M508 PolarHBondContact O-N 3.26Å
507P31.8Very low31.4Very low120 Ų120142.1 Ų142.178%0.77982%0.819SS**  trans-68.6115.8176.627-32.9000110.3D505 V509D505-P507 WeakPolarHBondContact O-CD 3.44Å; P507-V509 PolarHBondContact O-N 3.13Å
508M25.4Very low31.8Very low184 Ų184138.2 Ų138.291%0.90681%0.813SS**  trans-68115.7163.5-86.7-175.3158.100109T506T506-M508 PolarHBondContact O-N 3.26Å
509V35.4Very low32Very low135 Ų135139.8 Ų139.882%0.81881%0.811SS**  trans-93.1133.2163.8-176.20000107.8P507P507-V509 PolarHBondContact O-N 3.13Å
510V36.1Very low32.4Very low207 Ų207137.7 Ų137.7100%1.25581%0.809SS**  trans-96.30174.8-179.80000109.4

Retrieved 510 of 510 residues in 274.3 ms (Link to these results)