A0A077Z0A9_TRITR Loading...

Ribosomal L1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0A9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 334 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
1M36.6Very low44.1Very low242 Ų242170.9 Ų170.9100%1.19284%0.838SS**  01210-122.7177.9175.900108.7
2K35.9Very low44.7Very low196 Ų196168.3 Ų168.385%0.85283%0.83SS**  trans-163.2100.2155.6-109175.2-173.1-179.50107.9
3V39.6Very low45.1Very low135 Ų135164.5 Ų164.582%0.81881%0.814SS**  trans-94.2122.2163.11750000105.2
4L40.9Very low45.7Very low143 Ų143158.9 Ų158.975%0.74980%0.798SS**  trans-127.2127.4169.8-79.1171.7000108.8
5V42.2Very low46Very low131 Ų131162.6 Ų162.679%0.79480%0.799SS**  trans-82129.4-174174.80000109.1
6F44.6Very low46.5Very low202 Ų202155.6 Ų155.689%0.88678%0.775SS**  trans-89.7126.3174.9-81.7-91.1000110.9
7P48.5Very low46.7Very low109 Ų109150.7 Ų150.771%0.70876%0.759SS**  trans-99.1111.3172.433.1-22.8000110.2
8D49.1Very low47Very low142 Ų142150 Ų15076%0.75976%0.757SS**  trans-171.232.3158.6-100.6-20.2000115.7Q10D8-Q10 PolarHBondContact O-N 3.5Å
9F48.1Very low47.3Very low178 Ų178149.7 Ų149.778%0.78175%0.753SS**  trans-81.7-12.5-175.2-128.5-90.8000115.4
10Q50.5Low47.7Very low184 Ų184147.7 Ų147.786%0.8674%0.744SS**THydrogen-bonded Turntrans-81.5-21.2-169.7-102.6-179.4-15.100115.3D8D8-Q10 PolarHBondContact O-N 3.5Å
11R49.1Very low47.9Very low218 Ų218145.1 Ų145.182%0.82373%0.732SS**THydrogen-bonded Turntrans-81.9-15.5-175.3-69.8-174.7177.3-171.40.6114.6
12L51.6Low48.9Very low140 Ų140137.2 Ų137.273%0.73370%0.701SS**SBendtrans-85.7-22-176.2-97.3141000114.4
13L50.2Low49.9Very low119 Ų119132 Ų13262%0.62369%0.685SS**Hα-helixtrans-80.6-21.2-169.9-69.7172.3000115
14S52.4Low50.7Low86 Ų86134.2 Ų134.260%0.60168%0.678SS**Hα-helixtrans-74.9-32.3-174.267.60000113.8
15R51Low51.5Low214 Ų214134 Ų13481%0.80867%0.672SS**Hα-helixtrans-75.3-29.8-179.7-79.8-174.7168.9-173.6-2.6113.6
16A53.9Low52.2Low51 Ų51131.1 Ų131.142%0.42166%0.661SS.*Hα-helixtrans-71.3-31.7-176.200000113.4L20A16-L20 PolarHBondContact O-N 3.44Å
17S50.5Low52.9Low72 Ų72129 Ų12950%0.50365%0.652SS.*Hα-helixtrans-68.4-39.9-174.5-177.50000113.5Q19 L20 L21S17-Q19 PolarHBondContact O-N 3.47Å; S17-L20 PolarHBondContact O-N 3.4Å; S17-L21 PolarHBondContact O-N 3.47Å
18L51.3Low53.8Low138 Ų138133.4 Ų133.472%0.72365%0.654SS**Hα-helixtrans-67.9-35.5-178.4-87.6156000113
19Q52.9Low54.5Low145 Ų145136.9 Ų136.968%0.67866%0.657SS**Hα-helixtrans-72.2-33.1178.1-70.8-176.4-15.500112.5S17 L21 S22 V23S17-Q19 PolarHBondContact O-N 3.47Å; Q19-L21 PolarHBondContact O-N 3.24Å; Q19-S22 PolarHBondContact O-OG 3.45Å; Q19-S22 VanDerWaalsContact O-OG 3.11Å; Q19-V23 VanDerWaalsContact O-CG2 3.32Å; Q19-V23 WeakPolarHBondContact O-CG2 3.32Å; Q19-V23 PolarHBondContact O-N 3.11Å
20L54.3Low55.8Low108 Ų108130.4 Ų130.457%0.56564%0.641SS**Hα-helixtrans-68.3-33.2179.5-93154.5000113.2A16 S17 R24A16-L20 PolarHBondContact O-N 3.44Å; S17-L20 PolarHBondContact O-N 3.4Å; L20-R24 PolarHBondContact O-N 3.36Å
21L53.3Low57.2Low95 Ų95126.7 Ų126.750%0.49763%0.63SS.*Hα-helixtrans-69.2-46.4178.5-85.8154000112S17 Q19 V23 R24 F25S17-L21 PolarHBondContact O-N 3.47Å; Q19-L21 PolarHBondContact O-N 3.24Å; L21-V23 VanDerWaalsContact C-N 3.32Å; L21-V23 PolarHBondContact O-N 3.37Å; L21-R24 PolarHBondContact O-N 3.48Å; L21-F25 HydrophobicContact CD2-CE2 4.47Å; L21-F25 VanDerWaalsContact O-CD2 3.3Å; L21-F25 WeakPolarHBondContact O-CD2 3.3Å; L21-F25 PolarHBondContact O-N 3.42Å
22S56.8Low58.7Low76 Ų76123.8 Ų123.853%0.53162%0.623SS.*Hα-helixtrans-63.2-37.5-178.764.20000112.5Q19 R24 F25 A26Q19-S22 PolarHBondContact O-OG 3.45Å; Q19-S22 VanDerWaalsContact O-OG 3.11Å; S22-R24 PolarHBondContact O-N 3.5Å; S22-F25 PolarHBondContact O-N 3.49Å; S22-A26 PolarHBondContact O-N 3.32Å
23V58Low60.1Low85 Ų85120.1 Ų120.152%0.51561%0.613SS.*Hα-helixtrans-65.3-37.4177.4176.50000112.3Q19 L21 A26 K27Q19-V23 VanDerWaalsContact O-CG2 3.32Å; Q19-V23 WeakPolarHBondContact O-CG2 3.32Å; Q19-V23 PolarHBondContact O-N 3.11Å; L21-V23 VanDerWaalsContact C-N 3.32Å; L21-V23 PolarHBondContact O-N 3.37Å; V23-A26 PolarHBondContact O-N 3.43Å; V23-K27 PolarHBondContact O-N 3.3Å
24R56.3Low61.7Low182 Ų182120.6 Ų120.669%0.68762%0.616SS**Hα-helixtrans-67.5-38.2178.7-76.6-176.1-178.6-174.11.6112.7L20 L21 S22 K27 R28L20-R24 PolarHBondContact O-N 3.36Å; L21-R24 PolarHBondContact O-N 3.48Å; S22-R24 PolarHBondContact O-N 3.5Å; R24-K27 PolarHBondContact O-N 3.47Å; R24-R28 PolarHBondContact O-N 3.24Å
25F56.5Low63.2Low139 Ų139124.5 Ų124.561%0.6162%0.618SS**Hα-helixtrans-67.1-39.6177.4-81-78.4000112.2L21 S22 R28 R29L21-F25 HydrophobicContact CD2-CE2 4.47Å; L21-F25 VanDerWaalsContact O-CD2 3.3Å; L21-F25 WeakPolarHBondContact O-CD2 3.3Å; L21-F25 PolarHBondContact O-N 3.42Å; S22-F25 PolarHBondContact O-N 3.49Å; F25-R28 PolarHBondContact O-N 3.3Å; F25-R29 PolarHBondContact O-N 3.29Å
26A58.3Low64.8Low70 Ų70119.4 Ų119.458%0.57961%0.606SS**Hα-helixtrans-61.3-44.717600000112.1S22 V23 R28 R29 G30S22-A26 PolarHBondContact O-N 3.32Å; V23-A26 PolarHBondContact O-N 3.43Å; A26-R28 VanDerWaalsContact C-N 3.33Å; A26-R28 PolarHBondContact O-N 3.31Å; A26-R29 PolarHBondContact O-N 3.49Å; A26-G30 PolarHBondContact O-N 3.34Å
27K57.9Low66.2Low159 Ų159119.5 Ų119.569%0.69161%0.606SS**Hα-helixtrans-59.6-38.8176.6-89.8-175.7175179.80113V23 R24 G30 V31V23-K27 PolarHBondContact O-N 3.3Å; R24-K27 PolarHBondContact O-N 3.47Å; K27-G30 PolarHBondContact O-N 3.34Å; K27-V31 WeakPolarHBondContact O-CG2 3.42Å; K27-V31 PolarHBondContact O-N 3.34Å
28R66.9Low67.9Low200 Ų200124.8 Ų124.876%0.75562%0.615SS**Hα-helixtrans-67.4-39179.7-85.6-174.6172.8-177.6-1.3113.3R24 F25 A26 K32R24-R28 PolarHBondContact O-N 3.24Å; F25-R28 PolarHBondContact O-N 3.3Å; A26-R28 VanDerWaalsContact C-N 3.33Å; A26-R28 PolarHBondContact O-N 3.31Å; R28-K32 PolarHBondContact O-N 3.36Å
29R63.9Low69.5Low216 Ų216123 Ų12382%0.81560%0.603SS**Hα-helixtrans-63.4-41.2177.3-85-173.3159178.6-4.8111.8F25 A26 A33F25-R29 PolarHBondContact O-N 3.29Å; A26-R29 PolarHBondContact O-N 3.49Å; R29-A33 PolarHBondContact O-N 2.89Å
30G77.2Confident70.9Confident42 Ų42118.3 Ų118.343%0.43359%0.589SS.*Hα-helixtrans-63.6-47178.600000113.7A26 K27 K32 A33 L34A26-G30 PolarHBondContact O-N 3.34Å; K27-G30 PolarHBondContact O-N 3.34Å; G30-K32 PolarHBondContact O-N 3.28Å; G30-A33 PolarHBondContact O-N 3.44Å; G30-L34 PolarHBondContact O-N 3.42Å; G30-L34 VanDerWaalsContact O-N 3.1Å
31V80Confident72.2Confident105 Ų105120.9 Ų120.964%0.63660%0.596SS**Hα-helixtrans-66-41.3-176.5176.90000112.2K27 L34 R35K27-V31 WeakPolarHBondContact O-CG2 3.42Å; K27-V31 PolarHBondContact O-N 3.34Å; V31-L34 PolarHBondContact O-N 3.49Å; V31-R35 PolarHBondContact O-N 3Å
32K79.3Confident73.2Confident157 Ų157120.7 Ų120.768%0.68360%0.595SS**Hα-helixtrans-64.5-42.4179.2-170.1178.6179.1-178.10111.5R28 G30 L34 R35 L36R28-K32 PolarHBondContact O-N 3.36Å; G30-K32 PolarHBondContact O-N 3.28Å; K32-L34 VanDerWaalsContact C-N 3.31Å; K32-L34 PolarHBondContact O-N 3.1Å; K32-R35 PolarHBondContact O-N 3.36Å; K32-L36 PolarHBondContact O-N 2.89Å; K32-L36 VanDerWaalsContact O-N 3.1Å
33A81.6Confident73.7Confident64 Ų64118.8 Ų118.853%0.52959%0.588SS.*Hα-helixtrans-61.7-40.2175.900000111.8R29 G30 L36 A37R29-A33 PolarHBondContact O-N 2.89Å; G30-A33 PolarHBondContact O-N 3.44Å; A33-L36 PolarHBondContact O-N 2.85Å; A33-A37 WeakPolarHBondContact O-CB 3.37Å; A33-A37 PolarHBondContact O-N 3.1Å
34L83.2Confident74Confident129 Ų129122.2 Ų122.268%0.67560%0.595SS**Hα-helixtrans-67.3-39.1178.9-136.3139.3000112.4G30 V31 K32 R38G30-L34 PolarHBondContact O-N 3.42Å; G30-L34 VanDerWaalsContact O-N 3.1Å; V31-L34 PolarHBondContact O-N 3.49Å; K32-L34 VanDerWaalsContact C-N 3.31Å; K32-L34 PolarHBondContact O-N 3.1Å; L34-R38 WeakPolarHBondContact O-CB 3.31Å; L34-R38 PolarHBondContact O-N 2.96Å
35R84.5Confident74.3Confident168 Ų168121.1 Ų121.163%0.63460%0.596SS**Hα-helixtrans-63.9-46.1174.6-163-177.4100.8-174.7-0.1111.7V31 K32 A37 R38 E39V31-R35 PolarHBondContact O-N 3Å; K32-R35 PolarHBondContact O-N 3.36Å; R35-A37 PolarHBondContact O-N 3.37Å; R35-R38 WeakPolarHBondContact O-CB 3.39Å; R35-R38 PolarHBondContact O-N 3.46Å; R35-R38 VanDerWaalsContact O-N 3.15Å; R35-E39 IonicContact CZ-OE1 3.62Å; R35-E39 IonicContact NE-OE1 2.89Å; R35-E39 PolarHBondContact NE-OE1 2.99Å; R35-E39 IonicContact NH2-OE1 3.61Å; R35-E39 WeakPolarHBondContact O-CG 3.44Å; R35-E39 PolarHBondContact O-N 3.49Å
36L83.9Confident74.3Confident106 Ų106120.9 Ų120.956%0.55560%0.595SS**Hα-helixtrans-66.9-37.7-179.1-147.6153.8000111.4K32 A33 E39 A40K32-L36 PolarHBondContact O-N 2.89Å; K32-L36 VanDerWaalsContact O-N 3.1Å; A33-L36 PolarHBondContact O-N 2.85Å; L36-E39 PolarHBondContact O-N 2.96Å; L36-A40 VanDerWaalsContact O-CB 3.31Å; L36-A40 WeakPolarHBondContact O-CB 3.5Å; L36-A40 PolarHBondContact O-N 3.24Å
37A84.1Confident74.1Confident53 Ų53120.3 Ų120.344%0.43859%0.59SS.*Hα-helixtrans-65.3-36.9171.700000112.7A33 R35 K41A33-A37 WeakPolarHBondContact O-CB 3.37Å; A33-A37 PolarHBondContact O-N 3.1Å; R35-A37 PolarHBondContact O-N 3.37Å; A37-K41 WeakPolarHBondContact O-CB 3.48Å; A37-K41 WeakPolarHBondContact O-CG 3.41Å; A37-K41 PolarHBondContact O-N 3.48Å
38R86.4Confident73.9Confident184 Ų184116 Ų11669%0.69458%0.584SS**Hα-helixtrans-68.9-44.7175.4-171.7176.4179.3161.7-0.6111.6L34 R35 K41 L42L34-R38 WeakPolarHBondContact O-CB 3.31Å; L34-R38 PolarHBondContact O-N 2.96Å; R35-R38 WeakPolarHBondContact O-CB 3.39Å; R35-R38 PolarHBondContact O-N 3.46Å; R35-R38 VanDerWaalsContact O-N 3.15Å; R38-K41 PolarHBondContact O-N 3.15Å; R38-L42 WeakPolarHBondContact O-CB 3.33Å; R38-L42 PolarHBondContact O-N 2.87Å
39E84.4Confident73.3Confident99 Ų99112.8 Ų112.846%0.46358%0.581SS.*Hα-helixtrans-61.2-43.6174.7-75.9169.6-166.700111R35 L36 L42 G43R35-E39 IonicContact CZ-OE1 3.62Å; R35-E39 IonicContact NE-OE1 2.89Å; R35-E39 PolarHBondContact NE-OE1 2.99Å; R35-E39 IonicContact NH2-OE1 3.61Å; R35-E39 WeakPolarHBondContact O-CG 3.44Å; R35-E39 PolarHBondContact O-N 3.49Å; L36-E39 PolarHBondContact O-N 2.96Å; E39-L42 PolarHBondContact O-N 2.79Å; E39-G43 PolarHBondContact O-N 3.31Å
40A82.1Confident72.6Confident47 Ų47108.6 Ų108.639%0.38858%0.575SS.*Hα-helixtrans-64.9-38.9175.100000112.8L36 K44L36-A40 VanDerWaalsContact O-CB 3.31Å; L36-A40 WeakPolarHBondContact O-CB 3.5Å; L36-A40 PolarHBondContact O-N 3.24Å; A40-K44 WeakPolarHBondContact O-CB 3.43Å; A40-K44 VanDerWaalsContact O-CG 3.26Å; A40-K44 WeakPolarHBondContact O-CG 3.26Å; A40-K44 PolarHBondContact O-N 2.9Å
41K81.5Confident71.1Confident162 Ų162114.9 Ų114.970%0.70459%0.59SS**Hα-helixtrans-65-40.5172.3-80.3-175.3179.1-175.60111.8A37 R38 K45A37-K41 WeakPolarHBondContact O-CB 3.48Å; A37-K41 WeakPolarHBondContact O-CG 3.41Å; A37-K41 PolarHBondContact O-N 3.48Å; R38-K41 PolarHBondContact O-N 3.15Å; K41-K45 WeakPolarHBondContact O-CB 3.46Å; K41-K45 PolarHBondContact O-N 3.33Å
42L75.5Confident69.5Low91 Ų91113.5 Ų113.548%0.47658%0.583SS.*Hα-helixtrans-67.6-42.5177.3-117.1149.9000111.6R38 E39 K45 K46R38-L42 WeakPolarHBondContact O-CB 3.33Å; R38-L42 PolarHBondContact O-N 2.87Å; E39-L42 PolarHBondContact O-N 2.79Å; L42-K45 PolarHBondContact O-N 3.5Å; L42-K46 WeakPolarHBondContact O-CB 3.32Å; L42-K46 WeakPolarHBondContact O-CG 3.19Å; L42-K46 PolarHBondContact O-N 2.81Å
43G66.4Low67.8Low37 Ų37114.5 Ų114.538%0.38159%0.588SS.*Hα-helixtrans-63.8-44.4174.600000112.2E39 K45 K46 A47E39-G43 PolarHBondContact O-N 3.31Å; G43-K45 VanDerWaalsContact C-N 3.35Å; G43-K45 PolarHBondContact O-N 2.8Å; G43-K46 PolarHBondContact O-N 3.5Å; G43-A47 VanDerWaalsContact O-CB 3.32Å; G43-A47 WeakPolarHBondContact O-CB 3.07Å; G43-A47 PolarHBondContact O-N 3.3Å
44K64.6Low65.9Low156 Ų156119.5 Ų119.568%0.67860%0.598SS**Hα-helixtrans-64.5-37.3172.3-73.5178.8-178-172.60112.3A40 A47 A48A40-K44 WeakPolarHBondContact O-CB 3.43Å; A40-K44 VanDerWaalsContact O-CG 3.26Å; A40-K44 WeakPolarHBondContact O-CG 3.26Å; A40-K44 PolarHBondContact O-N 2.9Å; K44-A47 PolarHBondContact O-N 2.83Å; K44-A48 WeakPolarHBondContact O-CB 3.4Å; K44-A48 PolarHBondContact O-N 3.47Å
45K61.7Low64Low160 Ų160120.8 Ų120.870%0.69660%0.598SS**Hα-helixtrans-69.7-35.9176.4-163.8175.6-176-177.80111.4K41 L42 G43 L49K41-K45 WeakPolarHBondContact O-CB 3.46Å; K41-K45 PolarHBondContact O-N 3.33Å; L42-K45 PolarHBondContact O-N 3.5Å; G43-K45 VanDerWaalsContact C-N 3.35Å; G43-K45 PolarHBondContact O-N 2.8Å; K45-L49 WeakPolarHBondContact O-CB 3.49Å; K45-L49 PolarHBondContact O-N 3.06Å
46K56.2Low62.4Low134 Ų134119.2 Ų119.258%0.58360%0.602SS**Hα-helixtrans-67.4-48.1170.6-75.9-175.2175.2-169.30111.3L42 G43 A48 L49 D50L42-K46 WeakPolarHBondContact O-CB 3.32Å; L42-K46 WeakPolarHBondContact O-CG 3.19Å; L42-K46 PolarHBondContact O-N 2.81Å; G43-K46 PolarHBondContact O-N 3.5Å; K46-A48 VanDerWaalsContact C-N 3.34Å; K46-A48 PolarHBondContact O-N 3.34Å; K46-L49 CarbonylContact O-C 3.55Å; K46-L49 WeakPolarHBondContact O-CA 3.36Å; K46-L49 WeakPolarHBondContact O-CB 3.3Å; K46-L49 PolarHBondContact O-N 3.42Å; K46-L49 VanDerWaalsContact O-N 3.12Å; K46-D50 WeakPolarHBondContact O-CB 3.4Å; K46-D50 VanDerWaalsContact O-CG 3.28Å; K46-D50 PolarHBondContact O-N 3.47Å
47A54.7Low61.1Low57 Ų57120.7 Ų120.747%0.47160%0.6SS.*Hα-helixtrans-67.6-29.3177.900000113.9G43 K44G43-A47 VanDerWaalsContact O-CB 3.32Å; G43-A47 WeakPolarHBondContact O-CB 3.07Å; G43-A47 PolarHBondContact O-N 3.3Å; K44-A47 PolarHBondContact O-N 2.83Å
48A54.7Low60.2Low70 Ų70122.5 Ų122.558%0.57960%0.602SS**Hα-helixtrans-79.4-29.3171.700000112K44 K46 K51K44-A48 WeakPolarHBondContact O-CB 3.4Å; K44-A48 PolarHBondContact O-N 3.47Å; K46-A48 VanDerWaalsContact C-N 3.34Å; K46-A48 PolarHBondContact O-N 3.34Å; A48-K51 PolarHBondContact O-N 3.43Å
49L54.2Low59.5Low131 Ų131113.9 Ų113.969%0.68657%0.57SS**Hα-helixtrans-73.7-28.7169.8-170.869.6000111.7K45 K46 K51 P52K45-L49 WeakPolarHBondContact O-CB 3.49Å; K45-L49 PolarHBondContact O-N 3.06Å; K46-L49 CarbonylContact O-C 3.55Å; K46-L49 WeakPolarHBondContact O-CA 3.36Å; K46-L49 WeakPolarHBondContact O-CB 3.3Å; K46-L49 PolarHBondContact O-N 3.42Å; K46-L49 VanDerWaalsContact O-N 3.12Å; L49-K51 PolarHBondContact O-N 3.28Å; L49-P52 WeakPolarHBondContact O-CD 3.09Å
50D49.5Very low59.3Low128 Ų128109.9 Ų109.968%0.68455%0.552SS**THydrogen-bonded Turntrans-781173.4-74.4-19.7000113.1K46 P52K46-D50 WeakPolarHBondContact O-CB 3.4Å; K46-D50 VanDerWaalsContact O-CG 3.28Å; K46-D50 PolarHBondContact O-N 3.47Å; D50-P52 VanDerWaalsContact O-CD 3.29Å; D50-P52 WeakPolarHBondContact O-CD 3.48Å
51K45Very low58.9Low175 Ų175107.6 Ų107.676%0.76153%0.533SS*.SBendtrans-11060.2161.4-63.6-173.9-176.8-172.60110.9A48 L49A48-K51 PolarHBondContact O-N 3.43Å; L49-K51 PolarHBondContact O-N 3.28Å
52P45.5Very low58.6Low76 Ų76104.4 Ų104.449%0.49452%0.523SS..  trans-75.7128.1157.133.7-21.2000104.5L49 D50 F54L49-P52 WeakPolarHBondContact O-CD 3.09Å; D50-P52 VanDerWaalsContact O-CD 3.29Å; D50-P52 WeakPolarHBondContact O-CD 3.48Å; P52-F54 PolarHBondContact O-N 2.76Å
53F44.1Very low58.9Low177 Ų177105.7 Ų105.778%0.77652%0.522SS*.  29.633.373.7-82.1-114.8000113.5F55F53-F55 HydrophobicContact CB-CD2 4.48Å; F53-F55 AromaticContact CD1-CD2 3.27Å; F53-F55 HydrophobicContact CD1-CD2 3.27Å; F53-F55 AromaticContact CD1-CE2 3.11Å; F53-F55 HydrophobicContact CD1-CE2 3.11Å; F53-F55 HydrophobicContact CD1-CG 4.43Å; F53-F55 HydrophobicContact CD1-CZ 4.11Å; F53-F55 AromaticContact CE1-CD2 3.77Å; F53-F55 HydrophobicContact CE1-CD2 3.77Å; F53-F55 AromaticContact CE1-CE2 3.04Å; F53-F55 HydrophobicContact CE1-CE2 3.04Å; F53-F55 AromaticContact CE1-CZ 3.74Å; F53-F55 HydrophobicContact CE1-CZ 3.74Å; F53-F55 HydrophobicContact CG-CD2 4.13Å; F53-F55 HydrophobicContact CG-CE2 4.21Å; F53-F55 HydrophobicContact CZ-CE2 4.07Å; F53-F55 HydrophobicContact CZ-CZ 4.4Å; F53-F55 PolarHBondContact O-N 3.39Å
54F41.7Very low59.4Low169 Ų169109.9 Ų109.974%0.74153%0.531SS*.  trans-64.851.5147.4-144-84.4000106.8P52 L56P52-F54 PolarHBondContact O-N 2.76Å; F54-L56 PolarHBondContact O-N 2.75Å
55F44.4Very low60.2Low156 Ų156102.7 Ų102.768%0.68450%0.5SS*.  trans-53.2115165.1-95.7-58.8000104.3F53 R57F53-F55 HydrophobicContact CB-CD2 4.48Å; F53-F55 AromaticContact CD1-CD2 3.27Å; F53-F55 HydrophobicContact CD1-CD2 3.27Å; F53-F55 AromaticContact CD1-CE2 3.11Å; F53-F55 HydrophobicContact CD1-CE2 3.11Å; F53-F55 HydrophobicContact CD1-CG 4.43Å; F53-F55 HydrophobicContact CD1-CZ 4.11Å; F53-F55 AromaticContact CE1-CD2 3.77Å; F53-F55 HydrophobicContact CE1-CD2 3.77Å; F53-F55 AromaticContact CE1-CE2 3.04Å; F53-F55 HydrophobicContact CE1-CE2 3.04Å; F53-F55 AromaticContact CE1-CZ 3.74Å; F53-F55 HydrophobicContact CE1-CZ 3.74Å; F53-F55 HydrophobicContact CG-CD2 4.13Å; F53-F55 HydrophobicContact CG-CE2 4.21Å; F53-F55 HydrophobicContact CZ-CE2 4.07Å; F53-F55 HydrophobicContact CZ-CZ 4.4Å; F53-F55 PolarHBondContact O-N 3.39Å; F55-R57 VanDerWaalsContact C-N 3.31Å; F55-R57 PolarHBondContact O-N 3.12Å
56L50Low61.3Low135 Ų13597.2 Ų97.271%0.70749%0.485SS*.  trans-24.294.6177.7-77.476.3000109.5F54 L58F54-L56 PolarHBondContact O-N 2.75Å; L56-L58 HydrophobicContact CB-CD1 4.12Å; L56-L58 PolarHBondContact O-N 2.89Å
57R57.6Low62.5Low138 Ų13892.1 Ų92.152%0.52146%0.462SS..  trans-68.290.6153.3-171.5170.2175.2-165.3-12.8101.9F55 S59 E247F55-R57 VanDerWaalsContact C-N 3.31Å; F55-R57 PolarHBondContact O-N 3.12Å; R57-S59 PolarHBondContact O-N 3.46Å; R57-E247 WeakPolarHBondContact CD-OE2 3.31Å; R57-E247 IonicContact CZ-OE1 2.85Å; R57-E247 IonicContact CZ-OE2 3.82Å; R57-E247 IonicContact NE-OE1 3.56Å; R57-E247 IonicContact NE-OE2 2.67Å; R57-E247 PolarHBondContact NE-OE2 3.5Å; R57-E247 IonicContact NH1-OE1 2.7Å; R57-E247 PolarHBondContact NH1-OE1 3.38Å; R57-E247 IonicContact NH1-OE2 2.93Å; R57-E247 PolarHBondContact NH1-OE2 3.37Å; R57-E247 IonicContact NH2-OE1 2.59Å; R57-E247 PolarHBondContact NH2-OE1 3.23Å; R57-E247 IonicContact NH2-OE2 3.87Å
58L63.4Low63.9Low90 Ų9092.5 Ų92.547%0.47145%0.453SS..  trans-48.1134.5175.4-8994.4000105.9L56 I60 L62L56-L58 HydrophobicContact CB-CD1 4.12Å; L56-L58 PolarHBondContact O-N 2.89Å; L58-I60 PolarHBondContact O-N 3.25Å; L58-L62 HydrophobicContact CD2-CB 4.24Å
59S73.4Confident65Low4 Ų495 Ų953%0.02845%0.453CS..  trans-48.1143.9173.3380000108.9R57 A61 L62 R63 D246R57-S59 PolarHBondContact O-N 3.46Å; S59-A61 PolarHBondContact O-N 3.45Å; S59-L62 PolarHBondContact O-N 3.49Å; S59-L62 WeakPolarHBondContact OG-CB 3.5Å; S59-L62 WeakPolarHBondContact OG-CD1 3.33Å; S59-L62 WeakPolarHBondContact OG-CG 3.48Å; S59-R63 PolarHBondContact O-N 2.93Å; S59-D246 WeakPolarHBondContact CA-OD1 3.44Å; S59-D246 WeakPolarHBondContact CB-OD1 2.83Å; S59-D246 WeakPolarHBondContact CB-OD2 3.42Å
60I78.9Confident66Low14 Ų1493.8 Ų93.87%0.07245%0.453CS..G310 helixtrans-55.7-36176-59.9175.4000108.7L58 L62 R63 K244 D246 V254L58-I60 PolarHBondContact O-N 3.25Å; I60-L62 PolarHBondContact O-N 2.89Å; I60-R63 WeakPolarHBondContact O-CB 3.46Å; I60-R63 PolarHBondContact O-N 3.33Å; I60-K244 HydrophobicContact CD1-CB 3.85Å; I60-K244 HydrophobicContact CD1-CD 4.35Å; I60-D246 PolarHBondContact N-OD1 2.78Å; I60-V254 HydrophobicContact CG2-CB 3.85Å; I60-V254 HydrophobicContact CG2-CG1 4.27Å; I60-V254 HydrophobicContact CG2-CG2 3.91Å
61A74Confident67.5Low0 Ų091 Ų910%044%0.438CS..G310 helixtrans-60.7-37.2175.100000114S59 R63 R67 R121 W252S59-A61 PolarHBondContact O-N 3.45Å; A61-R63 VanDerWaalsContact C-N 3.33Å; A61-R67 HydrophobicContact CB-CB 4.22Å; A61-R67 PolarHBondContact O-N 3.18Å; A61-R121 PolarHBondContact O-NH2 3.21Å; A61-W252 HydrophobicContact CB-CE3 3.66Å; A61-W252 HydrophobicContact CB-CZ3 4.2Å
62L75.6Confident69.3Low94 Ų9488.9 Ų88.949%0.49244%0.442SS..G310 helixtrans-84-2.5179.3-68.9175.8000114.1L58 S59 I60L58-L62 HydrophobicContact CD2-CB 4.24Å; S59-L62 PolarHBondContact O-N 3.49Å; S59-L62 WeakPolarHBondContact OG-CB 3.5Å; S59-L62 WeakPolarHBondContact OG-CD1 3.33Å; S59-L62 WeakPolarHBondContact OG-CG 3.48Å; I60-L62 PolarHBondContact O-N 2.89Å
63R81.3Confident71.2Confident119 Ų11992.9 Ų92.945%0.44945%0.454SS..SBendtrans-67.8145172.3-64.8178.7-178.8-170.7-5.4109.8S59 I60 A61 P65 A66 R121S59-R63 PolarHBondContact O-N 2.93Å; I60-R63 WeakPolarHBondContact O-CB 3.46Å; I60-R63 PolarHBondContact O-N 3.33Å; A61-R63 VanDerWaalsContact C-N 3.33Å; R63-P65 CarbonylContact O-C 3.54Å; R63-A66 WeakPolarHBondContact O-CA 3.3Å; R63-A66 PolarHBondContact O-N 3.23Å; R63-R121 PolarHBondContact O-NH1 2.98Å
64H76.6Confident73.2Confident124 Ų12486 Ų8657%0.57443%0.425SS*.SBendtrans-59.3131.4176.6-174.5-78.8000111.7A303 Y305H64-A303 PolarHBondContact CE1-O 2.89Å; H64-Y305 AromaticContact CE1-CD1 3.48Å; H64-Y305 VanDerWaalsContact CE1-CD1 3.48Å; H64-Y305 WeakPolarHBondContact CE1-CD1 3.43Å; H64-Y305 AromaticContact CE1-CE1 3.8Å; H64-Y305 AromaticContact NE2-CD1 3.73Å; H64-Y305 AromaticContact NE2-CE1 3.55Å
65P81.3Confident75.3Confident6 Ų682.6 Ų82.64%0.03941%0.414CS..SBendcis-74.2126.9-6.628.3-30.6000111R63 R121 V296 Y305R63-P65 CarbonylContact O-C 3.54Å; P65-R121 PolarHBondContact O-NH1 3.3Å; P65-R121 PolarHBondContact O-NH2 2.96Å; P65-V296 HydrophobicContact CB-CG1 4.4Å; P65-V296 HydrophobicContact CG-CB 4.26Å; P65-V296 HydrophobicContact CG-CG1 3.63Å; P65-Y305 HydrophobicContact CB-CD1 3.67Å; P65-Y305 HydrophobicContact CB-CD2 3.62Å; P65-Y305 HydrophobicContact CB-CE1 3.71Å; P65-Y305 HydrophobicContact CB-CE2 3.65Å; P65-Y305 HydrophobicContact CB-CG 3.6Å; P65-Y305 HydrophobicContact CG-CD1 4.45Å; P65-Y305 HydrophobicContact CG-CD2 4.12Å; P65-Y305 HydrophobicContact CG-CG 4.03Å
66A84.6Confident77.2Confident45 Ų4578.7 Ų78.737%0.37241%0.41SS..PPolyproline II helixtrans-59.2143.2-17700000110.4R63 F68 R294R63-A66 WeakPolarHBondContact O-CA 3.3Å; R63-A66 PolarHBondContact O-N 3.23Å; A66-F68 PolarHBondContact O-N 3.12Å; A66-R294 PolarHBondContact O-NH1 3.42Å; A66-R294 PolarHBondContact O-NH2 3.43Å
67R83Confident78.8Confident26 Ų2680 Ų8010%0.09841%0.413CS..PPolyproline II helixtrans-52.9133.1173.1-170.8179-171.9122.8-13.6108.9A61 D123 L124 D293 R294A61-R67 HydrophobicContact CB-CB 4.22Å; A61-R67 PolarHBondContact O-N 3.18Å; R67-D123 HydrophobicContact CG-CB 4.34Å; R67-L124 PolarHBondContact NH1-O 3.2Å; R67-L124 PolarHBondContact NH2-O 2.84Å; R67-D293 IonicContact CZ-OD2 3.97Å; R67-D293 IonicContact NE-OD2 2.69Å; R67-D293 IonicContact NH2-OD2 3.92Å; R67-D293 PolarHBondContact NH2-OD2 3.05Å; R67-R294 VanDerWaalsContact CA-NH2 3.32Å
68F82.6Confident80.3Confident66 Ų6675.9 Ų75.929%0.28940%0.404SS..PPolyproline II helixtrans-88.9124.5174.9173-102000108.7A66 P70 L74 L89 P90A66-F68 PolarHBondContact O-N 3.12Å; F68-P70 HydrophobicContact CE1-CB 4.13Å; F68-L74 HydrophobicContact CE2-CD1 3.61Å; F68-L74 HydrophobicContact CZ-CD1 3.4Å; F68-L89 HydrophobicContact CE1-CD2 4.11Å; F68-L89 HydrophobicContact CZ-CD2 3.75Å; F68-P90 HydrophobicContact CB-CG 4.46Å; F68-P90 HydrophobicContact CD1-CG 4.02Å; F68-P90 HydrophobicContact CD2-CG 3.56Å; F68-P90 HydrophobicContact CE1-CG 4.09Å; F68-P90 HydrophobicContact CE2-CG 3.65Å; F68-P90 HydrophobicContact CG-CG 3.75Å; F68-P90 HydrophobicContact CZ-CG 3.92Å
69E77.4Confident81.3Confident123 Ų12380.4 Ų80.458%0.57542%0.42SS*.PPolyproline II helixtrans-97.5122.1169.2-71.5-180-173.100108.1N71 W252E69-N71 PolarHBondContact O-N 3.39Å; E69-N71 VanDerWaalsContact O-N 3.11Å; E69-W252 WeakPolarHBondContact OE1-CH2 3.37Å; E69-W252 VanDerWaalsContact OE1-CZ2 3.3Å; E69-W252 WeakPolarHBondContact OE1-CZ2 3.4Å
70P75.3Confident82Confident104 Ų10485.1 Ų85.168%0.67545%0.445SS*.  trans-67.8111177.227-32000109.7F68F68-P70 HydrophobicContact CE1-CB 4.13Å
71N82Confident82.6Confident71 Ų7192 Ų9238%0.3848%0.482SS..  trans-91129168.8176.33.4000108.8E69 E73 L74E69-N71 PolarHBondContact O-N 3.39Å; E69-N71 VanDerWaalsContact O-N 3.11Å; N71-E73 PolarHBondContact ND2-OE2 3.19Å; N71-E73 PolarHBondContact O-N 3.36Å; N71-E73 VanDerWaalsContact O-N 3.11Å; N71-E73 PolarHBondContact OD1-N 3.1Å; N71-E73 VanDerWaalsContact OD1-N 3.08Å; N71-L74 HydrophobicContact CB-CD1 4.05Å; N71-L74 HydrophobicContact CB-CG 3.99Å; N71-L74 WeakPolarHBondContact O-CB 3.2Å; N71-L74 WeakPolarHBondContact O-CG 3.32Å; N71-L74 PolarHBondContact O-N 3.28Å; N71-L74 VanDerWaalsContact O-N 3.09Å
72P82Confident83.4Confident129 Ų12998.3 Ų98.384%0.83852%0.52SS*.THydrogen-bonded Turntrans-58.8-18.5177.224-36.7000114.7L74P72-L74 VanDerWaalsContact C-N 3.26Å; P72-L74 PolarHBondContact O-N 3.38Å
73E85.9Confident84.1Confident160 Ų16099.7 Ų99.775%0.74852%0.519SS*.THydrogen-bonded Turntrans-77.1-9.9177.3-60.8175.6159.300113.7N71N71-E73 PolarHBondContact ND2-OE2 3.19Å; N71-E73 PolarHBondContact O-N 3.36Å; N71-E73 VanDerWaalsContact O-N 3.11Å; N71-E73 PolarHBondContact OD1-N 3.1Å; N71-E73 VanDerWaalsContact OD1-N 3.08Å
74L86.3Confident84.5Confident33 Ų33101.7 Ų101.717%0.17353%0.528CS..  trans-74.5134.4-177.3-63.4172.6000111.6F68 N71 P72 P86 L89F68-L74 HydrophobicContact CE2-CD1 3.61Å; F68-L74 HydrophobicContact CZ-CD1 3.4Å; N71-L74 HydrophobicContact CB-CD1 4.05Å; N71-L74 HydrophobicContact CB-CG 3.99Å; N71-L74 WeakPolarHBondContact O-CB 3.2Å; N71-L74 WeakPolarHBondContact O-CG 3.32Å; N71-L74 PolarHBondContact O-N 3.28Å; N71-L74 VanDerWaalsContact O-N 3.09Å; P72-L74 VanDerWaalsContact C-N 3.26Å; P72-L74 PolarHBondContact O-N 3.38Å; L74-P86 WeakPolarHBondContact CD2-O 2.93Å; L74-L89 HydrophobicContact CB-CD2 3.99Å; L74-L89 HydrophobicContact CB-CG 4.33Å; L74-L89 HydrophobicContact CD1-CD2 4.08Å
75L86.7Confident85Confident98 Ų98102.4 Ų102.451%0.51353%0.532SS..BIsolated β-bridgetrans-79.9145.7176.9-61.8175.8000110.6S87 Y88 L89L75-S87 PolarHBondContact N-O 3.48Å; L75-Y88 HydrophobicContact CB-CD1 3.47Å; L75-Y88 VanDerWaalsContact CB-CD1 3.47Å; L75-Y88 HydrophobicContact CB-CE1 3.48Å; L75-Y88 VanDerWaalsContact CB-CE1 3.48Å; L75-Y88 HydrophobicContact CB-CG 4.38Å; L75-Y88 HydrophobicContact CD1-CE1 3.75Å; L75-Y88 HydrophobicContact CG-CE1 4.25Å; L75-Y88 CarbonylContact O-C 3.52Å; L75-Y88 VanDerWaalsContact O-CA 3.24Å; L75-Y88 WeakPolarHBondContact O-CA 3.27Å; L75-L89 PolarHBondContact O-N 2.98Å
76A84Confident85.2Confident73 Ų73105.8 Ų105.860%0.60355%0.553SS**SBendtrans-70.8-50.3-174.800000113
77E83.7Confident85.4Confident162 Ų162106.1 Ų106.176%0.75755%0.553SS**SBendtrans-134.3143.4-177.1-66.5-176173.600110.5F79 Y88E77-F79 PolarHBondContact O-N 2.97Å; E77-Y88 VanDerWaalsContact O-CE1 3.3Å; E77-Y88 WeakPolarHBondContact O-CE1 3.45Å
78P87.3Confident85.7Confident53 Ų53106.8 Ų106.834%0.34456%0.556SS.*  trans-65.1133.1175.328.5-34.1000111W83 Y88P78-W83 HydrophobicContact CB-CB 3.85Å; P78-W83 HydrophobicContact CB-CD2 3.43Å; P78-W83 VanDerWaalsContact CB-CD2 3.43Å; P78-W83 HydrophobicContact CB-CE3 3.75Å; P78-W83 HydrophobicContact CB-CG 3.48Å; P78-W83 VanDerWaalsContact CB-CG 3.48Å; P78-W83 HydrophobicContact CB-CZ3 4.43Å; P78-W83 HydrophobicContact CG-CD2 3.85Å; P78-W83 HydrophobicContact CG-CE3 4.09Å; P78-W83 HydrophobicContact CG-CG 4.3Å; P78-W83 HydrophobicContact CG-CH2 4.33Å; P78-W83 HydrophobicContact CG-CZ2 4.11Å; P78-W83 HydrophobicContact CG-CZ3 4.31Å; P78-Y88 HydrophobicContact CB-CD1 4.4Å; P78-Y88 HydrophobicContact CB-CE1 4.15Å
79F85.7Confident86Confident184 Ų184107.2 Ų107.281%0.80756%0.561SS**SBendtrans-79-37.6178.3177.4-101.2000112.6E77E77-F79 PolarHBondContact O-N 2.97Å
80D88.6Confident86.6Confident104 Ų104103.5 Ų103.556%0.55655%0.547SS*.SBendtrans-107.7165.2-177.4-70.9-47.1000111.9V82D80-V82 PolarHBondContact O-N 2.95Å
81D90.5Very high87.3Confident158 Ų158106.5 Ų106.585%0.84555%0.545SS*.SBendtrans-67.7-20.6174.1-66.7-36.8000113.6W83D81-W83 VanDerWaalsContact C-CE3 3.5Å; D81-W83 VanDerWaalsContact O-CE3 3.32Å; D81-W83 WeakPolarHBondContact O-CZ3 2.98Å
82V90.9Very high87.8Confident132 Ų132106.8 Ų106.880%0.855%0.549SS*.SBendtrans-121.6114.2176.8-178.50000107.9D80D80-V82 PolarHBondContact O-N 2.95Å
83W90.1Very high88.4Confident123 Ų123102.8 Ų102.847%0.46652%0.518SS..  trans-136.4160.6-178.265.993.9000111.1P78 D81 Y88P78-W83 HydrophobicContact CB-CB 3.85Å; P78-W83 HydrophobicContact CB-CD2 3.43Å; P78-W83 VanDerWaalsContact CB-CD2 3.43Å; P78-W83 HydrophobicContact CB-CE3 3.75Å; P78-W83 HydrophobicContact CB-CG 3.48Å; P78-W83 VanDerWaalsContact CB-CG 3.48Å; P78-W83 HydrophobicContact CB-CZ3 4.43Å; P78-W83 HydrophobicContact CG-CD2 3.85Å; P78-W83 HydrophobicContact CG-CE3 4.09Å; P78-W83 HydrophobicContact CG-CG 4.3Å; P78-W83 HydrophobicContact CG-CH2 4.33Å; P78-W83 HydrophobicContact CG-CZ2 4.11Å; P78-W83 HydrophobicContact CG-CZ3 4.31Å; D81-W83 VanDerWaalsContact C-CE3 3.5Å; D81-W83 VanDerWaalsContact O-CE3 3.32Å; D81-W83 WeakPolarHBondContact O-CZ3 2.98Å; W83-Y88 HydrophobicContact CB-CD2 4.4Å; W83-Y88 HydrophobicContact CB-CE2 3.73Å; W83-Y88 AromaticContact CD1-CD2 3.76Å; W83-Y88 AromaticContact CD1-CE2 3.97Å; W83-Y88 HydrophobicContact CG-CD2 4.4Å; W83-Y88 HydrophobicContact CG-CE2 4.18Å
84Y89.8Confident88.9Confident161 Ų16198.3 Ų98.363%0.63150%0.502SS*.  trans-89.3107173.4-177.6-122000109.7P86 S87 Y88Y84-P86 HydrophobicContact CD1-CB 4.43Å; Y84-P86 HydrophobicContact CD1-CG 4.43Å; Y84-P86 HydrophobicContact CE1-CB 3.82Å; Y84-P86 HydrophobicContact CE1-CG 3.82Å; Y84-P86 HydrophobicContact CE2-CG 3.94Å; Y84-S87 WeakPolarHBondContact CD1-OG 3.44Å; Y84-S87 PolarHBondContact O-N 3.32Å; Y84-S87 VanDerWaalsContact O-N 3.12Å; Y84-Y88 VanDerWaalsContact O-CD2 3.23Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.4Å
85E86.3Confident89.2Confident140 Ų14097 Ų9765%0.65450%0.495SS*.G310 helixtrans-48.1-47.3-173.6179.9-166.9-175.200114.5S87 Y88E85-S87 PolarHBondContact O-N 2.94Å; E85-S87 VanDerWaalsContact O-N 3.09Å; E85-Y88 PolarHBondContact O-N 3.16Å; E85-Y88 VanDerWaalsContact O-N 3.1Å
86P86.9Confident89.7Confident76 Ų7694.3 Ų94.349%0.49449%0.487SS..G310 helixtrans-67.1-11.8-176.6-23.236.9000115.7L74 Y84 Y88L74-P86 WeakPolarHBondContact CD2-O 2.93Å; Y84-P86 HydrophobicContact CD1-CB 4.43Å; Y84-P86 HydrophobicContact CD1-CG 4.43Å; Y84-P86 HydrophobicContact CE1-CB 3.82Å; Y84-P86 HydrophobicContact CE1-CG 3.82Å; Y84-P86 HydrophobicContact CE2-CG 3.94Å; P86-Y88 VanDerWaalsContact C-N 3.27Å
87S88.3Confident90.2Very high52 Ų5294 Ų9436%0.36447%0.473SS..G310 helixtrans-81.4-6.1174.9-710000113.6L75 Y84 E85L75-S87 PolarHBondContact N-O 3.48Å; Y84-S87 WeakPolarHBondContact CD1-OG 3.44Å; Y84-S87 PolarHBondContact O-N 3.32Å; Y84-S87 VanDerWaalsContact O-N 3.12Å; E85-S87 PolarHBondContact O-N 2.94Å; E85-S87 VanDerWaalsContact O-N 3.09Å
88Y90Very high90.8Very high40 Ų4086.3 Ų86.316%0.15744%0.437CS..BIsolated β-bridgetrans-120.1159.2-174.7-63.1-91.3000111.8L75 E77 P78 W83 Y84 E85 P86L75-Y88 HydrophobicContact CB-CD1 3.47Å; L75-Y88 VanDerWaalsContact CB-CD1 3.47Å; L75-Y88 HydrophobicContact CB-CE1 3.48Å; L75-Y88 VanDerWaalsContact CB-CE1 3.48Å; L75-Y88 HydrophobicContact CB-CG 4.38Å; L75-Y88 HydrophobicContact CD1-CE1 3.75Å; L75-Y88 HydrophobicContact CG-CE1 4.25Å; L75-Y88 CarbonylContact O-C 3.52Å; L75-Y88 VanDerWaalsContact O-CA 3.24Å; L75-Y88 WeakPolarHBondContact O-CA 3.27Å; E77-Y88 VanDerWaalsContact O-CE1 3.3Å; E77-Y88 WeakPolarHBondContact O-CE1 3.45Å; P78-Y88 HydrophobicContact CB-CD1 4.4Å; P78-Y88 HydrophobicContact CB-CE1 4.15Å; W83-Y88 HydrophobicContact CB-CD2 4.4Å; W83-Y88 HydrophobicContact CB-CE2 3.73Å; W83-Y88 AromaticContact CD1-CD2 3.76Å; W83-Y88 AromaticContact CD1-CE2 3.97Å; W83-Y88 HydrophobicContact CG-CD2 4.4Å; W83-Y88 HydrophobicContact CG-CE2 4.18Å; Y84-Y88 VanDerWaalsContact O-CD2 3.23Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.4Å; E85-Y88 PolarHBondContact O-N 3.16Å; E85-Y88 VanDerWaalsContact O-N 3.1Å; P86-Y88 VanDerWaalsContact C-N 3.27Å
89L89.3Confident91.2Very high76 Ų7683.8 Ų83.840%0.39842%0.421SS..PPolyproline II helixtrans-62143.4167.6-67.2178.6000110.3F68 L74 L75 R91F68-L89 HydrophobicContact CE1-CD2 4.11Å; F68-L89 HydrophobicContact CZ-CD2 3.75Å; L74-L89 HydrophobicContact CB-CD2 3.99Å; L74-L89 HydrophobicContact CB-CG 4.33Å; L74-L89 HydrophobicContact CD1-CD2 4.08Å; L75-L89 PolarHBondContact O-N 2.98Å; L89-R91 PolarHBondContact O-N 3.25Å
90P88.2Confident91.6Very high45 Ų4581.9 Ų81.929%0.29241%0.408SS..PPolyproline II helixtrans-57.2131.6174.4-24.332.5000110.6F68 V92 V307F68-P90 HydrophobicContact CB-CG 4.46Å; F68-P90 HydrophobicContact CD1-CG 4.02Å; F68-P90 HydrophobicContact CD2-CG 3.56Å; F68-P90 HydrophobicContact CE1-CG 4.09Å; F68-P90 HydrophobicContact CE2-CG 3.65Å; F68-P90 HydrophobicContact CG-CG 3.75Å; F68-P90 HydrophobicContact CZ-CG 3.92Å; P90-V92 PolarHBondContact O-N 2.97Å; P90-V307 HydrophobicContact CB-CG2 4.03Å
91R90.4Very high92Very high167 Ų16778.8 Ų78.863%0.6339%0.391SS*.PPolyproline II helixtrans-62.1126.7175.3-176.4167.4174.91785.4109.9L89 Y93L89-R91 PolarHBondContact O-N 3.25Å; R91-Y93 HydrophobicContact CB-CE2 3.91Å; R91-Y93 WeakPolarHBondContact CD-OH 3.27Å; R91-Y93 HydrophobicContact CG-CD2 4.42Å; R91-Y93 HydrophobicContact CG-CE1 4.2Å; R91-Y93 HydrophobicContact CG-CE2 3.84Å; R91-Y93 VanDerWaalsContact O-CD2 3.31Å; R91-Y93 WeakPolarHBondContact O-CD2 3.29Å; R91-Y93 WeakPolarHBondContact O-CE2 3.18Å
92V92.6Very high92.2Very high77 Ų7771.3 Ų71.347%0.46735%0.351SS..EExtended strand (participates in β ladder)trans-91.9132.1176.5-174.30000108.9P90 V307 N309P90-V92 PolarHBondContact O-N 2.97Å; V92-V307 HydrophobicContact CG2-CG1 4.49Å; V92-N309 HydrophobicContact CG1-CB 3.55Å
93Y94.9Very high92.3Very high44 Ų4469.7 Ų69.717%0.17333%0.331CS..EExtended strand (participates in β ladder)trans-113.7152.9-178.5-64.4-89.6000111.2R91 E97 L101 Y306 V307 I308 N309R91-Y93 HydrophobicContact CB-CE2 3.91Å; R91-Y93 WeakPolarHBondContact CD-OH 3.27Å; R91-Y93 HydrophobicContact CG-CD2 4.42Å; R91-Y93 HydrophobicContact CG-CE1 4.2Å; R91-Y93 HydrophobicContact CG-CE2 3.84Å; R91-Y93 VanDerWaalsContact O-CD2 3.31Å; R91-Y93 WeakPolarHBondContact O-CD2 3.29Å; R91-Y93 WeakPolarHBondContact O-CE2 3.18Å; Y93-E97 HydrophobicContact CD1-CB 4.31Å; Y93-L101 HydrophobicContact CD1-CD1 4.08Å; Y93-L101 HydrophobicContact CE1-CD1 3.76Å; Y93-Y306 HydrophobicContact CD2-CD1 4.08Å; Y93-Y306 HydrophobicContact CD2-CG 4.39Å; Y93-Y306 AromaticContact CE2-CD1 3.79Å; Y93-Y306 HydrophobicContact CE2-CD1 3.79Å; Y93-V307 PolarHBondContact N-O 3.43Å; Y93-I308 WeakPolarHBondContact O-CA 3.14Å; Y93-N309 PolarHBondContact O-N 2.67Å
94T95.6Very high92.5Very high67 Ų6769.3 Ų69.341%0.41133%0.334SS..  trans-73.4158.8162.562.40000110.3A96 E97 A98T94-A96 VanDerWaalsContact C-N 3.3Å; T94-A96 PolarHBondContact O-N 3.06Å; T94-E97 PolarHBondContact N-OE2 3.48Å; T94-E97 PolarHBondContact O-N 3.39Å; T94-E97 WeakPolarHBondContact OG1-CB 3.5Å; T94-E97 WeakPolarHBondContact OG1-CG 3.41Å; T94-E97 PolarHBondContact OG1-N 3.19Å; T94-E97 PolarHBondContact OG1-OE2 3.26Å; T94-A98 WeakPolarHBondContact O-CB 3.12Å; T94-A98 PolarHBondContact O-N 2.74Å
95V94.3Very high92.6Very high4 Ų463.3 Ų63.32%0.02431%0.313CS..Hα-helixtrans-60.2-43.9177.7-177.40000110.5E97 A98 V99 E270 L273 I308 F313V95-E97 PolarHBondContact O-N 3.21Å; V95-A98 PolarHBondContact O-N 2.96Å; V95-V99 HydrophobicContact CG1-CG2 4.21Å; V95-V99 WeakPolarHBondContact O-CB 3.46Å; V95-V99 VanDerWaalsContact O-CG2 3.25Å; V95-V99 WeakPolarHBondContact O-CG2 3.36Å; V95-V99 PolarHBondContact O-N 3.28Å; V95-E270 HydrophobicContact CB-CG 3.66Å; V95-E270 HydrophobicContact CG1-CG 3.57Å; V95-E270 HydrophobicContact CG2-CG 4.11Å; V95-L273 HydrophobicContact CG2-CD2 3.41Å; V95-L273 VanDerWaalsContact CG2-CD2 3.41Å; V95-I308 HydrophobicContact CG2-CG2 3.79Å; V95-F313 HydrophobicContact CG2-CE2 3.87Å; V95-F313 HydrophobicContact CG2-CZ 3.71Å
96A95.4Very high92.9Very high43 Ų4356.7 Ų56.736%0.35528%0.282SS..Hα-helixtrans-56.9-45.8176.400000113.3T94 R100 V266T94-A96 VanDerWaalsContact C-N 3.3Å; T94-A96 PolarHBondContact O-N 3.06Å; A96-R100 WeakPolarHBondContact O-CB 3.11Å; A96-R100 PolarHBondContact O-N 3.49Å; A96-V266 HydrophobicContact CB-CG1 3.84Å
97E96Very high93.1Very high67 Ų6757.6 Ų57.631%0.31328%0.28SS..Hα-helixtrans-66.1-45.9178.2-72.7166.614700112Y93 T94 V95 V99 R100 L101Y93-E97 HydrophobicContact CD1-CB 4.31Å; T94-E97 PolarHBondContact N-OE2 3.48Å; T94-E97 PolarHBondContact O-N 3.39Å; T94-E97 WeakPolarHBondContact OG1-CB 3.5Å; T94-E97 WeakPolarHBondContact OG1-CG 3.41Å; T94-E97 PolarHBondContact OG1-N 3.19Å; T94-E97 PolarHBondContact OG1-OE2 3.26Å; V95-E97 PolarHBondContact O-N 3.21Å; E97-V99 VanDerWaalsContact C-N 3.34Å; E97-V99 PolarHBondContact O-N 3.36Å; E97-R100 WeakPolarHBondContact O-CB 3.37Å; E97-R100 PolarHBondContact O-N 3.5Å; E97-L101 WeakPolarHBondContact O-CG 3.29Å; E97-L101 PolarHBondContact O-N 3.26Å
98A95.5Very high93.2Very high0 Ų059 Ų590%029%0.288CS..Hα-helixtrans-65.6-38-17900000111.7T94 V95 L101 H102 M297 Y306 I308T94-A98 WeakPolarHBondContact O-CB 3.12Å; T94-A98 PolarHBondContact O-N 2.74Å; V95-A98 PolarHBondContact O-N 2.96Å; A98-L101 PolarHBondContact O-N 3.34Å; A98-H102 PolarHBondContact O-CD2 3.47Å; A98-H102 VanDerWaalsContact O-CD2 3.27Å; A98-H102 PolarHBondContact O-N 3.17Å; A98-M297 VanDerWaalsContact C-CE 3.4Å; A98-M297 HydrophobicContact CB-CE 3.28Å; A98-Y306 HydrophobicContact CB-CD2 4.06Å; A98-Y306 HydrophobicContact CB-CG 4.17Å; A98-I308 HydrophobicContact CB-CD1 3.49Å; A98-I308 VanDerWaalsContact CB-CD1 3.49Å
99V95.4Very high93.3Very high0 Ų062.6 Ų62.60%031%0.314CS..Hα-helixtrans-64.7-42.2171.7171.50000111.1V95 E97 H102 R103 L262 V266 L269 M297V95-V99 HydrophobicContact CG1-CG2 4.21Å; V95-V99 WeakPolarHBondContact O-CB 3.46Å; V95-V99 VanDerWaalsContact O-CG2 3.25Å; V95-V99 WeakPolarHBondContact O-CG2 3.36Å; V95-V99 PolarHBondContact O-N 3.28Å; E97-V99 VanDerWaalsContact C-N 3.34Å; E97-V99 PolarHBondContact O-N 3.36Å; V99-H102 PolarHBondContact O-N 2.94Å; V99-R103 HydrophobicContact CG1-CG 4.5Å; V99-R103 WeakPolarHBondContact O-CG 3.39Å; V99-R103 PolarHBondContact O-N 2.7Å; V99-L262 HydrophobicContact CG1-CD1 4.22Å; V99-V266 HydrophobicContact CG1-CG2 4.21Å; V99-L269 HydrophobicContact CG1-CD1 4.17Å; V99-L269 HydrophobicContact CG2-CD1 3.77Å; V99-M297 HydrophobicContact CG2-CE 3.74Å; V99-M297 HydrophobicContact CG2-SD 4.38Å
100R95.5Very high93.4Very high143 Ų14364.9 Ų64.954%0.5432%0.324SS..Hα-helixtrans-59.6-46.6176.4-177.1-17569.8179.3-1.6111.7A96 E97 R103 Q104A96-R100 WeakPolarHBondContact O-CB 3.11Å; A96-R100 PolarHBondContact O-N 3.49Å; E97-R100 WeakPolarHBondContact O-CB 3.37Å; E97-R100 PolarHBondContact O-N 3.5Å; R100-R103 WeakPolarHBondContact O-CB 3.16Å; R100-R103 PolarHBondContact O-N 3.48Å; R100-Q104 WeakPolarHBondContact O-CG 3.4Å; R100-Q104 PolarHBondContact O-N 2.81Å; R100-Q104 VanDerWaalsContact O-N 3.1Å
101L95.2Very high93.5Very high39 Ų3966.1 Ų66.120%0.20433%0.327CS..Hα-helixtrans-64.1-43.6178.7-68.6172.2000111.6Y93 E97 A98 R103 Q104 L105 Y306Y93-L101 HydrophobicContact CD1-CD1 4.08Å; Y93-L101 HydrophobicContact CE1-CD1 3.76Å; E97-L101 WeakPolarHBondContact O-CG 3.29Å; E97-L101 PolarHBondContact O-N 3.26Å; A98-L101 PolarHBondContact O-N 3.34Å; L101-R103 VanDerWaalsContact C-N 3.32Å; L101-R103 PolarHBondContact O-N 2.83Å; L101-Q104 WeakPolarHBondContact O-CB 3.5Å; L101-Q104 PolarHBondContact O-N 3.27Å; L101-L105 PolarHBondContact O-N 3.08Å; L101-Y306 HydrophobicContact CB-CD2 4.38Å; L101-Y306 HydrophobicContact CB-CE1 4.35Å; L101-Y306 HydrophobicContact CB-CE2 3.56Å; L101-Y306 HydrophobicContact CD1-CD1 4.1Å; L101-Y306 HydrophobicContact CD1-CE1 3.71Å; L101-Y306 HydrophobicContact CD1-CE2 4.26Å
102H95.2Very high93.5Very high1 Ų163.4 Ų63.41%0.00533%0.325CS..Hα-helixtrans-62.5-37.2174.1-77.3-47.1000112.9A98 V99 Q104 L105 Q106 L262 V299 Y306A98-H102 PolarHBondContact O-CD2 3.47Å; A98-H102 VanDerWaalsContact O-CD2 3.27Å; A98-H102 PolarHBondContact O-N 3.17Å; V99-H102 PolarHBondContact O-N 2.94Å; H102-Q104 VanDerWaalsContact C-N 3.33Å; H102-Q104 PolarHBondContact O-N 2.96Å; H102-L105 PolarHBondContact O-N 3.15Å; H102-Q106 WeakPolarHBondContact O-CB 3.46Å; H102-Q106 WeakPolarHBondContact O-CG 3.21Å; H102-Q106 PolarHBondContact O-N 3.34Å; H102-L262 HydrophobicContact CB-CD1 3.9Å; H102-L262 HydrophobicContact CB-CD2 4.5Å; H102-V299 HydrophobicContact CB-CG2 3.91Å; H102-Y306 AromaticContact CD2-CD2 3.75Å; H102-Y306 AromaticContact CD2-CE2 3.97Å; H102-Y306 AromaticContact CE1-CD2 3.5Å; H102-Y306 VanDerWaalsContact CE1-CD2 3.5Å; H102-Y306 WeakPolarHBondContact CE1-CD2 3.21Å; H102-Y306 AromaticContact CE1-CE2 3.43Å; H102-Y306 VanDerWaalsContact CE1-CE2 3.43Å; H102-Y306 WeakPolarHBondContact CE1-CE2 3.46Å; H102-Y306 AromaticContact CG-CE2 3.87Å; H102-Y306 AromaticContact ND1-CD2 3.99Å; H102-Y306 AromaticContact ND1-CE2 3.54Å; H102-Y306 AromaticContact NE2-CD2 3.36Å; H102-Y306 WeakPolarHBondContact NE2-CD2 3.34Å; H102-Y306 AromaticContact NE2-CE2 3.74Å
103R94.2Very high93.3Very high99 Ų9962.1 Ų62.137%0.37432%0.316SS..Hα-helixtrans-62.6-38.3174.3-77175.2175.4170.50.6112.8V99 R100 L101 Q106 H107 L262 M264V99-R103 HydrophobicContact CG1-CG 4.5Å; V99-R103 WeakPolarHBondContact O-CG 3.39Å; V99-R103 PolarHBondContact O-N 2.7Å; R100-R103 WeakPolarHBondContact O-CB 3.16Å; R100-R103 PolarHBondContact O-N 3.48Å; L101-R103 VanDerWaalsContact C-N 3.32Å; L101-R103 PolarHBondContact O-N 2.83Å; R103-Q106 PolarHBondContact O-N 3.15Å; R103-H107 PolarHBondContact O-N 3.32Å; R103-L262 HydrophobicContact CG-CD1 3.82Å; R103-L262 HydrophobicContact CG-CD2 4.06Å; R103-L262 HydrophobicContact CG-CG 3.71Å; R103-L262 PolarHBondContact NE-O 2.98Å; R103-L262 VanDerWaalsContact NE-O 3.09Å; R103-L262 PolarHBondContact NH2-O 3.02Å; R103-M264 PolarHBondContact NH2-O 3.33Å
104Q93.4Very high93Very high114 Ų11464.1 Ų64.153%0.53334%0.336SS..Hα-helixtrans-65.4-42174.4-69.7173.2-14.400111.4R100 L101 H102 Q106 H107R100-Q104 WeakPolarHBondContact O-CG 3.4Å; R100-Q104 PolarHBondContact O-N 2.81Å; R100-Q104 VanDerWaalsContact O-N 3.1Å; L101-Q104 WeakPolarHBondContact O-CB 3.5Å; L101-Q104 PolarHBondContact O-N 3.27Å; H102-Q104 VanDerWaalsContact C-N 3.33Å; H102-Q104 PolarHBondContact O-N 2.96Å; Q104-Q106 VanDerWaalsContact C-N 3.35Å; Q104-Q106 PolarHBondContact O-N 3.24Å; Q104-H107 WeakPolarHBondContact O-CB 3.48Å; Q104-H107 PolarHBondContact O-N 3.06Å
105L92.7Very high92.7Very high35 Ų3563.5 Ų63.518%0.18334%0.335CS..Hα-helixtrans-65.2-37.7176.8-17466.8000112.6L101 H102 H107 M110 L111 E304L101-L105 PolarHBondContact O-N 3.08Å; H102-L105 PolarHBondContact O-N 3.15Å; L105-H107 PolarHBondContact O-N 3.23Å; L105-M110 WeakPolarHBondContact O-CB 3.4Å; L105-L111 HydrophobicContact CD1-CD1 4.15Å; L105-L111 HydrophobicContact CD2-CD1 4.07Å; L105-L111 HydrophobicContact CG-CD1 3.72Å; L105-L111 HydrophobicContact CG-CG 4.45Å; L105-L111 PolarHBondContact O-N 3.13Å; L105-E304 HydrophobicContact CD2-CB 3.95Å; L105-E304 HydrophobicContact CD2-CG 3.85Å
106Q91.7Very high92.6Very high2 Ų263.4 Ų63.41%0.00933%0.334CS..THydrogen-bonded Turntrans-82.76.6177.6-63.8-49.3-35.500114.4H102 R103 Q104 N113 A116 L262 V299 P301H102-Q106 WeakPolarHBondContact O-CB 3.46Å; H102-Q106 WeakPolarHBondContact O-CG 3.21Å; H102-Q106 PolarHBondContact O-N 3.34Å; R103-Q106 PolarHBondContact O-N 3.15Å; Q104-Q106 VanDerWaalsContact C-N 3.35Å; Q104-Q106 PolarHBondContact O-N 3.24Å; Q106-N113 WeakPolarHBondContact CB-O 3.42Å; Q106-N113 WeakPolarHBondContact CG-O 3.34Å; Q106-N113 PolarHBondContact O-N 3.27Å; Q106-A116 HydrophobicContact CG-CB 4.33Å; Q106-L262 HydrophobicContact CB-CD2 3.69Å; Q106-L262 HydrophobicContact CG-CD2 3.39Å; Q106-V299 HydrophobicContact CG-CG1 4.12Å; Q106-P301 PolarHBondContact NE2-O 3.4Å
107H91.4Very high92.5Very high95 Ų9564.5 Ų64.544%0.4433%0.331SS..SBendtrans-54.4146.2178.6-170-95.8000110.9R103 Q104 L105 T109 M110 L111 N112R103-H107 PolarHBondContact O-N 3.32Å; Q104-H107 WeakPolarHBondContact O-CB 3.48Å; Q104-H107 PolarHBondContact O-N 3.06Å; L105-H107 PolarHBondContact O-N 3.23Å; H107-T109 PolarHBondContact CE1-OG1 2.8Å; H107-T109 WeakPolarHBondContact ND1-CB 3.44Å; H107-T109 PolarHBondContact ND1-N 2.87Å; H107-T109 PolarHBondContact ND1-OG1 3.37Å; H107-T109 PolarHBondContact O-N 2.99Å; H107-T109 VanDerWaalsContact O-N 3.08Å; H107-M110 HydrophobicContact CB-CG 4.47Å; H107-M110 CarbonylContact O-C 3.5Å; H107-M110 WeakPolarHBondContact O-CA 3.39Å; H107-M110 PolarHBondContact O-N 2.82Å; H107-L111 PolarHBondContact O-N 3.18Å; H107-N112 PolarHBondContact O-N 3.1Å; H107-N112 VanDerWaalsContact O-N 3.1Å
108P91Very high92.4Very high82 Ų8261.4 Ų61.453%0.53232%0.317SS..THydrogen-bonded Turntrans-52.5-30178.5-31.437.7000115.5M110P108-M110 VanDerWaalsContact C-N 3.29Å
109T92.4Very high92.3Very high115 Ų11566.5 Ų66.571%0.70634%0.336SS*.THydrogen-bonded Turntrans-74.7-18.2175.5-43.60000113.5H107H107-T109 PolarHBondContact CE1-OG1 2.8Å; H107-T109 WeakPolarHBondContact ND1-CB 3.44Å; H107-T109 PolarHBondContact ND1-N 2.87Å; H107-T109 PolarHBondContact ND1-OG1 3.37Å; H107-T109 PolarHBondContact O-N 2.99Å; H107-T109 VanDerWaalsContact O-N 3.08Å
110M90.3Very high92.3Very high124 Ų12466.6 Ų66.661%0.61134%0.336SS*.THydrogen-bonded Turntrans-106.3-105.7-177.8-63.7-62.3-70.600109.7L105 H107 P108L105-M110 WeakPolarHBondContact O-CB 3.4Å; H107-M110 HydrophobicContact CB-CG 4.47Å; H107-M110 CarbonylContact O-C 3.5Å; H107-M110 WeakPolarHBondContact O-CA 3.39Å; H107-M110 PolarHBondContact O-N 2.82Å; P108-M110 VanDerWaalsContact C-N 3.29Å
111L89.7Confident92.2Very high70 Ų7060.1 Ų60.137%0.36631%0.312SS..THydrogen-bonded Turntrans-88.2-9.9-176.6-60.2-179.6000114.1L105 H107 N113 P301L105-L111 HydrophobicContact CD1-CD1 4.15Å; L105-L111 HydrophobicContact CD2-CD1 4.07Å; L105-L111 HydrophobicContact CG-CD1 3.72Å; L105-L111 HydrophobicContact CG-CG 4.45Å; L105-L111 PolarHBondContact O-N 3.13Å; H107-L111 PolarHBondContact O-N 3.18Å; L111-N113 PolarHBondContact O-N 2.62Å; L111-P301 HydrophobicContact CB-CG 4.32Å; L111-P301 WeakPolarHBondContact CD1-O 3.35Å
112N90.8Very high92Very high110 Ų11058.2 Ų58.259%0.58830%0.302SS*.  trans52.349.9173.8-166.221000114.8H107H107-N112 PolarHBondContact O-N 3.1Å; H107-N112 VanDerWaalsContact O-N 3.1Å
113N89.9Confident91.8Very high50 Ų5058.2 Ų58.227%0.26730%0.302SS..  trans-141.677.8174.9-169.2-4.2000112.3Q106 L111 S115 A116 P301Q106-N113 WeakPolarHBondContact CB-O 3.42Å; Q106-N113 WeakPolarHBondContact CG-O 3.34Å; Q106-N113 PolarHBondContact O-N 3.27Å; L111-N113 PolarHBondContact O-N 2.62Å; N113-S115 PolarHBondContact O-N 2.81Å; N113-S115 PolarHBondContact OD1-N 2.83Å; N113-A116 HydrophobicContact CB-CB 4.34Å; N113-A116 WeakPolarHBondContact O-CB 3.04Å; N113-A116 PolarHBondContact O-N 2.93Å; N113-A116 PolarHBondContact OD1-N 3.1Å; N113-P301 HydrophobicContact CB-CG 4.48Å; N113-P301 WeakPolarHBondContact ND2-CD 3.49Å
114S87.9Confident91.6Very high86 Ų8653.5 Ų53.560%0.60129%0.285SS*.THydrogen-bonded Turntrans-64.7-20-179.956.30000114.5
115S88.9Confident91.2Very high54 Ų5449.5 Ų49.538%0.37827%0.267SS..THydrogen-bonded Turntrans-107.522.9-178.865.50000113.3N113N113-S115 PolarHBondContact O-N 2.81Å; N113-S115 PolarHBondContact OD1-N 2.83Å
116A92.5Very high90.5Very high2 Ų248.4 Ų48.42%0.01726%0.261CS..PPolyproline II helixtrans-59.2150179.700000112.6Q106 N113 K261 L262 V299Q106-A116 HydrophobicContact CG-CB 4.33Å; N113-A116 HydrophobicContact CB-CB 4.34Å; N113-A116 WeakPolarHBondContact O-CB 3.04Å; N113-A116 PolarHBondContact O-N 2.93Å; N113-A116 PolarHBondContact OD1-N 3.1Å; A116-K261 WeakPolarHBondContact O-CA 3.48Å; A116-L262 PolarHBondContact O-N 3.07Å; A116-V299 HydrophobicContact CB-CG1 3.39Å
117F93.1Very high89.5Confident67 Ų6752.7 Ų52.729%0.29428%0.281SS..EExtended strand (participates in β ladder)trans-77.9127.6177.5-68.3-66.5000110.9F144 A145 V258 K261F117-F144 HydrophobicContact CD1-CE2 4.38Å; F117-A145 WeakPolarHBondContact CE1-O 3.46Å; F117-V258 HydrophobicContact CB-CG1 3.88Å; F117-V258 HydrophobicContact CD1-CG1 3.89Å; F117-V258 HydrophobicContact CG-CG1 4.23Å; F117-K261 HydrophobicContact CD1-CG 4Å; F117-K261 HydrophobicContact CE1-CG 3.98Å
118V94.2Very high88.1Confident1 Ų150.1 Ų50.11%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-85.7117.9173.5-174.10000108.3V258 I259 G260 L262 M297 V299V118-V258 CarbonylContact O-C 3.52Å; V118-V258 WeakPolarHBondContact O-CA 3.42Å; V118-V258 WeakPolarHBondContact O-CG1 3.12Å; V118-I259 HydrophobicContact CB-CD1 4.5Å; V118-I259 HydrophobicContact CB-CG1 3.98Å; V118-I259 HydrophobicContact CG1-CD1 3.75Å; V118-I259 HydrophobicContact CG1-CG1 3.72Å; V118-I259 PolarHBondContact O-N 3.08Å; V118-G260 PolarHBondContact N-O 3.11Å; V118-L262 HydrophobicContact CG2-CB 4.29Å; V118-L262 HydrophobicContact CG2-CD1 4.19Å; V118-M297 HydrophobicContact CG1-CG 3.57Å; V118-M297 HydrophobicContact CG1-SD 3.44Å; V118-M297 WeakPolarHBondContact CG1-SD 3.35Å; V118-V299 HydrophobicContact CG1-CG2 4.46Å; V118-V299 HydrophobicContact CG2-CG2 4.17Å
119R93.7Very high86.5Confident108 Ų10855.9 Ų55.941%0.40829%0.29SS..EExtended strand (participates in β ladder)trans-102.8141.2177.1-63.3-178.1-177.3-120.90.7109.7S257 V258 M297 T298R119-S257 CarbonylContact C-O 3.57Å; R119-S257 VanDerWaalsContact CA-O 3.28Å; R119-S257 WeakPolarHBondContact CA-O 3.29Å; R119-V258 HydrophobicContact CG-CG2 4.19Å; R119-M297 WeakPolarHBondContact O-CA 3.23Å; R119-T298 WeakPolarHBondContact CB-O 3.48Å; R119-T298 PolarHBondContact N-O 3.29Å; R119-T298 PolarHBondContact O-N 3.35Å
120L94.3Very high85Confident1 Ų159.1 Ų59.11%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-115.2126.4168.2-16479.2000109.5L122 E256 S257 I259 L273 Y276 I277 A295 V296 M297L120-L122 HydrophobicContact CD2-CD2 3.59Å; L120-L122 HydrophobicContact CD2-CG 4.04Å; L120-L122 HydrophobicContact CG-CD2 4.19Å; L120-E256 WeakPolarHBondContact O-CA 3.43Å; L120-S257 PolarHBondContact N-O 3.46Å; L120-S257 PolarHBondContact O-N 3.42Å; L120-I259 HydrophobicContact CB-CG2 3.74Å; L120-L273 HydrophobicContact CB-CD1 4.46Å; L120-L273 HydrophobicContact CD1-CD1 3.54Å; L120-L273 HydrophobicContact CD2-CD1 3.3Å; L120-L273 HydrophobicContact CG-CD1 3.94Å; L120-Y276 HydrophobicContact CB-CD1 4.38Å; L120-Y276 HydrophobicContact CB-CE1 4.19Å; L120-Y276 HydrophobicContact CD2-CD1 3.44Å; L120-Y276 VanDerWaalsContact CD2-CD1 3.44Å; L120-Y276 HydrophobicContact CD2-CE1 3.64Å; L120-Y276 HydrophobicContact CG-CD1 4.48Å; L120-Y276 HydrophobicContact CG-CE1 4.35Å; L120-I277 HydrophobicContact CD2-CG1 4.46Å; L120-A295 HydrophobicContact CD1-CB 4.36Å; L120-V296 WeakPolarHBondContact CA-O 3.41Å; L120-M297 HydrophobicContact CD1-CB 4.34Å
121R93.2Very high83.6Confident7 Ų760.4 Ų60.43%0.02629%0.291CS..EExtended strand (participates in β ladder)trans-105.5125.7168.1177.1173.4163.7177.4-8.2108.7A61 R63 P65 D123 V254 S255 E256 V296A61-R121 PolarHBondContact O-NH2 3.21Å; R63-R121 PolarHBondContact O-NH1 2.98Å; P65-R121 PolarHBondContact O-NH1 3.3Å; P65-R121 PolarHBondContact O-NH2 2.96Å; R121-D123 IonicContact CZ-OD1 3.56Å; R121-D123 IonicContact NE-OD1 3.06Å; R121-D123 PolarHBondContact NE-OD1 2.66Å; R121-D123 IonicContact NH2-OD1 3.16Å; R121-D123 PolarHBondContact NH2-OD1 2.8Å; R121-D123 VanDerWaalsContact NH2-OD1 3.16Å; R121-V254 HydrophobicContact CG-CG1 3.81Å; R121-S255 WeakPolarHBondContact CA-O 3.43Å; R121-E256 HydrophobicContact CB-CG 4.01Å; R121-E256 HydrophobicContact CG-CG 3.89Å; R121-V296 HydrophobicContact CB-CB 4.49Å; R121-V296 PolarHBondContact N-O 3.31Å; R121-V296 PolarHBondContact O-N 3.28Å
122L92.6Very high82.6Confident0 Ų058.8 Ų58.80%028%0.284CS..EExtended strand (participates in β ladder)trans-105.3123.9170.7-60177.6000108.4L120 L124 V254 S255 Y276 V280 I292 R294 A295L120-L122 HydrophobicContact CD2-CD2 3.59Å; L120-L122 HydrophobicContact CD2-CG 4.04Å; L120-L122 HydrophobicContact CG-CD2 4.19Å; L122-L124 HydrophobicContact CB-CD2 4.02Å; L122-L124 HydrophobicContact CB-CG 4.33Å; L122-V254 WeakPolarHBondContact O-CA 3.03Å; L122-S255 PolarHBondContact N-O 2.89Å; L122-S255 PolarHBondContact O-N 3.46Å; L122-Y276 HydrophobicContact CD1-CD1 4.04Å; L122-Y276 HydrophobicContact CD1-CE1 3.53Å; L122-Y276 HydrophobicContact CG-CE1 3.83Å; L122-V280 HydrophobicContact CD1-CB 3.93Å; L122-V280 HydrophobicContact CD1-CG1 3.83Å; L122-V280 HydrophobicContact CD1-CG2 3.91Å; L122-I292 HydrophobicContact CD2-CG2 4.17Å; L122-R294 WeakPolarHBondContact CA-O 3.4Å; L122-A295 HydrophobicContact CD2-CB 3.53Å
123D90.9Very high81.6Confident1 Ų158.6 Ų58.61%0.00528%0.283CS..EExtended strand (participates in β ladder)trans-89.1123.8166.4-61-43.4000107.9R67 R121 D293 R294R67-D123 HydrophobicContact CG-CB 4.34Å; R121-D123 IonicContact CZ-OD1 3.56Å; R121-D123 IonicContact NE-OD1 3.06Å; R121-D123 PolarHBondContact NE-OD1 2.66Å; R121-D123 IonicContact NH2-OD1 3.16Å; R121-D123 PolarHBondContact NH2-OD1 2.8Å; R121-D123 VanDerWaalsContact NH2-OD1 3.16Å; D123-D293 PolarHBondContact O-N 3.02Å; D123-R294 HydrophobicContact CB-CB 4.26Å; D123-R294 PolarHBondContact N-O 2.67Å; D123-R294 PolarHBondContact O-N 2.85Å; D123-R294 IonicContact OD2-CZ 3.2Å; D123-R294 IonicContact OD2-NE 2.9Å; D123-R294 PolarHBondContact OD2-NE 2.97Å; D123-R294 IonicContact OD2-NH2 2.94Å; D123-R294 PolarHBondContact OD2-NH2 3.36Å
124L88.6Confident81Confident0 Ų058.6 Ų58.60%028%0.279CS..EExtended strand (participates in β ladder)trans-117.1146.2-170.4-56.7171.3000110.2R67 L122 M126 L243 G253 V280 F291 I292R67-L124 PolarHBondContact NH1-O 3.2Å; R67-L124 PolarHBondContact NH2-O 2.84Å; L122-L124 HydrophobicContact CB-CD2 4.02Å; L122-L124 HydrophobicContact CB-CG 4.33Å; L124-M126 HydrophobicContact CB-SD 4.43Å; L124-L243 HydrophobicContact CD1-CD1 3.05Å; L124-L243 HydrophobicContact CG-CD1 4.46Å; L124-G253 PolarHBondContact N-O 3.2Å; L124-G253 PolarHBondContact O-N 3Å; L124-V280 HydrophobicContact CD1-CG1 3.98Å; L124-V280 HydrophobicContact CD2-CG1 3.85Å; L124-F291 VanDerWaalsContact CA-O 3.29Å; L124-F291 WeakPolarHBondContact CA-O 3.32Å; L124-F291 HydrophobicContact CD1-CE1 4.27Å; L124-F291 HydrophobicContact CD1-CZ 4.32Å; L124-F291 HydrophobicContact CD2-CD1 4.18Å; L124-F291 HydrophobicContact CD2-CE1 4.04Å; L124-I292 HydrophobicContact CD2-CB 4.09Å; L124-I292 HydrophobicContact CD2-CG1 3.65Å; L124-I292 HydrophobicContact CD2-CG2 4.13Å
125N84.9Confident80.6Confident29 Ų2956.9 Ų56.916%0.15527%0.27CS..EExtended strand (participates in β ladder)trans-101.2100.9169.4-167.72.1000108.3Q127 T251 F291N125-Q127 VanDerWaalsContact OD1-CG 3.3Å; N125-Q127 WeakPolarHBondContact OD1-CG 3.38Å; N125-T251 WeakPolarHBondContact OD1-CG2 3.15Å; N125-T251 PolarHBondContact OD1-O 2.91Å; N125-F291 PolarHBondContact N-O 2.75Å
126M77.6Confident80.2Confident12 Ų1254.6 Ų54.66%0.05926%0.255CS..  trans-82-25.9-174.2-68.9-65-57.300112L124 L128 L243 Q245 T251 F291L124-M126 HydrophobicContact CB-SD 4.43Å; M126-L128 HydrophobicContact CB-CB 4.39Å; M126-L128 HydrophobicContact CE-CD2 4.35Å; M126-L128 WeakPolarHBondContact O-CA 3.34Å; M126-L128 WeakPolarHBondContact O-CB 3.3Å; M126-L128 PolarHBondContact O-N 3.11Å; M126-L243 HydrophobicContact CE-CD2 3.66Å; M126-L243 HydrophobicContact SD-CD1 3.96Å; M126-L243 HydrophobicContact SD-CD2 3.92Å; M126-L243 HydrophobicContact SD-CG 4.33Å; M126-Q245 HydrophobicContact CG-CG 4.08Å; M126-T251 PolarHBondContact N-O 2.9Å; M126-F291 HydrophobicContact CE-CE2 4.27Å; M126-F291 HydrophobicContact SD-CE2 3.47Å; M126-F291 WeakPolarHBondContact SD-CE2 3.38Å; M126-F291 HydrophobicContact SD-CZ 3.67Å
127Q71.3Confident79.9Confident92 Ų9254.8 Ų54.843%0.4326%0.255SS..  trans31.938.8-174.4-66-172.4-20.900113.9N125 T251 K288N125-Q127 VanDerWaalsContact OD1-CG 3.3Å; N125-Q127 WeakPolarHBondContact OD1-CG 3.38Å; Q127-T251 HydrophobicContact CG-CG2 4.24Å; Q127-T251 PolarHBondContact N-O 3.33Å; Q127-K288 PolarHBondContact O-NZ 3.33Å
128L63.4Low79.6Confident42 Ų4252 Ų5222%0.2224%0.244CC..  trans-117.1127-168.1-176.760.7000108.3M126 R130 V132M126-L128 HydrophobicContact CB-CB 4.39Å; M126-L128 HydrophobicContact CE-CD2 4.35Å; M126-L128 WeakPolarHBondContact O-CA 3.34Å; M126-L128 WeakPolarHBondContact O-CB 3.3Å; M126-L128 PolarHBondContact O-N 3.11Å; L128-R130 HydrophobicContact CG-CB 4.47Å; L128-R130 WeakPolarHBondContact CG-O 3.47Å; L128-R130 PolarHBondContact O-N 3.38Å; L128-V132 HydrophobicContact CD2-CB 4.16Å; L128-V132 HydrophobicContact CD2-CG2 3.25Å; L128-V132 HydrophobicContact CG-CG2 4.47Å
129E56.5Low79.3Confident202 Ų20254 Ų5494%0.94426%0.259SS*.SBendtrans-63.8-30.5177.9-60.3-174.5161.500112.1
130R59.9Low79.1Confident183 Ų18349.3 Ų49.369%0.69124%0.243SC*.SBendtrans-95.6140.2-175.2-159174.779.2-156.4-2.3112.6L128 V132 Q245L128-R130 HydrophobicContact CG-CB 4.47Å; L128-R130 WeakPolarHBondContact CG-O 3.47Å; L128-R130 PolarHBondContact O-N 3.38Å; R130-V132 PolarHBondContact O-N 3.02Å; R130-V132 VanDerWaalsContact O-N 3.15Å; R130-Q245 PolarHBondContact O-NE2 3.28Å; R130-Q245 VanDerWaalsContact O-NE2 3.15Å; R130-Q245 PolarHBondContact O-OE1 3.18Å
131K61.7Low78.9Confident151 Ų15152.6 Ų52.666%0.65726%0.264SS*.  trans-62.6112.5167-72-175.9-180-176.80111.6
132V68.7Low78.9Confident36 Ų3656.8 Ų56.822%0.21828%0.28CS..  trans-119.4101.1175.4-170.40000109.1L128 R130L128-V132 HydrophobicContact CD2-CB 4.16Å; L128-V132 HydrophobicContact CD2-CG2 3.25Å; L128-V132 HydrophobicContact CG-CG2 4.47Å; R130-V132 PolarHBondContact O-N 3.02Å; R130-V132 VanDerWaalsContact O-N 3.15Å
133L69.8Low78.8Confident107 Ų10760.8 Ų60.856%0.5631%0.307SS*.  trans-83.5111.3159.7-178.471.9000106.9K244L133-K244 HydrophobicContact CD1-CG 4.12Å
134Y76.7Confident78.8Confident49 Ų4961.9 Ų61.919%0.19231%0.311CS..EExtended strand (participates in β ladder)trans-110.3120.1173.4-172-91.8000109F241 E242 L243 R279 L283Y134-F241 HydrophobicContact CD1-CE2 4.07Å; Y134-F241 HydrophobicContact CD1-CZ 4.01Å; Y134-F241 HydrophobicContact CE1-CE1 4.46Å; Y134-F241 HydrophobicContact CE1-CE2 4.21Å; Y134-F241 AromaticContact CE1-CZ 3.69Å; Y134-F241 HydrophobicContact CE1-CZ 3.69Å; Y134-E242 CarbonylContact O-C 3.54Å; Y134-E242 WeakPolarHBondContact O-CA 3.48Å; Y134-L243 PolarHBondContact N-O 3.13Å; Y134-L243 PolarHBondContact O-N 2.98Å; Y134-R279 PolarHBondContact OH-NH2 3.27Å; Y134-L283 HydrophobicContact CD1-CD1 3.39Å; Y134-L283 HydrophobicContact CD1-CD2 4.01Å; Y134-L283 HydrophobicContact CD1-CG 4.36Å; Y134-L283 HydrophobicContact CD2-CD2 4.41Å; Y134-L283 HydrophobicContact CE1-CD1 3.5Å; Y134-L283 VanDerWaalsContact CE1-CD1 3.5Å; Y134-L283 HydrophobicContact CE1-CD2 3.45Å; Y134-L283 VanDerWaalsContact CE1-CD2 3.45Å; Y134-L283 HydrophobicContact CE1-CG 4.12Å; Y134-L283 HydrophobicContact CE2-CD2 3.92Å; Y134-L283 HydrophobicContact CG-CD1 4.12Å; Y134-L283 HydrophobicContact CG-CD2 4.44Å
135A79.5Confident78.6Confident50 Ų5065.1 Ų65.141%0.41334%0.338SS..EExtended strand (participates in β ladder)trans-121.2125.4172.900000107.5F241 E242A135-F241 WeakPolarHBondContact CA-O 3.11Å; A135-E242 HydrophobicContact CB-CG 4.14Å
136S80.8Confident78.5Confident7 Ų765.3 Ų65.35%0.04934%0.338CS..EExtended strand (participates in β ladder)trans-143.6165.1177.4177.20000109.7F241S136-F241 VanDerWaalsContact CB-CE1 3.42Å; S136-F241 PolarHBondContact N-O 2.98Å; S136-F241 VanDerWaalsContact N-O 3.16Å; S136-F241 WeakPolarHBondContact O-CD1 3.06Å; S136-F241 PolarHBondContact O-N 3.36Å
137L86.7Confident78.7Confident6 Ų668.2 Ų68.23%0.03137%0.371CS..EExtended strand (participates in β ladder)trans-98.7147.4170.7-154.177.6000110.3H234 F235 I239 A240L137-H234 WeakPolarHBondContact CD2-O 3.22Å; L137-F235 VanDerWaalsContact CD2-CA 3.49Å; L137-F235 HydrophobicContact CD2-CB 4.29Å; L137-F235 HydrophobicContact CD2-CD1 3.68Å; L137-F235 HydrophobicContact CD2-CE1 4.07Å; L137-F235 HydrophobicContact CD2-CG 4Å; L137-I239 WeakPolarHBondContact CA-O 3.33Å; L137-A240 HydrophobicContact CD1-CB 4.21Å
138I87.2Confident79.3Confident9 Ų969.3 Ų69.35%0.04638%0.376CS..EExtended strand (participates in β ladder)trans-125.3129.2175.1-55.4179.4000108.2M140 G238 I239 F241 T275 Y276 R279I138-M140 HydrophobicContact CB-CE 4.35Å; I138-M140 HydrophobicContact CG2-CE 4.14Å; I138-M140 HydrophobicContact CG2-SD 4.13Å; I138-M140 PolarHBondContact O-N 3.21Å; I138-G238 CarbonylContact O-C 3.51Å; I138-G238 WeakPolarHBondContact O-CA 3.42Å; I138-I239 PolarHBondContact N-O 2.85Å; I138-I239 PolarHBondContact O-N 3.47Å; I138-F241 HydrophobicContact CD1-CB 4.48Å; I138-F241 HydrophobicContact CD1-CD1 3.23Å; I138-F241 HydrophobicContact CD1-CE1 3.31Å; I138-F241 HydrophobicContact CD1-CG 3.86Å; I138-F241 HydrophobicContact CD1-CZ 4.02Å; I138-F241 HydrophobicContact CG1-CD1 3.36Å; I138-F241 HydrophobicContact CG1-CE1 3.3Å; I138-F241 HydrophobicContact CG1-CG 4.41Å; I138-F241 HydrophobicContact CG1-CZ 4.36Å; I138-T275 HydrophobicContact CG2-CG2 4.15Å; I138-Y276 HydrophobicContact CD1-CD2 3.56Å; I138-Y276 HydrophobicContact CD1-CE2 4.03Å; I138-R279 HydrophobicContact CD1-CB 3.81Å; I138-R279 HydrophobicContact CD1-CG 3.5Å; I138-R279 HydrophobicContact CG1-CB 4.39Å; I138-R279 HydrophobicContact CG1-CG 3.73Å
139A87.1Confident80.3Confident41 Ų4177.2 Ų77.234%0.33941%0.408SS..  trans-76.6120.5163.100000108.3H234A139-H234 WeakPolarHBondContact CB-CE1 3.2Å; A139-H234 WeakPolarHBondContact CB-ND1 3.28Å; A139-H234 PolarHBondContact N-CE1 3.35Å; A139-H234 VanDerWaalsContact N-CE1 3.27Å
140M89.5Confident81.8Confident11 Ų1169.4 Ų69.45%0.05437%0.37CS..  trans-80.5139.6166.3-63.1-53.9176.300109.3I138 Y142 I239 N272 Y276I138-M140 HydrophobicContact CB-CE 4.35Å; I138-M140 HydrophobicContact CG2-CE 4.14Å; I138-M140 HydrophobicContact CG2-SD 4.13Å; I138-M140 PolarHBondContact O-N 3.21Å; M140-Y142 PolarHBondContact O-N 3.05Å; M140-I239 HydrophobicContact CB-CD1 4.48Å; M140-I239 HydrophobicContact CE-CB 4.07Å; M140-I239 HydrophobicContact CE-CD1 3.77Å; M140-I239 HydrophobicContact CE-CG1 4.24Å; M140-I239 HydrophobicContact CE-CG2 4.46Å; M140-I239 HydrophobicContact CG-CD1 3.35Å; M140-I239 HydrophobicContact CG-CG1 3.85Å; M140-I239 HydrophobicContact SD-CD1 4.41Å; M140-N272 HydrophobicContact SD-CB 4.19Å; M140-Y276 HydrophobicContact CE-CD2 4.31Å
141P90.5Very high83.3Confident70 Ų7062.1 Ų62.146%0.45535%0.346SS..SBendtrans-56.2-39174.6-2533.1000112.4P143 N272 T275P141-P143 VanDerWaalsContact O-CD 3.29Å; P141-P143 WeakPolarHBondContact O-CD 3.49Å; P141-N272 WeakPolarHBondContact CD-OD1 3.36Å; P141-T275 VanDerWaalsContact CD-OG1 3.25Å; P141-T275 WeakPolarHBondContact CD-OG1 3.49Å; P141-T275 HydrophobicContact CG-CG2 4.48Å; P141-T275 WeakPolarHBondContact CG-OG1 3.44Å
142Y93.3Very high84.7Confident94 Ų9455 Ų5537%0.36932%0.315SS..SBendtrans-110.393.2177.1-59.5-75.1000109.7M140 Y268 A271 N272M140-Y142 PolarHBondContact O-N 3.05Å; Y142-Y268 AromaticContact CD1-CD1 3.7Å; Y142-Y268 HydrophobicContact CD1-CD1 3.7Å; Y142-Y268 HydrophobicContact CD1-CD2 4.19Å; Y142-Y268 AromaticContact CD1-CE1 3.96Å; Y142-Y268 HydrophobicContact CD1-CE1 3.96Å; Y142-Y268 HydrophobicContact CD1-CE2 4.41Å; Y142-Y268 AromaticContact CD1-CG 3.83Å; Y142-Y268 HydrophobicContact CD1-CG 3.83Å; Y142-Y268 AromaticContact CD2-CD1 3.9Å; Y142-Y268 HydrophobicContact CD2-CD1 3.9Å; Y142-Y268 HydrophobicContact CD2-CG 4.01Å; Y142-Y268 AromaticContact CE1-CD1 3.52Å; Y142-Y268 HydrophobicContact CE1-CD1 3.52Å; Y142-Y268 AromaticContact CE1-CE1 3.5Å; Y142-Y268 HydrophobicContact CE1-CE1 3.5Å; Y142-Y268 HydrophobicContact CE1-CG 4.15Å; Y142-Y268 AromaticContact CE2-CD1 3.72Å; Y142-Y268 HydrophobicContact CE2-CD1 3.72Å; Y142-Y268 HydrophobicContact CE2-CE1 4.42Å; Y142-Y268 HydrophobicContact CE2-CG 4.31Å; Y142-Y268 AromaticContact CG-CD1 3.88Å; Y142-Y268 HydrophobicContact CG-CD1 3.88Å; Y142-Y268 HydrophobicContact CG-CD2 4.35Å; Y142-Y268 AromaticContact CG-CG 3.75Å; Y142-Y268 HydrophobicContact CG-CG 3.75Å; Y142-Y268 AromaticContact CZ-CD1 3.52Å; Y142-Y268 AromaticContact CZ-CE1 3.76Å; Y142-A271 HydrophobicContact CD2-CB 3.83Å; Y142-A271 HydrophobicContact CE2-CB 3.51Å; Y142-N272 PolarHBondContact N-OD1 3.47Å; Y142-N272 VanDerWaalsContact N-OD1 3.07Å; Y142-N272 PolarHBondContact O-ND2 3.24Å
143P89.5Confident85.9Confident85 Ų8553.4 Ų53.455%0.55231%0.306SS*.  trans-68.2144.5-178.528.5-35000111P141P141-P143 VanDerWaalsContact O-CD 3.29Å; P141-P143 WeakPolarHBondContact O-CD 3.49Å
144F90.8Very high87.1Confident24 Ų2448.4 Ų48.411%0.10528%0.279CS..  trans-136.4158.6175.561.4-86.1000110.5F117 H146 I239 V258 I259 G260 K261 M264F117-F144 HydrophobicContact CD1-CE2 4.38Å; F144-H146 HydrophobicContact CD2-CB 4.49Å; F144-H146 HydrophobicContact CE2-CB 4.08Å; F144-H146 PolarHBondContact O-N 3.05Å; F144-H146 VanDerWaalsContact O-N 3.08Å; F144-I239 HydrophobicContact CD1-CD1 4.41Å; F144-I239 HydrophobicContact CE1-CD1 3.28Å; F144-I239 HydrophobicContact CE2-CD1 4.38Å; F144-I239 HydrophobicContact CZ-CD1 3.26Å; F144-I239 HydrophobicContact CZ-CG1 4.47Å; F144-V258 HydrophobicContact CE2-CG1 3.73Å; F144-V258 HydrophobicContact CZ-CB 4.37Å; F144-V258 HydrophobicContact CZ-CG1 3.79Å; F144-I259 WeakPolarHBondContact CE1-O 3.48Å; F144-I259 VanDerWaalsContact CZ-C 3.48Å; F144-G260 VanDerWaalsContact CZ-CA 3.42Å; F144-K261 HydrophobicContact CD2-CG 4.19Å; F144-M264 HydrophobicContact CB-CE 4.42Å; F144-M264 HydrophobicContact CB-SD 3.76Å; F144-M264 HydrophobicContact CD1-SD 4.06Å; F144-M264 HydrophobicContact CG-SD 4.04Å
145A85.6Confident88Confident68 Ų6846 Ų4656%0.56227%0.27SS*.  trans-73.1102.5177.600000110.4F117 G147 K261F117-A145 WeakPolarHBondContact CE1-O 3.46Å; A145-G147 VanDerWaalsContact C-N 3.29Å; A145-G147 PolarHBondContact O-N 3.38Å; A145-K261 WeakPolarHBondContact O-CE 3.42Å
146H83.2Confident88.6Confident33 Ų3343.7 Ų43.715%0.15325%0.251CS..  trans-82.8-1.817957.3-88.4000113.6F144 Q148 I236F144-H146 HydrophobicContact CD2-CB 4.49Å; F144-H146 HydrophobicContact CE2-CB 4.08Å; F144-H146 PolarHBondContact O-N 3.05Å; F144-H146 VanDerWaalsContact O-N 3.08Å; H146-Q148 VanDerWaalsContact C-N 3.26Å; H146-Q148 VanDerWaalsContact CD2-CB 3.46Å; H146-Q148 WeakPolarHBondContact CD2-CB 3.42Å; H146-Q148 PolarHBondContact CD2-N 3.44Å; H146-Q148 PolarHBondContact NE2-O 3.19Å; H146-Q148 PolarHBondContact O-N 2.76Å; H146-I236 PolarHBondContact CE1-O 3.16Å
147G81.7Confident89.2Confident72 Ų7249 Ų4974%0.74227%0.273SS*.  trans75.31.1172.800000116.1A145A145-G147 VanDerWaalsContact C-N 3.29Å; A145-G147 PolarHBondContact O-N 3.38Å
148Q82.4Confident89.4Confident116 Ų11652.3 Ų52.354%0.54229%0.291SS..  trans-88128174.2-56.7168.7-4.900109H146 R150H146-Q148 VanDerWaalsContact C-N 3.26Å; H146-Q148 VanDerWaalsContact CD2-CB 3.46Å; H146-Q148 WeakPolarHBondContact CD2-CB 3.42Å; H146-Q148 PolarHBondContact CD2-N 3.44Å; H146-Q148 PolarHBondContact NE2-O 3.19Å; H146-Q148 PolarHBondContact O-N 2.76Å; Q148-R150 HydrophobicContact CB-CG 4.48Å
149K84.2Confident89.6Confident207 Ų20756 Ų5690%0.932%0.315SS*.  trans-86.4121.6165.3-66.7-177.1178.4-177.50106.9
150R88.2Confident89.9Confident39 Ų3960 Ų6015%0.14733%0.331CS..  trans-113.9131.6-179.4-67.8173.7178.1168.610.9110.2Q148 D193 Y194 F235 G238Q148-R150 HydrophobicContact CB-CG 4.48Å; R150-D193 VanDerWaalsContact CA-OD2 3.26Å; R150-D193 WeakPolarHBondContact CA-OD2 3.39Å; R150-D193 HydrophobicContact CB-CB 4.47Å; R150-Y194 HydrophobicContact CG-CD2 4.49Å; R150-Y194 HydrophobicContact CG-CE2 4.3Å; R150-F235 PolarHBondContact NH1-O 3.43Å; R150-G238 VanDerWaalsContact CZ-O 3.32Å; R150-G238 PolarHBondContact NH1-O 3.24Å; R150-G238 PolarHBondContact NH2-O 3.49Å; R150-G238 VanDerWaalsContact NH2-O 3.09Å
151T91.3Very high90Very high29 Ų2960.1 Ų60.118%0.17833%0.334CS..  trans-87.9115.8172.5-690000109.3E171 D191 V192 D193 Y194T151-E171 VanDerWaalsContact CB-OE2 3.23Å; T151-E171 WeakPolarHBondContact CB-OE2 2.88Å; T151-E171 HydrophobicContact CG2-CB 4.29Å; T151-E171 WeakPolarHBondContact CG2-OE2 3.46Å; T151-E171 PolarHBondContact OG1-OE2 3.24Å; T151-D191 WeakPolarHBondContact CB-O 3.12Å; T151-V192 HydrophobicContact CG2-CB 4.44Å; T151-V192 HydrophobicContact CG2-CG2 4.19Å; T151-D193 PolarHBondContact N-OD2 2.92Å; T151-D193 PolarHBondContact O-N 3.11Å; T151-Y194 PolarHBondContact O-N 3.48Å
152I92.7Very high90.1Very high2 Ų259 Ų591%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-110.5126.9-177.5-60.4169.5000110E171 Y194 V196 F235 I236I152-E171 PolarHBondContact O-N 3Å; I152-E171 VanDerWaalsContact O-N 3.1Å; I152-Y194 WeakPolarHBondContact CA-O 3.26Å; I152-V196 HydrophobicContact CG2-CG2 4.03Å; I152-F235 HydrophobicContact CD1-CB 3.81Å; I152-I236 HydrophobicContact CD1-CB 4.37Å; I152-I236 HydrophobicContact CD1-CD1 4.31Å; I152-I236 HydrophobicContact CD1-CG1 3.33Å
153L93.8Very high90.1Very high3 Ų359 Ų592%0.01633%0.328CS..EExtended strand (participates in β ladder)trans-101.2118.6176-173.168.2000110F155 I172 L178 I182 V192 Y194 S195 V196 M212L153-F155 HydrophobicContact CD2-CE1 4.16Å; L153-F155 HydrophobicContact CD2-CE2 3.61Å; L153-F155 HydrophobicContact CD2-CZ 3.3Å; L153-F155 HydrophobicContact CG-CE1 4.39Å; L153-F155 HydrophobicContact CG-CE2 3.91Å; L153-F155 HydrophobicContact CG-CZ 3.82Å; L153-I172 HydrophobicContact CD1-CB 3.57Å; L153-I172 HydrophobicContact CD1-CD1 4.5Å; L153-I172 HydrophobicContact CD1-CG2 3.58Å; L153-L178 HydrophobicContact CD1-CD1 4.34Å; L153-L178 HydrophobicContact CD1-CD2 3.72Å; L153-L178 HydrophobicContact CD1-CG 4.39Å; L153-L178 HydrophobicContact CG-CD2 4.33Å; L153-I182 HydrophobicContact CD2-CD1 3.81Å; L153-V192 HydrophobicContact CB-CG1 3.81Å; L153-Y194 PolarHBondContact N-O 2.94Å; L153-S195 CarbonylContact O-C 2.98Å; L153-S195 WeakPolarHBondContact O-CA 3.33Å; L153-V196 PolarHBondContact O-N 2.59Å; L153-M212 HydrophobicContact CD2-SD 4.36Å
154A94.5Very high90.3Very high1 Ų159.1 Ų59.11%0.00832%0.323CS..EExtended strand (participates in β ladder)trans-109.4125-178.300000111.6A165 A170 I172 T173 G174 V196 I228 V232A154-A165 HydrophobicContact CB-CB 3.74Å; A154-A170 HydrophobicContact CB-CB 3.77Å; A154-I172 PolarHBondContact N-O 3.27Å; A154-T173 HydrophobicContact CB-CG2 4.18Å; A154-T173 WeakPolarHBondContact O-CA 3.28Å; A154-G174 PolarHBondContact O-N 3.44Å; A154-G174 VanDerWaalsContact O-N 3.1Å; A154-V196 WeakPolarHBondContact CA-O 3.19Å; A154-I228 HydrophobicContact CB-CD1 3.99Å; A154-I228 HydrophobicContact CB-CG1 4.43Å; A154-V232 HydrophobicContact CB-CG2 4.3Å
155F94.6Very high90.4Very high0 Ų058 Ų580%032%0.318CS..EExtended strand (participates in β ladder)trans-104.3117.5179.4-64.5-75.7000111.1L153 G174 L178 V179 I182 V196 C197 H198 M201 L205 L208 M212L153-F155 HydrophobicContact CD2-CE1 4.16Å; L153-F155 HydrophobicContact CD2-CE2 3.61Å; L153-F155 HydrophobicContact CD2-CZ 3.3Å; L153-F155 HydrophobicContact CG-CE1 4.39Å; L153-F155 HydrophobicContact CG-CE2 3.91Å; L153-F155 HydrophobicContact CG-CZ 3.82Å; F155-G174 VanDerWaalsContact CA-O 3.29Å; F155-G174 WeakPolarHBondContact CA-O 3.04Å; F155-L178 HydrophobicContact CD1-CD2 3.83Å; F155-L178 HydrophobicContact CD1-CG 4.36Å; F155-L178 HydrophobicContact CE1-CB 4.44Å; F155-L178 HydrophobicContact CE1-CD2 3.68Å; F155-L178 HydrophobicContact CE1-CG 3.86Å; F155-V179 HydrophobicContact CD1-CG2 4.34Å; F155-V179 HydrophobicContact CE1-CG2 4.19Å; F155-I182 HydrophobicContact CE1-CD1 3.8Å; F155-I182 HydrophobicContact CZ-CD1 3.64Å; F155-V196 PolarHBondContact N-O 3.04Å; F155-C197 HydrophobicContact CB-CB 4.43Å; F155-H198 PolarHBondContact O-N 2.83Å; F155-M201 HydrophobicContact CB-CG 3.92Å; F155-L205 HydrophobicContact CB-CD1 4.18Å; F155-L205 HydrophobicContact CB-CD2 4.22Å; F155-L205 HydrophobicContact CD1-CD2 3.69Å; F155-L205 HydrophobicContact CD2-CD1 3.84Å; F155-L205 HydrophobicContact CD2-CD2 3.95Å; F155-L205 HydrophobicContact CE1-CD2 3.88Å; F155-L205 HydrophobicContact CE2-CD1 4.39Å; F155-L205 HydrophobicContact CE2-CD2 4.13Å; F155-L205 HydrophobicContact CG-CD1 4.08Å; F155-L205 HydrophobicContact CG-CD2 3.71Å; F155-L205 HydrophobicContact CZ-CD2 4.08Å; F155-L208 HydrophobicContact CE1-CD1 4.37Å; F155-L208 HydrophobicContact CZ-CD1 4.21Å; F155-M212 HydrophobicContact CE2-CE 3.93Å; F155-M212 HydrophobicContact CZ-CE 3.85Å
156A93.4Very high90.8Very high1 Ų157.9 Ų57.91%0.00831%0.314CS..  trans-145.6143174.800000110.7A161 Q162 G174 G175 H198 I228A156-A161 HydrophobicContact CB-CB 3.77Å; A156-Q162 HydrophobicContact CB-CG 3.89Å; A156-Q162 PolarHBondContact O-NE2 3.32Å; A156-G174 PolarHBondContact N-O 3.44Å; A156-G174 VanDerWaalsContact N-O 3.13Å; A156-G174 CarbonylContact O-C 3.48Å; A156-G175 WeakPolarHBondContact O-CA 3.18Å; A156-G175 PolarHBondContact O-N 2.96Å; A156-H198 HydrophobicContact CB-CB 4.12Å; A156-I228 HydrophobicContact CB-CD1 3.79Å
157K92.2Very high91.4Very high117 Ų11763.3 Ų63.351%0.50934%0.339SS..SBendtrans-79.4-43.6176.3-171.3172.4-178.2169.30111.3Q162 M201K157-Q162 PolarHBondContact O-NE2 3.1Å; K157-M201 HydrophobicContact CB-SD 4.35Å
158D92.3Very high91.8Very high76 Ų7660.7 Ų60.741%0.40631%0.31SS..SBendtrans-73.4130.2-178.9-60.7-53.2000111.7N160 A161 Q162D158-N160 PolarHBondContact O-N 2.88Å; D158-A161 HydrophobicContact CB-CB 4.2Å; D158-A161 PolarHBondContact O-N 3.34Å; D158-Q162 WeakPolarHBondContact O-CG 3.35Å; D158-Q162 PolarHBondContact O-N 2.77Å; D158-Q162 VanDerWaalsContact O-N 3.1Å
159P90.6Very high92.3Very high86 Ų8657.3 Ų57.356%0.55831%0.306SS*.Hα-helixtrans-57.4-36.1175.6-26.635.2000113.1A161 Q162 I163P159-A161 PolarHBondContact O-N 3.36Å; P159-Q162 WeakPolarHBondContact O-CB 3.49Å; P159-Q162 PolarHBondContact O-N 3.37Å; P159-I163 WeakPolarHBondContact O-CG1 3.46Å; P159-I163 PolarHBondContact O-N 3Å
160N92.8Very high92.6Very high125 Ų12547.7 Ų47.767%0.66827%0.266SS*.Hα-helixtrans-62.6-44.4177.7-66.9-25000111.7D158 Q162 I163 L164D158-N160 PolarHBondContact O-N 2.88Å; N160-Q162 VanDerWaalsContact C-N 3.29Å; N160-Q162 PolarHBondContact O-N 3.16Å; N160-I163 PolarHBondContact O-N 3.02Å; N160-L164 WeakPolarHBondContact O-CG 3.37Å; N160-L164 PolarHBondContact O-N 3.02Å
161A92Very high92.8Very high14 Ų1452 Ų5212%0.11629%0.287CS..Hα-helixtrans-65.7-34176.300000111.7A156 D158 P159 A165 I228A156-A161 HydrophobicContact CB-CB 3.77Å; D158-A161 HydrophobicContact CB-CB 4.2Å; D158-A161 PolarHBondContact O-N 3.34Å; P159-A161 PolarHBondContact O-N 3.36Å; A161-A165 WeakPolarHBondContact O-CB 3Å; A161-A165 PolarHBondContact O-N 3.45Å; A161-I228 HydrophobicContact CB-CG2 4.14Å; A161-I228 VanDerWaalsContact O-CG2 3.28Å; A161-I228 WeakPolarHBondContact O-CG2 3.38Å
162Q92.9Very high92.9Very high48 Ų4853 Ų5322%0.22429%0.291CS..Hα-helixtrans-65.4-40.9173.9-64.9171.926.400112.2A156 K157 D158 P159 N160 A165 S166A156-Q162 HydrophobicContact CB-CG 3.89Å; A156-Q162 PolarHBondContact O-NE2 3.32Å; K157-Q162 PolarHBondContact O-NE2 3.1Å; D158-Q162 WeakPolarHBondContact O-CG 3.35Å; D158-Q162 PolarHBondContact O-N 2.77Å; D158-Q162 VanDerWaalsContact O-N 3.1Å; P159-Q162 WeakPolarHBondContact O-CB 3.49Å; P159-Q162 PolarHBondContact O-N 3.37Å; N160-Q162 VanDerWaalsContact C-N 3.29Å; N160-Q162 PolarHBondContact O-N 3.16Å; Q162-A165 PolarHBondContact O-N 2.95Å; Q162-S166 PolarHBondContact O-N 2.76Å
163I94.1Very high92.9Very high93 Ų9355 Ų5548%0.47730%0.303SS..Hα-helixtrans-63.4-50175.9-65.8164.2000109.8P159 N160 A165 S166 E167P159-I163 WeakPolarHBondContact O-CG1 3.46Å; P159-I163 PolarHBondContact O-N 3Å; N160-I163 PolarHBondContact O-N 3.02Å; I163-A165 VanDerWaalsContact C-N 3.29Å; I163-A165 PolarHBondContact O-N 2.89Å; I163-S166 WeakPolarHBondContact O-CA 3.36Å; I163-S166 WeakPolarHBondContact O-CB 3.17Å; I163-S166 PolarHBondContact O-N 2.82Å; I163-E167 HydrophobicContact CG2-CG 4.37Å; I163-E167 WeakPolarHBondContact O-CG 2.88Å; I163-E167 PolarHBondContact O-N 3.3Å
164L93.9Very high92.8Very high88 Ų8855.2 Ų55.246%0.46131%0.306SS..Hα-helixtrans-59.1-38.4178.3-69175.1000112.7N160 A168 A229N160-L164 WeakPolarHBondContact O-CG 3.37Å; N160-L164 PolarHBondContact O-N 3.02Å; L164-A168 VanDerWaalsContact O-CB 3.31Å; L164-A168 WeakPolarHBondContact O-CB 3.07Å; L164-A168 PolarHBondContact O-N 2.9Å; L164-A229 HydrophobicContact CB-CB 4.37Å
165A92.9Very high92.7Very high0 Ų055.5 Ų55.50%031%0.31CS..Hα-helixtrans-65.5-40174.500000112.1A154 A161 Q162 I163 A168 G169 A170 T173 I228 V232A154-A165 HydrophobicContact CB-CB 3.74Å; A161-A165 WeakPolarHBondContact O-CB 3Å; A161-A165 PolarHBondContact O-N 3.45Å; Q162-A165 PolarHBondContact O-N 2.95Å; I163-A165 VanDerWaalsContact C-N 3.29Å; I163-A165 PolarHBondContact O-N 2.89Å; A165-A168 PolarHBondContact O-N 2.97Å; A165-G169 PolarHBondContact O-N 3.2Å; A165-A170 HydrophobicContact CB-CB 4.33Å; A165-A170 WeakPolarHBondContact O-CB 2.99Å; A165-A170 PolarHBondContact O-N 2.99Å; A165-T173 HydrophobicContact CB-CG2 3.88Å; A165-I228 HydrophobicContact CB-CD1 4.07Å; A165-I228 HydrophobicContact CB-CG1 4.04Å; A165-I228 HydrophobicContact CB-CG2 3.98Å; A165-V232 HydrophobicContact CB-CG2 4.33Å
166S93.7Very high92.6Very high66 Ų6658.1 Ų58.146%0.46233%0.326SS..Hα-helixtrans-66-42.8177.5-168.30000111.3Q162 I163 A168 G169Q162-S166 PolarHBondContact O-N 2.76Å; I163-S166 WeakPolarHBondContact O-CA 3.36Å; I163-S166 WeakPolarHBondContact O-CB 3.17Å; I163-S166 PolarHBondContact O-N 2.82Å; S166-A168 VanDerWaalsContact C-N 3.3Å; S166-A168 PolarHBondContact O-N 3.43Å; S166-G169 PolarHBondContact O-N 2.7Å
167E94.3Very high92.5Very high147 Ų14764.9 Ų64.969%0.68736%0.357SS*.Hα-helixtrans-65.4-33.7175.7-70.6178.6170.100112.3I163 G169I163-E167 HydrophobicContact CG2-CG 4.37Å; I163-E167 WeakPolarHBondContact O-CG 2.88Å; I163-E167 PolarHBondContact O-N 3.3Å; E167-G169 PolarHBondContact O-N 3.1Å
168A91.9Very high92.5Very high16 Ų1659.8 Ų59.813%0.13234%0.336CS..THydrogen-bonded Turntrans-70.6-13.3175.900000113.7L164 A165 S166 A229 V232 K233 I236L164-A168 VanDerWaalsContact O-CB 3.31Å; L164-A168 WeakPolarHBondContact O-CB 3.07Å; L164-A168 PolarHBondContact O-N 2.9Å; A165-A168 PolarHBondContact O-N 2.97Å; S166-A168 VanDerWaalsContact C-N 3.3Å; S166-A168 PolarHBondContact O-N 3.43Å; A168-A229 HydrophobicContact CB-CB 4.18Å; A168-V232 HydrophobicContact CB-CB 3.93Å; A168-V232 HydrophobicContact CB-CG1 3.79Å; A168-K233 HydrophobicContact CB-CG 4.42Å; A168-I236 VanDerWaalsContact O-CD1 3.23Å; A168-I236 WeakPolarHBondContact O-CD1 3.28Å
169G91.3Very high92.4Very high45 Ų4556.5 Ų56.546%0.46432%0.318SS..THydrogen-bonded Turntrans108.817.817800000115.3A165 S166 E167A165-G169 PolarHBondContact O-N 3.2Å; S166-G169 PolarHBondContact O-N 2.7Å; E167-G169 PolarHBondContact O-N 3.1Å
170A91.8Very high92.5Very high6 Ų658.4 Ų58.45%0.0532%0.318CS..  trans-70.1130.8168.700000110.1A154 A165 T173 V232A154-A170 HydrophobicContact CB-CB 3.77Å; A165-A170 HydrophobicContact CB-CB 4.33Å; A165-A170 WeakPolarHBondContact O-CB 2.99Å; A165-A170 PolarHBondContact O-N 2.99Å; A170-T173 HydrophobicContact CB-CG2 3.77Å; A170-V232 HydrophobicContact CB-CG1 4.19Å; A170-V232 HydrophobicContact CB-CG2 4.18Å
171E92.2Very high92.5Very high128 Ų12857.4 Ų57.460%0.59831%0.307SS*.SBendtrans-72.9-39.2-176.8-173.7176.2160.600111.7T151 I152T151-E171 VanDerWaalsContact CB-OE2 3.23Å; T151-E171 WeakPolarHBondContact CB-OE2 2.88Å; T151-E171 HydrophobicContact CG2-CB 4.29Å; T151-E171 WeakPolarHBondContact CG2-OE2 3.46Å; T151-E171 PolarHBondContact OG1-OE2 3.24Å; I152-E171 PolarHBondContact O-N 3Å; I152-E171 VanDerWaalsContact O-N 3.1Å
172I92.5Very high92.5Very high51 Ų5156.9 Ų56.926%0.26230%0.302SS..EExtended strand (participates in β ladder)trans-131.8123.8179.6-56.7173.6000108.1L153 A154 L178 I187L153-I172 HydrophobicContact CD1-CB 3.57Å; L153-I172 HydrophobicContact CD1-CD1 4.5Å; L153-I172 HydrophobicContact CD1-CG2 3.58Å; A154-I172 PolarHBondContact N-O 3.27Å; I172-L178 HydrophobicContact CG2-CD1 3.74Å; I172-L178 HydrophobicContact CG2-CD2 4.15Å; I172-I187 HydrophobicContact CD1-CG2 4.42Å
173T93Very high92.4Very high43 Ų4358.5 Ų58.526%0.26431%0.312SS..EExtended strand (participates in β ladder)trans-117.7145.6175.962.60000110.3A154 A165 A170A154-T173 HydrophobicContact CB-CG2 4.18Å; A154-T173 WeakPolarHBondContact O-CA 3.28Å; A165-T173 HydrophobicContact CB-CG2 3.88Å; A170-T173 HydrophobicContact CB-CG2 3.77Å
174G92.4Very high92.2Very high8 Ų862.2 Ų62.28%0.08233%0.325CS..EExtended strand (participates in β ladder)trans173.1167.4173.300000114.6A154 F155 A156A154-G174 PolarHBondContact O-N 3.44Å; A154-G174 VanDerWaalsContact O-N 3.1Å; F155-G174 VanDerWaalsContact CA-O 3.29Å; F155-G174 WeakPolarHBondContact CA-O 3.04Å; A156-G174 PolarHBondContact N-O 3.44Å; A156-G174 VanDerWaalsContact N-O 3.13Å; A156-G174 CarbonylContact O-C 3.48Å
175G91.5Very high91.9Very high8 Ų860.8 Ų60.88%0.08233%0.331CS..SBendtrans-102.3-131.9177.500000112.9A156 E177 L178 V179A156-G175 WeakPolarHBondContact O-CA 3.18Å; A156-G175 PolarHBondContact O-N 2.96Å; G175-E177 PolarHBondContact O-N 3.01Å; G175-L178 WeakPolarHBondContact O-CB 3.35Å; G175-L178 PolarHBondContact O-N 2.63Å; G175-L178 VanDerWaalsContact O-N 3.1Å; G175-V179 PolarHBondContact O-N 2.8Å
176V91.9Very high91.6Very high55 Ų5565.6 Ų65.633%0.33336%0.361SS..Hα-helixtrans-58.1-32.9-177.8-159.20000113.3L178 V179 K180 M201 E204V176-L178 VanDerWaalsContact C-N 3.33Å; V176-V179 WeakPolarHBondContact O-CB 3.16Å; V176-V179 PolarHBondContact O-N 3.02Å; V176-K180 WeakPolarHBondContact O-CG 3.26Å; V176-K180 PolarHBondContact O-N 3.44Å; V176-K180 VanDerWaalsContact O-N 3.12Å; V176-M201 HydrophobicContact CG2-CE 4.21Å; V176-E204 VanDerWaalsContact CG1-OE2 3.32Å; V176-E204 WeakPolarHBondContact CG1-OE2 3.21Å; V176-E204 WeakPolarHBondContact CG2-OE2 3.46Å
177E92.2Very high91.1Very high143 Ų14364 Ų6467%0.66835%0.347SS*.Hα-helixtrans-65.5-39.1179-61.5-172.6176.900112.2G175 V179 K180 K181G175-E177 PolarHBondContact O-N 3.01Å; E177-V179 VanDerWaalsContact C-N 3.34Å; E177-K180 PolarHBondContact O-N 3.46Å; E177-K181 WeakPolarHBondContact O-CG 3.27Å; E177-K181 PolarHBondContact O-N 3.19Å
178L91.6Very high90.7Very high10 Ų1065.3 Ų65.35%0.05235%0.346CS..Hα-helixtrans-65.5-41.8177.8-177.861.3000110.3L153 F155 I172 G175 V176 K180 K181 I182 I187L153-L178 HydrophobicContact CD1-CD1 4.34Å; L153-L178 HydrophobicContact CD1-CD2 3.72Å; L153-L178 HydrophobicContact CD1-CG 4.39Å; L153-L178 HydrophobicContact CG-CD2 4.33Å; F155-L178 HydrophobicContact CD1-CD2 3.83Å; F155-L178 HydrophobicContact CD1-CG 4.36Å; F155-L178 HydrophobicContact CE1-CB 4.44Å; F155-L178 HydrophobicContact CE1-CD2 3.68Å; F155-L178 HydrophobicContact CE1-CG 3.86Å; I172-L178 HydrophobicContact CG2-CD1 3.74Å; I172-L178 HydrophobicContact CG2-CD2 4.15Å; G175-L178 WeakPolarHBondContact O-CB 3.35Å; G175-L178 PolarHBondContact O-N 2.63Å; G175-L178 VanDerWaalsContact O-N 3.1Å; V176-L178 VanDerWaalsContact C-N 3.33Å; L178-K180 VanDerWaalsContact C-N 3.33Å; L178-K180 PolarHBondContact O-N 3.44Å; L178-K181 PolarHBondContact O-N 3.36Å; L178-K181 VanDerWaalsContact O-N 3.16Å; L178-I182 HydrophobicContact CD1-CD1 4.43Å; L178-I182 HydrophobicContact CG-CD1 4.09Å; L178-I182 VanDerWaalsContact O-CG1 3.27Å; L178-I182 WeakPolarHBondContact O-CG1 3.27Å; L178-I182 PolarHBondContact O-N 3.31Å; L178-I187 HydrophobicContact CD1-CD1 3.2Å
179V91.7Very high90.4Very high7 Ų765.9 Ų65.94%0.04235%0.346CS..Hα-helixtrans-55.5-47.3173176.60000111.5F155 G175 V176 E177 K181 I182 L183 M201 L205 L208F155-V179 HydrophobicContact CD1-CG2 4.34Å; F155-V179 HydrophobicContact CE1-CG2 4.19Å; G175-V179 PolarHBondContact O-N 2.8Å; V176-V179 WeakPolarHBondContact O-CB 3.16Å; V176-V179 PolarHBondContact O-N 3.02Å; E177-V179 VanDerWaalsContact C-N 3.34Å; V179-K181 PolarHBondContact O-N 3.27Å; V179-I182 PolarHBondContact O-N 3.49Å; V179-L183 HydrophobicContact CG1-CD1 4.13Å; V179-L183 WeakPolarHBondContact O-CG 3.45Å; V179-L183 PolarHBondContact O-N 3.23Å; V179-M201 HydrophobicContact CG2-CE 4.47Å; V179-L205 HydrophobicContact CG2-CD2 3.61Å; V179-L208 HydrophobicContact CB-CD1 3.98Å; V179-L208 HydrophobicContact CG1-CD1 3.6Å; V179-L208 HydrophobicContact CG1-CD2 4.33Å; V179-L208 HydrophobicContact CG1-CG 3.9Å; V179-L208 HydrophobicContact CG2-CD1 3.73Å
180K92.7Very high90.2Very high125 Ų12569.8 Ų69.854%0.54336%0.357SS..Hα-helixtrans-63.7-39.3177.1-68.6175-175.7174.40112.5V176 E177 L178 L183 K184V176-K180 WeakPolarHBondContact O-CG 3.26Å; V176-K180 PolarHBondContact O-N 3.44Å; V176-K180 VanDerWaalsContact O-N 3.12Å; E177-K180 PolarHBondContact O-N 3.46Å; L178-K180 VanDerWaalsContact C-N 3.33Å; L178-K180 PolarHBondContact O-N 3.44Å; K180-L183 PolarHBondContact O-N 3.11Å; K180-K184 VanDerWaalsContact O-CG 3.3Å; K180-K184 WeakPolarHBondContact O-CG 3.38Å; K180-K184 PolarHBondContact O-N 3.01Å
181K92Very high89.9Confident104 Ų10474 Ų7445%0.45238%0.378SS..Hα-helixtrans-64.4-39.5176.5-72.9174.7-175.8174.70111.8E177 L178 V179 K184 G185 T186 I187E177-K181 WeakPolarHBondContact O-CG 3.27Å; E177-K181 PolarHBondContact O-N 3.19Å; L178-K181 PolarHBondContact O-N 3.36Å; L178-K181 VanDerWaalsContact O-N 3.16Å; V179-K181 PolarHBondContact O-N 3.27Å; K181-K184 PolarHBondContact O-N 3.11Å; K181-G185 PolarHBondContact O-N 3.42Å; K181-T186 WeakPolarHBondContact O-CB 3.23Å; K181-T186 PolarHBondContact O-N 2.78Å; K181-T186 PolarHBondContact O-OG1 3.13Å; K181-I187 HydrophobicContact CB-CD1 4.35Å
182I91.6Very high89.8Confident3 Ų368.2 Ų68.22%0.01535%0.352CS..Hα-helixtrans-68.7-43.6177-62.7163.6000110.8L153 F155 L178 V179 K184 G185 I187 I189 L208L153-I182 HydrophobicContact CD2-CD1 3.81Å; F155-I182 HydrophobicContact CE1-CD1 3.8Å; F155-I182 HydrophobicContact CZ-CD1 3.64Å; L178-I182 HydrophobicContact CD1-CD1 4.43Å; L178-I182 HydrophobicContact CG-CD1 4.09Å; L178-I182 VanDerWaalsContact O-CG1 3.27Å; L178-I182 WeakPolarHBondContact O-CG1 3.27Å; L178-I182 PolarHBondContact O-N 3.31Å; V179-I182 PolarHBondContact O-N 3.49Å; I182-K184 VanDerWaalsContact C-N 3.26Å; I182-K184 PolarHBondContact O-N 3Å; I182-G185 PolarHBondContact O-N 3.01Å; I182-I187 HydrophobicContact CG1-CB 4.19Å; I182-I187 HydrophobicContact CG1-CD1 4.1Å; I182-I189 HydrophobicContact CG2-CD1 3.58Å; I182-I189 HydrophobicContact CG2-CG1 3.84Å; I182-L208 HydrophobicContact CB-CD2 3.78Å; I182-L208 HydrophobicContact CG2-CD2 3.5Å
183L90.3Very high89.7Confident82 Ų8269 Ų6943%0.42936%0.356SS..Hα-helixtrans-59.8-36.2175.5-75.1171.1000112.7V179 K180 G185 P207 L208 I211V179-L183 HydrophobicContact CG1-CD1 4.13Å; V179-L183 WeakPolarHBondContact O-CG 3.45Å; V179-L183 PolarHBondContact O-N 3.23Å; K180-L183 PolarHBondContact O-N 3.11Å; L183-G185 PolarHBondContact O-N 3.27Å; L183-P207 HydrophobicContact CD1-CB 4.39Å; L183-P207 HydrophobicContact CD2-CB 4.26Å; L183-L208 HydrophobicContact CD2-CD2 4.12Å; L183-L208 HydrophobicContact CG-CD2 4.03Å; L183-I211 HydrophobicContact CD2-CD1 3.6Å
184K91.4Very high89.6Confident171 Ų17169.1 Ų69.174%0.74335%0.352SS*.THydrogen-bonded Turntrans-74-9.9174.6-71.9176.6-178.4-174.60113.5K180 K181 I182 T186K180-K184 VanDerWaalsContact O-CG 3.3Å; K180-K184 WeakPolarHBondContact O-CG 3.38Å; K180-K184 PolarHBondContact O-N 3.01Å; K181-K184 PolarHBondContact O-N 3.11Å; I182-K184 VanDerWaalsContact C-N 3.26Å; I182-K184 PolarHBondContact O-N 3Å; K184-T186 VanDerWaalsContact C-N 3.35Å
185G86Confident89.5Confident58 Ų5869 Ų6960%0.59835%0.35SS*.THydrogen-bonded Turntrans75.319.8-176.200000114.3K181 I182 L183 I187K181-G185 PolarHBondContact O-N 3.42Å; I182-G185 PolarHBondContact O-N 3.01Å; L183-G185 PolarHBondContact O-N 3.27Å; G185-I187 VanDerWaalsContact C-N 3.32Å
186T86.6Confident89.6Confident102 Ų10268.6 Ų68.663%0.62635%0.346SS*.  trans-69.9-32.6176.8-51.60000111.8K181 K184K181-T186 WeakPolarHBondContact O-CB 3.23Å; K181-T186 PolarHBondContact O-N 2.78Å; K181-T186 PolarHBondContact O-OG1 3.13Å; K184-T186 VanDerWaalsContact C-N 3.35Å
187I84.7Confident89.7Confident32 Ų3266 Ų6616%0.16433%0.33CS..SBendtrans-102.9130178.5-61.1178.5000108.5I172 L178 K181 I182 G185 I189I172-I187 HydrophobicContact CD1-CG2 4.42Å; L178-I187 HydrophobicContact CD1-CD1 3.2Å; K181-I187 HydrophobicContact CB-CD1 4.35Å; I182-I187 HydrophobicContact CG1-CB 4.19Å; I182-I187 HydrophobicContact CG1-CD1 4.1Å; G185-I187 VanDerWaalsContact C-N 3.32Å; I187-I189 PolarHBondContact O-N 2.95Å
188R85.1Confident89.8Confident174 Ų17460.2 Ų60.266%0.65730%0.303SS*.  trans-76.4108.4176-60.4-177.178.8-177.62.4108.9D190 D191R188-D190 PolarHBondContact O-N 2.91Å; R188-D191 WeakPolarHBondContact CB-OD2 3.25Å; R188-D191 IonicContact NE-OD2 2.96Å; R188-D191 PolarHBondContact O-N 3.27Å
189I85.8Confident89.8Confident28 Ų2864.7 Ų64.714%0.14433%0.327CS..G310 helixtrans-68.9-22.5178.9-62.2163.3000110.9I182 I187 D191 V192 I211 M212 K215I182-I189 HydrophobicContact CG2-CD1 3.58Å; I182-I189 HydrophobicContact CG2-CG1 3.84Å; I187-I189 PolarHBondContact O-N 2.95Å; I189-D191 VanDerWaalsContact C-N 3.26Å; I189-D191 PolarHBondContact O-N 3.46Å; I189-V192 PolarHBondContact O-N 3.25Å; I189-I211 HydrophobicContact CD1-CB 4.04Å; I189-I211 HydrophobicContact CD1-CG2 3.14Å; I189-M212 HydrophobicContact CD1-CG 4.15Å; I189-M212 HydrophobicContact CG1-CG 4.44Å; I189-M212 HydrophobicContact CG2-CG 3.96Å; I189-K215 HydrophobicContact CG2-CD 4.04Å; I189-K215 WeakPolarHBondContact O-CD 3.31Å; I189-K215 PolarHBondContact O-NZ 3.42Å
190D86.5Confident89.7Confident128 Ų12868.4 Ų68.468%0.68435%0.346SS*.G310 helixtrans-64-31.5-179.5-63.5-32.4000112.7R188 K215R188-D190 PolarHBondContact O-N 2.91Å; D190-K215 VanDerWaalsContact C-NZ 3.26Å; D190-K215 PolarHBondContact O-NZ 3.18Å
191D86.9Confident89.6Confident93 Ų9362.4 Ų62.450%0.49732%0.32SS..G310 helixtrans-83.2-14.6-178.8-56.9-32000112.7T151 R188 I189T151-D191 WeakPolarHBondContact CB-O 3.12Å; R188-D191 WeakPolarHBondContact CB-OD2 3.25Å; R188-D191 IonicContact NE-OD2 2.96Å; R188-D191 PolarHBondContact O-N 3.27Å; I189-D191 VanDerWaalsContact C-N 3.26Å; I189-D191 PolarHBondContact O-N 3.46Å
192V89.4Confident89.2Confident7 Ų758.6 Ų58.64%0.04231%0.31CS..  trans-86128179.4178.90000110.3T151 L153 I189 Y194 K215T151-V192 HydrophobicContact CG2-CB 4.44Å; T151-V192 HydrophobicContact CG2-CG2 4.19Å; L153-V192 HydrophobicContact CB-CG1 3.81Å; I189-V192 PolarHBondContact O-N 3.25Å; V192-Y194 WeakPolarHBondContact CG1-O 3.19Å; V192-K215 WeakPolarHBondContact O-CD 3.3Å; V192-K215 WeakPolarHBondContact O-CE 3.12Å; V192-K215 PolarHBondContact O-NZ 3.26Å
193D89.6Confident89Confident67 Ų6763.3 Ų63.336%0.35834%0.34SS..  trans-87.9-50.3178.2-64.2-55.5000111.9R150 T151R150-D193 VanDerWaalsContact CA-OD2 3.26Å; R150-D193 WeakPolarHBondContact CA-OD2 3.39Å; R150-D193 HydrophobicContact CB-CB 4.47Å; T151-D193 PolarHBondContact N-OD2 2.92Å; T151-D193 PolarHBondContact O-N 3.11Å
194Y91.2Very high89Confident47 Ų4762.1 Ų62.118%0.18433%0.332CS..EExtended strand (participates in β ladder)trans-130.8151.1-175.2-63.9-78000111.1R150 T151 I152 L153 V192 M221 F235R150-Y194 HydrophobicContact CG-CD2 4.49Å; R150-Y194 HydrophobicContact CG-CE2 4.3Å; T151-Y194 PolarHBondContact O-N 3.48Å; I152-Y194 WeakPolarHBondContact CA-O 3.26Å; L153-Y194 PolarHBondContact N-O 2.94Å; V192-Y194 WeakPolarHBondContact CG1-O 3.19Å; Y194-M221 HydrophobicContact CD1-CE 4.07Å; Y194-M221 HydrophobicContact CE1-CE 4.22Å; Y194-F235 AromaticContact CD1-CD1 3.8Å; Y194-F235 HydrophobicContact CD1-CD1 3.8Å; Y194-F235 AromaticContact CD1-CE1 3.87Å; Y194-F235 HydrophobicContact CD1-CE1 3.87Å; Y194-F235 AromaticContact CG-CD1 3.78Å; Y194-F235 HydrophobicContact CG-CD1 3.78Å; Y194-F235 HydrophobicContact CG-CE1 4.29Å
195S91.9Very high88.8Confident4 Ų454 Ų543%0.02830%0.297CS..EExtended strand (participates in β ladder)trans-127.5143.5169.767.10000111.2L153 K215 P217L153-S195 CarbonylContact O-C 2.98Å; L153-S195 WeakPolarHBondContact O-CA 3.33Å; S195-K215 PolarHBondContact OG-O 3.35Å; S195-P217 WeakPolarHBondContact OG-CD 3.41Å
196V93.3Very high89Confident0 Ų055.1 Ų55.10%029%0.289CS..EExtended strand (participates in β ladder)trans-124.5144.6-177.6178.80000108.2I152 L153 A154 F155 A223 I228 L231 F235I152-V196 HydrophobicContact CG2-CG2 4.03Å; L153-V196 PolarHBondContact O-N 2.59Å; A154-V196 WeakPolarHBondContact CA-O 3.19Å; F155-V196 PolarHBondContact N-O 3.04Å; V196-A223 WeakPolarHBondContact CA-O 3.5Å; V196-I228 HydrophobicContact CG1-CG1 4.15Å; V196-L231 HydrophobicContact CG1-CB 3.52Å; V196-L231 HydrophobicContact CG1-CD1 3.8Å; V196-L231 HydrophobicContact CG1-CG 4.31Å; V196-F235 HydrophobicContact CG2-CB 4.37Å; V196-F235 HydrophobicContact CG2-CD2 3.52Å; V196-F235 HydrophobicContact CG2-CE2 4Å; V196-F235 HydrophobicContact CG2-CG 3.92Å
197C93.7Very high89.1Confident0 Ų054 Ų540%028%0.283CS..EExtended strand (participates in β ladder)trans-135.4134.5-175-178.20000111.9F155 L205 P217 A223 I224 G225F155-C197 HydrophobicContact CB-CB 4.43Å; C197-L205 HydrophobicContact CB-CD1 3.72Å; C197-L205 WeakPolarHBondContact SG-CD1 3.2Å; C197-P217 HydrophobicContact CB-CB 3.97Å; C197-P217 HydrophobicContact CB-CG 3.96Å; C197-A223 PolarHBondContact N-O 2.83Å; C197-I224 HydrophobicContact CB-CG1 4.24Å; C197-I224 WeakPolarHBondContact O-CA 3.07Å; C197-G225 PolarHBondContact O-N 2.91Å
198H94.2Very high89.3Confident22 Ų2252.5 Ų52.510%0.10228%0.276CS..EExtended strand (participates in β ladder)trans-69.6147164.5-168.3-108000110.9F155 A156 D200 M201 G225 T226F155-H198 PolarHBondContact O-N 2.83Å; A156-H198 HydrophobicContact CB-CB 4.12Å; H198-D200 VanDerWaalsContact CE1-CG 3.5Å; H198-D200 IonicContact CE1-OD1 3.21Å; H198-D200 IonicContact CE1-OD2 2.96Å; H198-D200 PolarHBondContact CE1-OD2 3.11Å; H198-D200 PolarHBondContact ND1-N 2.94Å; H198-D200 IonicContact ND1-OD2 3.46Å; H198-D200 PolarHBondContact ND1-OD2 3.02Å; H198-D200 PolarHBondContact O-N 2.96Å; H198-M201 PolarHBondContact O-N 2.89Å; H198-G225 WeakPolarHBondContact CA-O 3.48Å; H198-G225 PolarHBondContact CD2-O 3.37Å; H198-T226 PolarHBondContact CD2-O 3.42Å; H198-T226 PolarHBondContact NE2-O 2.96Å
199L91.3Very high89.4Confident105 Ų10551.2 Ų51.255%0.5527%0.271SS..G310 helixtrans-53.5-40.2-176.5-172.163.7000113.2M201 G202 I224 G225 T226L199-M201 PolarHBondContact O-N 2.79Å; L199-G202 PolarHBondContact O-N 3.36Å; L199-I224 HydrophobicContact CD1-CG2 4.23Å; L199-G225 PolarHBondContact N-O 2.74Å; L199-G225 VanDerWaalsContact N-O 3.08Å; L199-T226 HydrophobicContact CD2-CG2 4.41Å
200D90Very high89.5Confident84 Ų8452.6 Ų52.645%0.44929%0.292SS..G310 helixtrans-65.6-23.7-177.2-55.8-28.4000113.9H198H198-D200 VanDerWaalsContact CE1-CG 3.5Å; H198-D200 IonicContact CE1-OD1 3.21Å; H198-D200 IonicContact CE1-OD2 2.96Å; H198-D200 PolarHBondContact CE1-OD2 3.11Å; H198-D200 PolarHBondContact ND1-N 2.94Å; H198-D200 IonicContact ND1-OD2 3.46Å; H198-D200 PolarHBondContact ND1-OD2 3.02Å; H198-D200 PolarHBondContact O-N 2.96Å
201M89.3Confident89.6Confident0 Ų050.2 Ų50.20%028%0.278CS..G310 helixtrans-92.5-8.9-174.1-164.974.4-109.200111.8F155 K157 V176 V179 H198 L199 T203 E204 L205F155-M201 HydrophobicContact CB-CG 3.92Å; K157-M201 HydrophobicContact CB-SD 4.35Å; V176-M201 HydrophobicContact CG2-CE 4.21Å; V179-M201 HydrophobicContact CG2-CE 4.47Å; H198-M201 PolarHBondContact O-N 2.89Å; L199-M201 PolarHBondContact O-N 2.79Å; M201-T203 VanDerWaalsContact C-N 3.28Å; M201-T203 PolarHBondContact O-N 3.09Å; M201-E204 HydrophobicContact CE-CB 3.26Å; M201-E204 HydrophobicContact CE-CG 3.68Å; M201-E204 WeakPolarHBondContact CE-OE2 3.48Å; M201-E204 PolarHBondContact O-N 3.37Å; M201-L205 HydrophobicContact CG-CD2 4.47Å; M201-L205 HydrophobicContact CG-CG 4.37Å; M201-L205 WeakPolarHBondContact O-CG 3.33Å; M201-L205 PolarHBondContact O-N 3.03Å
202G85.1Confident89.5Confident24 Ų2446 Ų4625%0.24726%0.256CS..THydrogen-bonded Turntrans-60.3-31.7-17200000114.6L199L199-G202 PolarHBondContact O-N 3.36Å
203T87.8Confident89.3Confident102 Ų10253.6 Ų53.663%0.62629%0.288SS*.THydrogen-bonded Turntrans-73.1-39.1-179.752.10000112.7M201 L205 N206M201-T203 VanDerWaalsContact C-N 3.28Å; M201-T203 PolarHBondContact O-N 3.09Å; T203-L205 VanDerWaalsContact C-N 3.34Å; T203-N206 WeakPolarHBondContact O-CB 3.38Å; T203-N206 PolarHBondContact O-ND2 3.09Å
204E88.4Confident89Confident57 Ų5758.9 Ų58.927%0.26631%0.308SS..THydrogen-bonded Turntrans-81.6-15.2-176-50.3-175.9-165.200112.5V176 M201 N206 P207V176-E204 VanDerWaalsContact CG1-OE2 3.32Å; V176-E204 WeakPolarHBondContact CG1-OE2 3.21Å; V176-E204 WeakPolarHBondContact CG2-OE2 3.46Å; M201-E204 HydrophobicContact CE-CB 3.26Å; M201-E204 HydrophobicContact CE-CG 3.68Å; M201-E204 WeakPolarHBondContact CE-OE2 3.48Å; M201-E204 PolarHBondContact O-N 3.37Å; E204-N206 VanDerWaalsContact C-N 3.28Å; E204-N206 PolarHBondContact O-N 3.41Å; E204-P207 WeakPolarHBondContact O-CD 3.34Å
205L88.5Confident88.8Confident1 Ų159.2 Ų59.21%0.00531%0.31CS..THydrogen-bonded Turntrans-75-14173.3-68.3-171.7000113.7F155 V179 C197 M201 T203 P207 L208 F216 P217F155-L205 HydrophobicContact CB-CD1 4.18Å; F155-L205 HydrophobicContact CB-CD2 4.22Å; F155-L205 HydrophobicContact CD1-CD2 3.69Å; F155-L205 HydrophobicContact CD2-CD1 3.84Å; F155-L205 HydrophobicContact CD2-CD2 3.95Å; F155-L205 HydrophobicContact CE1-CD2 3.88Å; F155-L205 HydrophobicContact CE2-CD1 4.39Å; F155-L205 HydrophobicContact CE2-CD2 4.13Å; F155-L205 HydrophobicContact CG-CD1 4.08Å; F155-L205 HydrophobicContact CG-CD2 3.71Å; F155-L205 HydrophobicContact CZ-CD2 4.08Å; V179-L205 HydrophobicContact CG2-CD2 3.61Å; C197-L205 HydrophobicContact CB-CD1 3.72Å; C197-L205 WeakPolarHBondContact SG-CD1 3.2Å; M201-L205 HydrophobicContact CG-CD2 4.47Å; M201-L205 HydrophobicContact CG-CG 4.37Å; M201-L205 WeakPolarHBondContact O-CG 3.33Å; M201-L205 PolarHBondContact O-N 3.03Å; T203-L205 VanDerWaalsContact C-N 3.34Å; L205-P207 VanDerWaalsContact C-N 3.34Å; L205-L208 HydrophobicContact CD2-CD1 3.58Å; L205-L208 VanDerWaalsContact O-CB 3.3Å; L205-L208 WeakPolarHBondContact O-CB 3.12Å; L205-L208 PolarHBondContact O-N 2.92Å; L205-F216 HydrophobicContact CB-CE2 4.08Å; L205-F216 HydrophobicContact CB-CZ 4.26Å; L205-F216 WeakPolarHBondContact O-CE2 3.46Å; L205-P217 HydrophobicContact CD1-CG 3.58Å
206N89.8Confident88.7Confident81 Ų8160 Ų6043%0.43331%0.313SS..G310 helixtrans-50.5-41.6-176.1-76.6-35.6000114.9T203 E204 L208 R209T203-N206 WeakPolarHBondContact O-CB 3.38Å; T203-N206 PolarHBondContact O-ND2 3.09Å; E204-N206 VanDerWaalsContact C-N 3.28Å; E204-N206 PolarHBondContact O-N 3.41Å; N206-L208 PolarHBondContact O-N 2.98Å; N206-R209 WeakPolarHBondContact O-CB 3.49Å; N206-R209 PolarHBondContact O-N 3.47Å; N206-R209 PolarHBondContact OD1-NH2 2.72Å
207P88.7Confident88.5Confident79 Ų7960 Ų6051%0.51331%0.314SS..G310 helixtrans-61.2-25.9176.4-23.335.6000113.9L183 E204 L205 R209L183-P207 HydrophobicContact CD1-CB 4.39Å; L183-P207 HydrophobicContact CD2-CB 4.26Å; E204-P207 WeakPolarHBondContact O-CD 3.34Å; L205-P207 VanDerWaalsContact C-N 3.34Å; P207-R209 VanDerWaalsContact C-N 3.3Å; P207-R209 PolarHBondContact O-N 2.95Å
208L89.2Confident88.1Confident0 Ų062.1 Ų62.10%033%0.328CS..G310 helixtrans-78.2-14.2-179-65.2164.5000113.4F155 V179 I182 L183 L205 N206 G210 I211 M212F155-L208 HydrophobicContact CE1-CD1 4.37Å; F155-L208 HydrophobicContact CZ-CD1 4.21Å; V179-L208 HydrophobicContact CB-CD1 3.98Å; V179-L208 HydrophobicContact CG1-CD1 3.6Å; V179-L208 HydrophobicContact CG1-CD2 4.33Å; V179-L208 HydrophobicContact CG1-CG 3.9Å; V179-L208 HydrophobicContact CG2-CD1 3.73Å; I182-L208 HydrophobicContact CB-CD2 3.78Å; I182-L208 HydrophobicContact CG2-CD2 3.5Å; L183-L208 HydrophobicContact CD2-CD2 4.12Å; L183-L208 HydrophobicContact CG-CD2 4.03Å; L205-L208 HydrophobicContact CD2-CD1 3.58Å; L205-L208 VanDerWaalsContact O-CB 3.3Å; L205-L208 WeakPolarHBondContact O-CB 3.12Å; L205-L208 PolarHBondContact O-N 2.92Å; N206-L208 PolarHBondContact O-N 2.98Å; L208-G210 PolarHBondContact O-N 3.44Å; L208-I211 PolarHBondContact O-N 3.32Å; L208-M212 HydrophobicContact CB-CE 3.52Å; L208-M212 HydrophobicContact CD1-CE 3.7Å; L208-M212 HydrophobicContact CD2-CE 4.41Å; L208-M212 HydrophobicContact CG-CE 4.07Å; L208-M212 PolarHBondContact O-N 3.19Å
209R87.7Confident87.7Confident146 Ų14671.5 Ų71.555%0.55136%0.362SS*.Hα-helixtrans-56.1-38.9-177.6-173.2177-69.4171.72.7112.6N206 P207 K213 F216N206-R209 WeakPolarHBondContact O-CB 3.49Å; N206-R209 PolarHBondContact O-N 3.47Å; N206-R209 PolarHBondContact OD1-NH2 2.72Å; P207-R209 VanDerWaalsContact C-N 3.3Å; P207-R209 PolarHBondContact O-N 2.95Å; R209-K213 PolarHBondContact O-N 2.97Å; R209-F216 HydrophobicContact CB-CD2 4.09Å; R209-F216 HydrophobicContact CB-CE2 4.08Å
210G86.5Confident87.2Confident57 Ų5775.1 Ų75.159%0.58837%0.374SS*.Hα-helixtrans-68.7-33178.600000113.8L208L208-G210 PolarHBondContact O-N 3.44Å
211I88.3Confident86.8Confident79 Ų7973 Ų7341%0.40536%0.361SS..Hα-helixtrans-86.2-46.8-177-42.5-177.8000110.6L183 I189 L208L183-I211 HydrophobicContact CD2-CD1 3.6Å; I189-I211 HydrophobicContact CD1-CB 4.04Å; I189-I211 HydrophobicContact CD1-CG2 3.14Å; L208-I211 PolarHBondContact O-N 3.32Å
212M85.5Confident86.6Confident4 Ų474.6 Ų74.62%0.0238%0.379CS..Hα-helixtrans-84.7-7.2-174.7-70.4-158.9-76.600114.9L153 F155 I189 L208 K214 K215 F216L153-M212 HydrophobicContact CD2-SD 4.36Å; F155-M212 HydrophobicContact CE2-CE 3.93Å; F155-M212 HydrophobicContact CZ-CE 3.85Å; I189-M212 HydrophobicContact CD1-CG 4.15Å; I189-M212 HydrophobicContact CG1-CG 4.44Å; I189-M212 HydrophobicContact CG2-CG 3.96Å; L208-M212 HydrophobicContact CB-CE 3.52Å; L208-M212 HydrophobicContact CD1-CE 3.7Å; L208-M212 HydrophobicContact CD2-CE 4.41Å; L208-M212 HydrophobicContact CG-CE 4.07Å; L208-M212 PolarHBondContact O-N 3.19Å; M212-K214 PolarHBondContact O-N 2.87Å; M212-K215 WeakPolarHBondContact O-CA 3.3Å; M212-K215 WeakPolarHBondContact O-CB 3.41Å; M212-K215 PolarHBondContact O-N 3.07Å; M212-F216 HydrophobicContact CB-CB 4.27Å; M212-F216 PolarHBondContact O-N 3.37Å
213K85.7Confident86.8Confident167 Ų16773.5 Ų73.573%0.72637%0.367SS*.G310 helixtrans33-103.9172.8-61.8-176.3-178.4176.40114.3R209 F216R209-K213 PolarHBondContact O-N 2.97Å; K213-F216 WeakPolarHBondContact O-CB 3.23Å; K213-F216 PolarHBondContact O-N 3.44Å
214K83.8Confident86.9Confident177 Ų17771 Ų7177%0.7735%0.35SS*.G310 helixtrans-72.3-24.7-177.7-63.2-173.2179.1-174.30114.1M212 F216M212-K214 PolarHBondContact O-N 2.87Å; K214-F216 VanDerWaalsContact C-N 3.34Å
215K86.7Confident87.1Confident54 Ų5469.2 Ų69.224%0.23535%0.346CS..G310 helixtrans-87.9-5-178.8-58174.5172.7-159.50112.4I189 D190 V192 S195 M212I189-K215 HydrophobicContact CG2-CD 4.04Å; I189-K215 WeakPolarHBondContact O-CD 3.31Å; I189-K215 PolarHBondContact O-NZ 3.42Å; D190-K215 VanDerWaalsContact C-NZ 3.26Å; D190-K215 PolarHBondContact O-NZ 3.18Å; V192-K215 WeakPolarHBondContact O-CD 3.3Å; V192-K215 WeakPolarHBondContact O-CE 3.12Å; V192-K215 PolarHBondContact O-NZ 3.26Å; S195-K215 PolarHBondContact OG-O 3.35Å; M212-K215 WeakPolarHBondContact O-CA 3.3Å; M212-K215 WeakPolarHBondContact O-CB 3.41Å; M212-K215 PolarHBondContact O-N 3.07Å
216F89.2Confident87.2Confident20 Ų2074.2 Ų74.29%0.08838%0.377CS..SBendtrans-64.2138.3178.8-176.3-92.4000110.9L205 R209 M212 K213 K214 S218L205-F216 HydrophobicContact CB-CE2 4.08Å; L205-F216 HydrophobicContact CB-CZ 4.26Å; L205-F216 WeakPolarHBondContact O-CE2 3.46Å; R209-F216 HydrophobicContact CB-CD2 4.09Å; R209-F216 HydrophobicContact CB-CE2 4.08Å; M212-F216 HydrophobicContact CB-CB 4.27Å; M212-F216 PolarHBondContact O-N 3.37Å; K213-F216 WeakPolarHBondContact O-CB 3.23Å; K213-F216 PolarHBondContact O-N 3.44Å; K214-F216 VanDerWaalsContact C-N 3.34Å; F216-S218 PolarHBondContact O-N 2.94Å; F216-S218 PolarHBondContact O-OG 2.9Å
217P88.5Confident87.3Confident2 Ų274.5 Ų74.51%0.01338%0.378CS..  trans-67.2110.6-178.925.9-27000108.9S195 C197 L205 A223 I224S195-P217 WeakPolarHBondContact OG-CD 3.41Å; C197-P217 HydrophobicContact CB-CB 3.97Å; C197-P217 HydrophobicContact CB-CG 3.96Å; L205-P217 HydrophobicContact CD1-CG 3.58Å; P217-A223 HydrophobicContact CB-CB 3.94Å; P217-I224 HydrophobicContact CB-CG1 4.37Å
218S86.5Confident87.5Confident43 Ų4370.9 Ų70.930%0.30136%0.355SS..  trans-102.2133-175.8-67.40000110.8F216 K220 M221 G222 A223F216-S218 PolarHBondContact O-N 2.94Å; F216-S218 PolarHBondContact O-OG 2.9Å; S218-K220 PolarHBondContact O-N 2.75Å; S218-M221 PolarHBondContact O-N 3.11Å; S218-G222 PolarHBondContact O-N 3.17Å; S218-A223 PolarHBondContact O-N 3.44Å
219R84.5Confident87.6Confident219 Ų21971.7 Ų71.783%0.82636%0.361SS*.G310 helixtrans-58.1-35.4174.2-168.5175.3-178.2-179.1-0112.1M221 G222 I224R219-M221 VanDerWaalsContact C-N 3.27Å; R219-M221 PolarHBondContact O-N 2.61Å; R219-G222 PolarHBondContact O-N 2.84Å; R219-I224 HydrophobicContact CB-CD1 4.27Å
220K81.2Confident87.8Confident182 Ų18267.1 Ų67.179%0.79135%0.354SS*.G310 helixtrans-62.5-31176.6-65.6-170.8177.9-1700113.6S218 G222S218-K220 PolarHBondContact O-N 2.75Å; K220-G222 VanDerWaalsContact C-N 3.28Å
221M82Confident88.1Confident38 Ų3865.7 Ų65.719%0.18733%0.333CS..G310 helixtrans-84.1-3.9174.9-71.7173.849.700112.4Y194 S218 R219 A223 F235Y194-M221 HydrophobicContact CD1-CE 4.07Å; Y194-M221 HydrophobicContact CE1-CE 4.22Å; S218-M221 PolarHBondContact O-N 3.11Å; R219-M221 VanDerWaalsContact C-N 3.27Å; R219-M221 PolarHBondContact O-N 2.61Å; M221-A223 VanDerWaalsContact C-N 3.26Å; M221-A223 PolarHBondContact O-N 2.95Å; M221-F235 HydrophobicContact CE-CE1 3.86Å; M221-F235 HydrophobicContact CE-CZ 4.31Å
222G84.3Confident88.3Confident35 Ų3561.9 Ų61.936%0.36131%0.314SS..THydrogen-bonded Turntrans71.516.6-172.200000114S218 R219 K220 I224 L231S218-G222 PolarHBondContact O-N 3.17Å; R219-G222 PolarHBondContact O-N 2.84Å; K220-G222 VanDerWaalsContact C-N 3.28Å; G222-I224 PolarHBondContact O-N 3.12Å; G222-L231 WeakPolarHBondContact O-CD2 3.46Å
223A89.2Confident88.5Confident0 Ų067.9 Ų67.90%034%0.34CS..  trans-76.6-1.7-177.500000114.6V196 C197 P217 S218 M221 F235V196-A223 WeakPolarHBondContact CA-O 3.5Å; C197-A223 PolarHBondContact N-O 2.83Å; P217-A223 HydrophobicContact CB-CB 3.94Å; S218-A223 PolarHBondContact O-N 3.44Å; M221-A223 VanDerWaalsContact C-N 3.26Å; M221-A223 PolarHBondContact O-N 2.95Å; A223-F235 HydrophobicContact CB-CE2 4Å; A223-F235 HydrophobicContact CB-CZ 3.65Å
224I91.6Very high88.7Confident51 Ų5162.4 Ų62.426%0.26232%0.317SS..EExtended strand (participates in β ladder)trans-120.5122.7-179.3-55173.8000107.9C197 L199 P217 R219 G222C197-I224 HydrophobicContact CB-CG1 4.24Å; C197-I224 WeakPolarHBondContact O-CA 3.07Å; L199-I224 HydrophobicContact CD1-CG2 4.23Å; P217-I224 HydrophobicContact CB-CG1 4.37Å; R219-I224 HydrophobicContact CB-CD1 4.27Å; G222-I224 PolarHBondContact O-N 3.12Å
225G90.9Very high89.1Confident19 Ų1954 Ų5420%0.19628%0.28CS..EExtended strand (participates in β ladder)trans-166.6-178.1178.200000112.8C197 H198 L199C197-G225 PolarHBondContact O-N 2.91Å; H198-G225 WeakPolarHBondContact CA-O 3.48Å; H198-G225 PolarHBondContact CD2-O 3.37Å; L199-G225 PolarHBondContact N-O 2.74Å; L199-G225 VanDerWaalsContact N-O 3.08Å
226T91.4Very high89.2Confident105 Ų10554.6 Ų54.664%0.64429%0.285SS*.SBendtrans-85.1-42-178.248.20000112.1H198 L199 I228H198-T226 PolarHBondContact CD2-O 3.42Å; H198-T226 PolarHBondContact NE2-O 2.96Å; L199-T226 HydrophobicContact CD2-CG2 4.41Å; T226-I228 PolarHBondContact O-N 2.8Å
227D91.7Very high89.2Confident87 Ų8755.5 Ų55.547%0.46529%0.294SS..  trans-90.598.8175.8-174.7-7.1000110.9A229 A230 L231D227-A229 VanDerWaalsContact C-N 3.33Å; D227-A229 PolarHBondContact O-N 3.2Å; D227-A229 PolarHBondContact OD1-N 3.33Å; D227-A230 HydrophobicContact CB-CB 4.14Å; D227-A230 PolarHBondContact OD1-N 3.35Å; D227-A230 VanDerWaalsContact OD1-N 3.11Å; D227-A230 VanDerWaalsContact OD2-CB 3.26Å; D227-A230 WeakPolarHBondContact OD2-CB 3.26Å; D227-L231 VanDerWaalsContact O-CG 3.22Å; D227-L231 WeakPolarHBondContact O-CG 3.37Å; D227-L231 PolarHBondContact O-N 2.86Å
228I92.2Very high89.2Confident4 Ų455.4 Ų55.42%0.02129%0.294CS..Hα-helixtrans-69.3-29.6179.1-159.9162.5000112.9A154 A156 A161 A165 V196 T226 L231 V232A154-I228 HydrophobicContact CB-CD1 3.99Å; A154-I228 HydrophobicContact CB-CG1 4.43Å; A156-I228 HydrophobicContact CB-CD1 3.79Å; A161-I228 HydrophobicContact CB-CG2 4.14Å; A161-I228 VanDerWaalsContact O-CG2 3.28Å; A161-I228 WeakPolarHBondContact O-CG2 3.38Å; A165-I228 HydrophobicContact CB-CD1 4.07Å; A165-I228 HydrophobicContact CB-CG1 4.04Å; A165-I228 HydrophobicContact CB-CG2 3.98Å; V196-I228 HydrophobicContact CG1-CG1 4.15Å; T226-I228 PolarHBondContact O-N 2.8Å; I228-L231 PolarHBondContact O-N 2.94Å; I228-V232 HydrophobicContact CG1-CG2 4.44Å; I228-V232 WeakPolarHBondContact O-CG2 3.29Å; I228-V232 PolarHBondContact O-N 3.01Å
229A92.5Very high89.2Confident17 Ų1753.9 Ų53.914%0.1428%0.282CS..Hα-helixtrans-73-43.1-177.400000111.1L164 A168 D227 L231 V232 K233L164-A229 HydrophobicContact CB-CB 4.37Å; A168-A229 HydrophobicContact CB-CB 4.18Å; D227-A229 VanDerWaalsContact C-N 3.33Å; D227-A229 PolarHBondContact O-N 3.2Å; D227-A229 PolarHBondContact OD1-N 3.33Å; A229-L231 VanDerWaalsContact C-N 3.32Å; A229-V232 PolarHBondContact O-N 3.41Å; A229-K233 WeakPolarHBondContact O-CG 3.28Å; A229-K233 PolarHBondContact O-N 3.47Å
230A91.7Very high89.3Confident49 Ų4945 Ų4541%0.40526%0.256SS..Hα-helixtrans-62.6-40.7173.300000111.7D227 K233 H234D227-A230 HydrophobicContact CB-CB 4.14Å; D227-A230 PolarHBondContact OD1-N 3.35Å; D227-A230 VanDerWaalsContact OD1-N 3.11Å; D227-A230 VanDerWaalsContact OD2-CB 3.26Å; D227-A230 WeakPolarHBondContact OD2-CB 3.26Å; A230-K233 PolarHBondContact O-N 3.07Å; A230-H234 WeakPolarHBondContact O-CB 3.15Å; A230-H234 PolarHBondContact O-N 3.38Å
231L91.7Very high89.6Confident27 Ų2736.5 Ų36.514%0.14122%0.218CC..Hα-helixtrans-62.1-48.7175.2-71175000111.8V196 G222 D227 I228 A229 K233 H234 F235V196-L231 HydrophobicContact CG1-CB 3.52Å; V196-L231 HydrophobicContact CG1-CD1 3.8Å; V196-L231 HydrophobicContact CG1-CG 4.31Å; G222-L231 WeakPolarHBondContact O-CD2 3.46Å; D227-L231 VanDerWaalsContact O-CG 3.22Å; D227-L231 WeakPolarHBondContact O-CG 3.37Å; D227-L231 PolarHBondContact O-N 2.86Å; I228-L231 PolarHBondContact O-N 2.94Å; A229-L231 VanDerWaalsContact C-N 3.32Å; L231-K233 VanDerWaalsContact C-N 3.32Å; L231-K233 PolarHBondContact O-N 2.83Å; L231-H234 WeakPolarHBondContact O-CA 3.08Å; L231-H234 WeakPolarHBondContact O-CB 3.3Å; L231-H234 PolarHBondContact O-N 3.34Å; L231-H234 VanDerWaalsContact O-N 3.09Å; L231-F235 VanDerWaalsContact O-CD2 3.28Å; L231-F235 WeakPolarHBondContact O-CD2 3.47Å; L231-F235 PolarHBondContact O-N 2.9Å
232V93Very high89.8Confident0 Ų038.8 Ų38.80%023%0.229CC..Hα-helixtrans-57.5-46.8177.8170.80000110.4A154 A165 A168 A170 I228 A229 H234 F235 I236A154-V232 HydrophobicContact CB-CG2 4.3Å; A165-V232 HydrophobicContact CB-CG2 4.33Å; A168-V232 HydrophobicContact CB-CB 3.93Å; A168-V232 HydrophobicContact CB-CG1 3.79Å; A170-V232 HydrophobicContact CB-CG1 4.19Å; A170-V232 HydrophobicContact CB-CG2 4.18Å; I228-V232 HydrophobicContact CG1-CG2 4.44Å; I228-V232 WeakPolarHBondContact O-CG2 3.29Å; I228-V232 PolarHBondContact O-N 3.01Å; A229-V232 PolarHBondContact O-N 3.41Å; V232-H234 VanDerWaalsContact C-N 3.31Å; V232-H234 PolarHBondContact O-N 2.75Å; V232-F235 PolarHBondContact O-N 3.06Å; V232-F235 VanDerWaalsContact O-N 3.11Å; V232-I236 HydrophobicContact CG1-CD1 3.8Å; V232-I236 HydrophobicContact CG1-CG1 4.4Å; V232-I236 VanDerWaalsContact O-CG1 3.3Å; V232-I236 WeakPolarHBondContact O-CG1 3.41Å; V232-I236 PolarHBondContact O-N 3.22Å
233K91.1Very high90Very high129 Ų12937.3 Ų37.356%0.56121%0.213SC*.Hα-helixtrans-58.7-41.4175.6-73.1176.1-178.6175.80112.4A168 A229 A230 L231 I236 S237A168-K233 HydrophobicContact CB-CG 4.42Å; A229-K233 WeakPolarHBondContact O-CG 3.28Å; A229-K233 PolarHBondContact O-N 3.47Å; A230-K233 PolarHBondContact O-N 3.07Å; L231-K233 VanDerWaalsContact C-N 3.32Å; L231-K233 PolarHBondContact O-N 2.83Å; K233-I236 PolarHBondContact O-N 3.03Å; K233-S237 PolarHBondContact O-N 2.89Å; K233-S237 PolarHBondContact O-OG 2.82Å
234H90Very high89.9Confident52 Ų5241.3 Ų41.324%0.24123%0.23CC..Hα-helixtrans-61.9-41.2175.117987.2000112.1L137 A139 A230 L231 V232 G238L137-H234 WeakPolarHBondContact CD2-O 3.22Å; A139-H234 WeakPolarHBondContact CB-CE1 3.2Å; A139-H234 WeakPolarHBondContact CB-ND1 3.28Å; A139-H234 PolarHBondContact N-CE1 3.35Å; A139-H234 VanDerWaalsContact N-CE1 3.27Å; A230-H234 WeakPolarHBondContact O-CB 3.15Å; A230-H234 PolarHBondContact O-N 3.38Å; L231-H234 WeakPolarHBondContact O-CA 3.08Å; L231-H234 WeakPolarHBondContact O-CB 3.3Å; L231-H234 PolarHBondContact O-N 3.34Å; L231-H234 VanDerWaalsContact O-N 3.09Å; V232-H234 VanDerWaalsContact C-N 3.31Å; V232-H234 PolarHBondContact O-N 2.75Å; H234-G238 WeakPolarHBondContact O-CA 3.44Å; H234-G238 PolarHBondContact O-N 2.69Å
235F90.3Very high89.5Confident0 Ų039.8 Ų39.80%022%0.222CC..Hα-helixtrans-71.4-31177.5-84.1-87.4000113.6L137 R150 I152 Y194 V196 M221 A223 L231 V232L137-F235 VanDerWaalsContact CD2-CA 3.49Å; L137-F235 HydrophobicContact CD2-CB 4.29Å; L137-F235 HydrophobicContact CD2-CD1 3.68Å; L137-F235 HydrophobicContact CD2-CE1 4.07Å; L137-F235 HydrophobicContact CD2-CG 4Å; R150-F235 PolarHBondContact NH1-O 3.43Å; I152-F235 HydrophobicContact CD1-CB 3.81Å; Y194-F235 AromaticContact CD1-CD1 3.8Å; Y194-F235 HydrophobicContact CD1-CD1 3.8Å; Y194-F235 AromaticContact CD1-CE1 3.87Å; Y194-F235 HydrophobicContact CD1-CE1 3.87Å; Y194-F235 AromaticContact CG-CD1 3.78Å; Y194-F235 HydrophobicContact CG-CD1 3.78Å; Y194-F235 HydrophobicContact CG-CE1 4.29Å; V196-F235 HydrophobicContact CG2-CB 4.37Å; V196-F235 HydrophobicContact CG2-CD2 3.52Å; V196-F235 HydrophobicContact CG2-CE2 4Å; V196-F235 HydrophobicContact CG2-CG 3.92Å; M221-F235 HydrophobicContact CE-CE1 3.86Å; M221-F235 HydrophobicContact CE-CZ 4.31Å; A223-F235 HydrophobicContact CB-CE2 4Å; A223-F235 HydrophobicContact CB-CZ 3.65Å; L231-F235 VanDerWaalsContact O-CD2 3.28Å; L231-F235 WeakPolarHBondContact O-CD2 3.47Å; L231-F235 PolarHBondContact O-N 2.9Å; V232-F235 PolarHBondContact O-N 3.06Å; V232-F235 VanDerWaalsContact O-N 3.11Å
236I89.8Confident89.1Confident67 Ų6739 Ų3934%0.34421%0.213SC..Hα-helixtrans-70.1-54.9173.1-65.5169.6000110.2H146 I152 A168 V232 K233H146-I236 PolarHBondContact CE1-O 3.16Å; I152-I236 HydrophobicContact CD1-CB 4.37Å; I152-I236 HydrophobicContact CD1-CD1 4.31Å; I152-I236 HydrophobicContact CD1-CG1 3.33Å; A168-I236 VanDerWaalsContact O-CD1 3.23Å; A168-I236 WeakPolarHBondContact O-CD1 3.28Å; V232-I236 HydrophobicContact CG1-CD1 3.8Å; V232-I236 HydrophobicContact CG1-CG1 4.4Å; V232-I236 VanDerWaalsContact O-CG1 3.3Å; V232-I236 WeakPolarHBondContact O-CG1 3.41Å; V232-I236 PolarHBondContact O-N 3.22Å; K233-I236 PolarHBondContact O-N 3.03Å
237S88.5Confident88.6Confident40 Ų4038.7 Ų38.728%0.2821%0.205SC..Hα-helixtrans-80.4-23.6-173.7670000113.8K233K233-S237 PolarHBondContact O-N 2.89Å; K233-S237 PolarHBondContact O-OG 2.82Å
238G88Confident88Confident0 Ų039.1 Ų39.10%021%0.206CC..  trans-66.9155.4-171.400000113.1I138 R150 H234I138-G238 CarbonylContact O-C 3.51Å; I138-G238 WeakPolarHBondContact O-CA 3.42Å; R150-G238 VanDerWaalsContact CZ-O 3.32Å; R150-G238 PolarHBondContact NH1-O 3.24Å; R150-G238 PolarHBondContact NH2-O 3.49Å; R150-G238 VanDerWaalsContact NH2-O 3.09Å; H234-G238 WeakPolarHBondContact O-CA 3.44Å; H234-G238 PolarHBondContact O-N 2.69Å
239I87.8Confident87.5Confident10 Ų1042 Ų425%0.05122%0.222CC..EExtended strand (participates in β ladder)trans-106124.9-175.4-54.4-168.1000108.2L137 I138 M140 F144 V258L137-I239 WeakPolarHBondContact CA-O 3.33Å; I138-I239 PolarHBondContact N-O 2.85Å; I138-I239 PolarHBondContact O-N 3.47Å; M140-I239 HydrophobicContact CB-CD1 4.48Å; M140-I239 HydrophobicContact CE-CB 4.07Å; M140-I239 HydrophobicContact CE-CD1 3.77Å; M140-I239 HydrophobicContact CE-CG1 4.24Å; M140-I239 HydrophobicContact CE-CG2 4.46Å; M140-I239 HydrophobicContact CG-CD1 3.35Å; M140-I239 HydrophobicContact CG-CG1 3.85Å; M140-I239 HydrophobicContact SD-CD1 4.41Å; F144-I239 HydrophobicContact CD1-CD1 4.41Å; F144-I239 HydrophobicContact CE1-CD1 3.28Å; F144-I239 HydrophobicContact CE2-CD1 4.38Å; F144-I239 HydrophobicContact CZ-CD1 3.26Å; F144-I239 HydrophobicContact CZ-CG1 4.47Å; I239-V258 WeakPolarHBondContact CD1-O 3.49Å; I239-V258 WeakPolarHBondContact CG2-O 3.5Å
240A86.1Confident86.7Confident34 Ų3444.1 Ų44.128%0.28123%0.234SC..EExtended strand (participates in β ladder)trans-73.5128.7173.200000108.4L137L137-A240 HydrophobicContact CD1-CB 4.21Å
241F87.8Confident86.2Confident2 Ų244.9 Ų44.91%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-123148166.178.2-75.7000109Y134 A135 S136 I138 Y276 R279 V280 L283Y134-F241 HydrophobicContact CD1-CE2 4.07Å; Y134-F241 HydrophobicContact CD1-CZ 4.01Å; Y134-F241 HydrophobicContact CE1-CE1 4.46Å; Y134-F241 HydrophobicContact CE1-CE2 4.21Å; Y134-F241 AromaticContact CE1-CZ 3.69Å; Y134-F241 HydrophobicContact CE1-CZ 3.69Å; A135-F241 WeakPolarHBondContact CA-O 3.11Å; S136-F241 VanDerWaalsContact CB-CE1 3.42Å; S136-F241 PolarHBondContact N-O 2.98Å; S136-F241 VanDerWaalsContact N-O 3.16Å; S136-F241 WeakPolarHBondContact O-CD1 3.06Å; S136-F241 PolarHBondContact O-N 3.36Å; I138-F241 HydrophobicContact CD1-CB 4.48Å; I138-F241 HydrophobicContact CD1-CD1 3.23Å; I138-F241 HydrophobicContact CD1-CE1 3.31Å; I138-F241 HydrophobicContact CD1-CG 3.86Å; I138-F241 HydrophobicContact CD1-CZ 4.02Å; I138-F241 HydrophobicContact CG1-CD1 3.36Å; I138-F241 HydrophobicContact CG1-CE1 3.3Å; I138-F241 HydrophobicContact CG1-CG 4.41Å; I138-F241 HydrophobicContact CG1-CZ 4.36Å; F241-Y276 HydrophobicContact CB-CE2 3.74Å; F241-Y276 HydrophobicContact CD2-CE2 4.33Å; F241-Y276 HydrophobicContact CG-CE2 4.08Å; F241-R279 HydrophobicContact CE1-CG 4.24Å; F241-R279 HydrophobicContact CZ-CG 4.16Å; F241-V280 HydrophobicContact CD2-CG2 4.22Å; F241-V280 HydrophobicContact CE2-CG2 4.1Å; F241-L283 HydrophobicContact CE2-CD1 3.61Å; F241-L283 HydrophobicContact CZ-CD1 3.81Å
242E87.1Confident85.9Confident86 Ų8645.9 Ų45.940%0.40224%0.236SC..EExtended strand (participates in β ladder)trans-128.6119.4179.8-62.8-175.5153.200108.6Y134 A135 K244Y134-E242 CarbonylContact O-C 3.54Å; Y134-E242 WeakPolarHBondContact O-CA 3.48Å; A135-E242 HydrophobicContact CB-CG 4.14Å; E242-K244 HydrophobicContact CB-CG 4.46Å; E242-K244 PolarHBondContact O-N 3.23Å; E242-K244 WeakPolarHBondContact OE2-CE 3.41Å; E242-K244 IonicContact OE2-NZ 3.7Å; E242-K244 PolarHBondContact OE2-NZ 2.84Å
243L87.3Confident85.6Confident5 Ų545.9 Ų45.93%0.02624%0.236CC..EExtended strand (participates in β ladder)trans-80108.1166.1-177.971.1000108.4L124 M126 Y134L124-L243 HydrophobicContact CD1-CD1 3.05Å; L124-L243 HydrophobicContact CG-CD1 4.46Å; M126-L243 HydrophobicContact CE-CD2 3.66Å; M126-L243 HydrophobicContact SD-CD1 3.96Å; M126-L243 HydrophobicContact SD-CD2 3.92Å; M126-L243 HydrophobicContact SD-CG 4.33Å; Y134-L243 PolarHBondContact N-O 3.13Å; Y134-L243 PolarHBondContact O-N 2.98Å
244K86.5Confident85.6Confident83 Ų8339.9 Ų39.936%0.36121%0.21SC..EExtended strand (participates in β ladder)trans-107.3117176.1-68.9174.3-178.4155.30108.7I60 L133 E242 G253 V254I60-K244 HydrophobicContact CD1-CB 3.85Å; I60-K244 HydrophobicContact CD1-CD 4.35Å; L133-K244 HydrophobicContact CD1-CG 4.12Å; E242-K244 HydrophobicContact CB-CG 4.46Å; E242-K244 PolarHBondContact O-N 3.23Å; E242-K244 WeakPolarHBondContact OE2-CE 3.41Å; E242-K244 IonicContact OE2-NZ 3.7Å; E242-K244 PolarHBondContact OE2-NZ 2.84Å; K244-G253 CarbonylContact O-C 3.57Å; K244-G253 WeakPolarHBondContact O-CA 3.48Å; K244-V254 PolarHBondContact N-O 3.23Å; K244-V254 PolarHBondContact O-N 2.93Å
245Q84.2Confident85.6Confident20 Ų2037.4 Ų37.49%0.09320%0.198CC..EExtended strand (participates in β ladder)trans-73.6147.4165.4-76.1173-20.300110.5M126 R130 W252M126-Q245 HydrophobicContact CG-CG 4.08Å; R130-Q245 PolarHBondContact O-NE2 3.28Å; R130-Q245 VanDerWaalsContact O-NE2 3.15Å; R130-Q245 PolarHBondContact O-OE1 3.18Å; Q245-W252 WeakPolarHBondContact CA-O 3.45Å
246D83Confident85.7Confident3 Ų342 Ų422%0.01622%0.219CC..  trans-72.1145.7177.1-17348.3000111.6S59 I60 L248 N249 W252S59-D246 WeakPolarHBondContact CA-OD1 3.44Å; S59-D246 WeakPolarHBondContact CB-OD1 2.83Å; S59-D246 WeakPolarHBondContact CB-OD2 3.42Å; I60-D246 PolarHBondContact N-OD1 2.78Å; D246-L248 PolarHBondContact OD2-N 3.29Å; D246-N249 WeakPolarHBondContact CB-O 3.44Å; D246-N249 PolarHBondContact OD2-N 3.29Å; D246-W252 HydrophobicContact CB-CB 4.26Å; D246-W252 PolarHBondContact N-O 3.3Å
247E80Confident85.8Confident98 Ų9839.1 Ų39.146%0.45821%0.206SC..SBendtrans-82-29-177-69.4-175.4173.700112.5R57R57-E247 WeakPolarHBondContact CD-OE2 3.31Å; R57-E247 IonicContact CZ-OE1 2.85Å; R57-E247 IonicContact CZ-OE2 3.82Å; R57-E247 IonicContact NE-OE1 3.56Å; R57-E247 IonicContact NE-OE2 2.67Å; R57-E247 PolarHBondContact NE-OE2 3.5Å; R57-E247 IonicContact NH1-OE1 2.7Å; R57-E247 PolarHBondContact NH1-OE1 3.38Å; R57-E247 IonicContact NH1-OE2 2.93Å; R57-E247 PolarHBondContact NH1-OE2 3.37Å; R57-E247 IonicContact NH2-OE1 2.59Å; R57-E247 PolarHBondContact NH2-OE1 3.23Å; R57-E247 IonicContact NH2-OE2 3.87Å
248L80.4Confident86Confident95 Ų9538.5 Ų38.550%0.49720%0.2SC..SBendtrans-86.2-46179.9-67.9173.8000110.7D246D246-L248 PolarHBondContact OD2-N 3.29Å
249N80Confident86.3Confident65 Ų6538.5 Ų38.535%0.34820%0.2SC..  trans-11896.8179.4-68.4-40.2000111.1D246 T251 W252D246-N249 WeakPolarHBondContact CB-O 3.44Å; D246-N249 PolarHBondContact OD2-N 3.29Å; N249-T251 PolarHBondContact O-N 2.88Å; N249-T251 VanDerWaalsContact O-N 3.1Å; N249-W252 HydrophobicContact CB-CD2 3.66Å; N249-W252 HydrophobicContact CB-CE3 3.46Å; N249-W252 VanDerWaalsContact CB-CE3 3.46Å; N249-W252 HydrophobicContact CB-CG 4.2Å; N249-W252 HydrophobicContact CB-CH2 4.41Å; N249-W252 HydrophobicContact CB-CZ3 3.92Å; N249-W252 WeakPolarHBondContact ND2-CH2 3.39Å; N249-W252 WeakPolarHBondContact ND2-CZ3 3.25Å; N249-W252 PolarHBondContact O-N 3.2Å
250P76.7Confident86.6Confident62 Ų6238 Ų3840%0.40320%0.198SC..THydrogen-bonded Turntrans-63.6-19.5-175.925.9-34.4000113.9W252P250-W252 PolarHBondContact O-N 2.92Å
251T80.9Confident86.9Confident64 Ų6438.7 Ų38.739%0.39319%0.194SC..THydrogen-bonded Turntrans-62.8-24.9172.5-49.10000112.3N125 M126 Q127 N249N125-T251 WeakPolarHBondContact OD1-CG2 3.15Å; N125-T251 PolarHBondContact OD1-O 2.91Å; M126-T251 PolarHBondContact N-O 2.9Å; Q127-T251 HydrophobicContact CG-CG2 4.24Å; Q127-T251 PolarHBondContact N-O 3.33Å; N249-T251 PolarHBondContact O-N 2.88Å; N249-T251 VanDerWaalsContact O-N 3.1Å
252W85.2Confident87.2Confident49 Ų4938.7 Ų38.719%0.18619%0.194CC..EExtended strand (participates in β ladder)trans-99.9136.4-175-58.7-23.6000112.3A61 E69 Q245 D246 N249 P250A61-W252 HydrophobicContact CB-CE3 3.66Å; A61-W252 HydrophobicContact CB-CZ3 4.2Å; E69-W252 WeakPolarHBondContact OE1-CH2 3.37Å; E69-W252 VanDerWaalsContact OE1-CZ2 3.3Å; E69-W252 WeakPolarHBondContact OE1-CZ2 3.4Å; Q245-W252 WeakPolarHBondContact CA-O 3.45Å; D246-W252 HydrophobicContact CB-CB 4.26Å; D246-W252 PolarHBondContact N-O 3.3Å; N249-W252 HydrophobicContact CB-CD2 3.66Å; N249-W252 HydrophobicContact CB-CE3 3.46Å; N249-W252 VanDerWaalsContact CB-CE3 3.46Å; N249-W252 HydrophobicContact CB-CG 4.2Å; N249-W252 HydrophobicContact CB-CH2 4.41Å; N249-W252 HydrophobicContact CB-CZ3 3.92Å; N249-W252 WeakPolarHBondContact ND2-CH2 3.39Å; N249-W252 WeakPolarHBondContact ND2-CZ3 3.25Å; N249-W252 PolarHBondContact O-N 3.2Å; P250-W252 PolarHBondContact O-N 2.92Å
253G87.4Confident87.4Confident0 Ų039 Ų390%020%0.199CC..EExtended strand (participates in β ladder)trans-120.2153.8169.800000111.6L124 K244L124-G253 PolarHBondContact N-O 3.2Å; L124-G253 PolarHBondContact O-N 3Å; K244-G253 CarbonylContact O-C 3.57Å; K244-G253 WeakPolarHBondContact O-CA 3.48Å
254V90.3Very high87.7Confident3 Ų339.9 Ų39.92%0.01820%0.203CC..EExtended strand (participates in β ladder)trans-131.2131.9170.1179.60000108.5I60 R121 L122 K244 E256I60-V254 HydrophobicContact CG2-CB 3.85Å; I60-V254 HydrophobicContact CG2-CG1 4.27Å; I60-V254 HydrophobicContact CG2-CG2 3.91Å; R121-V254 HydrophobicContact CG-CG1 3.81Å; L122-V254 WeakPolarHBondContact O-CA 3.03Å; K244-V254 PolarHBondContact N-O 3.23Å; K244-V254 PolarHBondContact O-N 2.93Å; V254-E256 HydrophobicContact CG1-CG 3.99Å
255S91.2Very high88.1Confident0 Ų038 Ų380%020%0.201CC..EExtended strand (participates in β ladder)trans-121.2116.7171.1-172.50000110R121 L122 Y276R121-S255 WeakPolarHBondContact CA-O 3.43Å; L122-S255 PolarHBondContact N-O 2.89Å; L122-S255 PolarHBondContact O-N 3.46Å; S255-Y276 WeakPolarHBondContact CB-OH 3.47Å; S255-Y276 PolarHBondContact O-OH 3.16Å; S255-Y276 PolarHBondContact OG-OH 3.07Å
256E91Very high88.6Confident95 Ų9538.9 Ų38.944%0.44421%0.207SC..EExtended strand (participates in β ladder)trans-113.2130.5178.4-70.3176.7-174.300110.3L120 R121 V254L120-E256 WeakPolarHBondContact O-CA 3.43Å; R121-E256 HydrophobicContact CB-CG 4.01Å; R121-E256 HydrophobicContact CG-CG 3.89Å; V254-E256 HydrophobicContact CG1-CG 3.99Å
257S92.8Very high89.2Confident8 Ų845.6 Ų45.66%0.05624%0.238CC..EExtended strand (participates in β ladder)trans-146.2164.3174.5770000111.5R119 L120 Y276R119-S257 CarbonylContact C-O 3.57Å; R119-S257 VanDerWaalsContact CA-O 3.28Å; R119-S257 WeakPolarHBondContact CA-O 3.29Å; L120-S257 PolarHBondContact N-O 3.46Å; L120-S257 PolarHBondContact O-N 3.42Å; S257-Y276 WeakPolarHBondContact OG-CD2 3.36Å; S257-Y276 VanDerWaalsContact OG-CE1 3.3Å; S257-Y276 WeakPolarHBondContact OG-CE1 3.43Å; S257-Y276 WeakPolarHBondContact OG-CE2 3.5Å; S257-Y276 PolarHBondContact OG-OH 3.18Å
258V93.1Very high90Very high27 Ų2745.7 Ų45.716%0.16424%0.235CC..EExtended strand (participates in β ladder)trans-94.4125.8170.7-1760000107.3F117 V118 R119 F144 I239F117-V258 HydrophobicContact CB-CG1 3.88Å; F117-V258 HydrophobicContact CD1-CG1 3.89Å; F117-V258 HydrophobicContact CG-CG1 4.23Å; V118-V258 CarbonylContact O-C 3.52Å; V118-V258 WeakPolarHBondContact O-CA 3.42Å; V118-V258 WeakPolarHBondContact O-CG1 3.12Å; R119-V258 HydrophobicContact CG-CG2 4.19Å; F144-V258 HydrophobicContact CE2-CG1 3.73Å; F144-V258 HydrophobicContact CZ-CB 4.37Å; F144-V258 HydrophobicContact CZ-CG1 3.79Å; I239-V258 WeakPolarHBondContact CD1-O 3.49Å; I239-V258 WeakPolarHBondContact CG2-O 3.5Å
259I92.9Very high90.6Very high0 Ų041.2 Ų41.20%021%0.212CC..EExtended strand (participates in β ladder)trans-100-18.6-177.160.6168000113.2V118 L120 F144 N272 L273 Y276 M297V118-I259 HydrophobicContact CB-CD1 4.5Å; V118-I259 HydrophobicContact CB-CG1 3.98Å; V118-I259 HydrophobicContact CG1-CD1 3.75Å; V118-I259 HydrophobicContact CG1-CG1 3.72Å; V118-I259 PolarHBondContact O-N 3.08Å; L120-I259 HydrophobicContact CB-CG2 3.74Å; F144-I259 WeakPolarHBondContact CE1-O 3.48Å; F144-I259 VanDerWaalsContact CZ-C 3.48Å; I259-N272 WeakPolarHBondContact O-CB 3.2Å; I259-N272 PolarHBondContact O-ND2 2.98Å; I259-L273 HydrophobicContact CD1-CB 4.46Å; I259-L273 HydrophobicContact CD1-CD1 3.85Å; I259-Y276 HydrophobicContact CG2-CD1 4.35Å; I259-M297 HydrophobicContact CD1-SD 4.41Å
260G93.9Very high91.4Very high0 Ų041.3 Ų41.30%021%0.21CC..EExtended strand (participates in β ladder)trans175.9-172.3-175.900000113V118 F144V118-G260 PolarHBondContact N-O 3.11Å; F144-G260 VanDerWaalsContact CZ-CA 3.42Å
261K93.9Very high92.2Very high48 Ų4839.7 Ų39.721%0.20920%0.202CC..EExtended strand (participates in β ladder)trans-108.4154167.4-69.5-176.7179.3-172.30109.8A116 F117 F144 A145 D263 M264A116-K261 WeakPolarHBondContact O-CA 3.48Å; F117-K261 HydrophobicContact CD1-CG 4Å; F117-K261 HydrophobicContact CE1-CG 3.98Å; F144-K261 HydrophobicContact CD2-CG 4.19Å; A145-K261 WeakPolarHBondContact O-CE 3.42Å; K261-D263 WeakPolarHBondContact CB-OD1 3.09Å; K261-D263 PolarHBondContact O-N 3.09Å; K261-M264 HydrophobicContact CB-CG 4.21Å; K261-M264 HydrophobicContact CB-SD 4.45Å; K261-M264 PolarHBondContact N-SD 3.22Å; K261-M264 VanDerWaalsContact N-SD 3.45Å; K261-M264 WeakPolarHBondContact O-CB 3.37Å; K261-M264 WeakPolarHBondContact O-CG 3.42Å; K261-M264 PolarHBondContact O-N 3.11Å
262L92.6Very high92.9Very high2 Ų236.6 Ų36.61%0.0118%0.183CC..THydrogen-bonded Turntrans-68.2-21-177.5-167.364.3000113.4V99 H102 R103 Q106 A116 V118 M264V99-L262 HydrophobicContact CG1-CD1 4.22Å; H102-L262 HydrophobicContact CB-CD1 3.9Å; H102-L262 HydrophobicContact CB-CD2 4.5Å; R103-L262 HydrophobicContact CG-CD1 3.82Å; R103-L262 HydrophobicContact CG-CD2 4.06Å; R103-L262 HydrophobicContact CG-CG 3.71Å; R103-L262 PolarHBondContact NE-O 2.98Å; R103-L262 VanDerWaalsContact NE-O 3.09Å; R103-L262 PolarHBondContact NH2-O 3.02Å; Q106-L262 HydrophobicContact CB-CD2 3.69Å; Q106-L262 HydrophobicContact CG-CD2 3.39Å; A116-L262 PolarHBondContact O-N 3.07Å; V118-L262 HydrophobicContact CG2-CB 4.29Å; V118-L262 HydrophobicContact CG2-CD1 4.19Å; L262-M264 VanDerWaalsContact C-N 3.31Å
263D92Very high93.3Very high92 Ų9234.3 Ų34.349%0.49217%0.174SC..THydrogen-bonded Turntrans-74.1-17.2175.4610.2000113.5K261K261-D263 WeakPolarHBondContact CB-OD1 3.09Å; K261-D263 PolarHBondContact O-N 3.09Å
264M93.4Very high93.6Very high24 Ų2439 Ų3912%0.11820%0.195CC..SBendtrans-68.7156179.3-63.9179.968.300111.9R103 F144 K261 L262 L269R103-M264 PolarHBondContact NH2-O 3.33Å; F144-M264 HydrophobicContact CB-CE 4.42Å; F144-M264 HydrophobicContact CB-SD 3.76Å; F144-M264 HydrophobicContact CD1-SD 4.06Å; F144-M264 HydrophobicContact CG-SD 4.04Å; K261-M264 HydrophobicContact CB-CG 4.21Å; K261-M264 HydrophobicContact CB-SD 4.45Å; K261-M264 PolarHBondContact N-SD 3.22Å; K261-M264 VanDerWaalsContact N-SD 3.45Å; K261-M264 WeakPolarHBondContact O-CB 3.37Å; K261-M264 WeakPolarHBondContact O-CG 3.42Å; K261-M264 PolarHBondContact O-N 3.11Å; L262-M264 VanDerWaalsContact C-N 3.31Å; M264-L269 HydrophobicContact CB-CD2 4.24Å; M264-L269 HydrophobicContact CB-CG 4.15Å; M264-L269 HydrophobicContact SD-CD2 4.31Å
265S95.5Very high93.7Very high44 Ų4440.4 Ų40.431%0.30820%0.204SC..  trans-62.2152.8172.871.70000110.9E267 Y268 L269S265-E267 VanDerWaalsContact C-N 3.29Å; S265-E267 PolarHBondContact O-N 2.86Å; S265-Y268 PolarHBondContact O-N 2.85Å; S265-Y268 WeakPolarHBondContact OG-CB 3.46Å; S265-Y268 VanDerWaalsContact OG-CD1 3.31Å; S265-Y268 WeakPolarHBondContact OG-CD1 3.49Å; S265-Y268 WeakPolarHBondContact OG-CD2 3.39Å; S265-Y268 PolarHBondContact OG-N 2.8Å; S265-L269 PolarHBondContact O-N 2.88Å
266V95.2Very high93.8Very high38 Ų3840.4 Ų40.423%0.2320%0.204CC..Hα-helixtrans-62.2-41179.6-179.20000110.5A96 V99 Y268 L269 E270A96-V266 HydrophobicContact CB-CG1 3.84Å; V99-V266 HydrophobicContact CG1-CG2 4.21Å; V266-Y268 VanDerWaalsContact C-N 3.32Å; V266-Y268 PolarHBondContact O-N 3.26Å; V266-L269 WeakPolarHBondContact O-CB 3.45Å; V266-L269 PolarHBondContact O-N 3.08Å; V266-L269 VanDerWaalsContact O-N 3.16Å; V266-E270 HydrophobicContact CG1-CG 4.37Å; V266-E270 WeakPolarHBondContact O-CG 3.46Å; V266-E270 PolarHBondContact O-N 2.92Å
267E95.5Very high93.8Very high143 Ų14335.9 Ų35.967%0.66818%0.182SC*.Hα-helixtrans-58.8-41177.5-62.3171.6-17500112.5S265 E270 A271S265-E267 VanDerWaalsContact C-N 3.29Å; S265-E267 PolarHBondContact O-N 2.86Å; E267-E270 PolarHBondContact O-N 2.83Å; E267-A271 WeakPolarHBondContact O-CB 3.49Å; E267-A271 PolarHBondContact O-N 3.13Å
268Y95.5Very high93.7Very high101 Ų10139.4 Ų39.440%0.39620%0.198SC..Hα-helixtrans-69.5-37.1178.4-63.5-9.1000111.6Y142 S265 V266 N272Y142-Y268 AromaticContact CD1-CD1 3.7Å; Y142-Y268 HydrophobicContact CD1-CD1 3.7Å; Y142-Y268 HydrophobicContact CD1-CD2 4.19Å; Y142-Y268 AromaticContact CD1-CE1 3.96Å; Y142-Y268 HydrophobicContact CD1-CE1 3.96Å; Y142-Y268 HydrophobicContact CD1-CE2 4.41Å; Y142-Y268 AromaticContact CD1-CG 3.83Å; Y142-Y268 HydrophobicContact CD1-CG 3.83Å; Y142-Y268 AromaticContact CD2-CD1 3.9Å; Y142-Y268 HydrophobicContact CD2-CD1 3.9Å; Y142-Y268 HydrophobicContact CD2-CG 4.01Å; Y142-Y268 AromaticContact CE1-CD1 3.52Å; Y142-Y268 HydrophobicContact CE1-CD1 3.52Å; Y142-Y268 AromaticContact CE1-CE1 3.5Å; Y142-Y268 HydrophobicContact CE1-CE1 3.5Å; Y142-Y268 HydrophobicContact CE1-CG 4.15Å; Y142-Y268 AromaticContact CE2-CD1 3.72Å; Y142-Y268 HydrophobicContact CE2-CD1 3.72Å; Y142-Y268 HydrophobicContact CE2-CE1 4.42Å; Y142-Y268 HydrophobicContact CE2-CG 4.31Å; Y142-Y268 AromaticContact CG-CD1 3.88Å; Y142-Y268 HydrophobicContact CG-CD1 3.88Å; Y142-Y268 HydrophobicContact CG-CD2 4.35Å; Y142-Y268 AromaticContact CG-CG 3.75Å; Y142-Y268 HydrophobicContact CG-CG 3.75Å; Y142-Y268 AromaticContact CZ-CD1 3.52Å; Y142-Y268 AromaticContact CZ-CE1 3.76Å; S265-Y268 PolarHBondContact O-N 2.85Å; S265-Y268 WeakPolarHBondContact OG-CB 3.46Å; S265-Y268 VanDerWaalsContact OG-CD1 3.31Å; S265-Y268 WeakPolarHBondContact OG-CD1 3.49Å; S265-Y268 WeakPolarHBondContact OG-CD2 3.39Å; S265-Y268 PolarHBondContact OG-N 2.8Å; V266-Y268 VanDerWaalsContact C-N 3.32Å; V266-Y268 PolarHBondContact O-N 3.26Å; Y268-N272 WeakPolarHBondContact O-CB 3.24Å; Y268-N272 VanDerWaalsContact O-CG 3.25Å; Y268-N272 PolarHBondContact O-N 3.36Å
269L94.6Very high93.5Very high1 Ų141.9 Ų41.91%0.00520%0.204CC..Hα-helixtrans-66.3-41.5174.4-69.1174.4000111.4V99 M264 S265 V266 N272 L273V99-L269 HydrophobicContact CG1-CD1 4.17Å; V99-L269 HydrophobicContact CG2-CD1 3.77Å; M264-L269 HydrophobicContact CB-CD2 4.24Å; M264-L269 HydrophobicContact CB-CG 4.15Å; M264-L269 HydrophobicContact SD-CD2 4.31Å; S265-L269 PolarHBondContact O-N 2.88Å; V266-L269 WeakPolarHBondContact O-CB 3.45Å; V266-L269 PolarHBondContact O-N 3.08Å; V266-L269 VanDerWaalsContact O-N 3.16Å; L269-N272 PolarHBondContact O-N 3.07Å; L269-L273 WeakPolarHBondContact O-CB 3.14Å; L269-L273 PolarHBondContact O-N 2.88Å
270E94.7Very high93.3Very high66 Ų6641.9 Ų41.931%0.30820%0.204SC..Hα-helixtrans-62.6-43.1176.2-75.8178.117600112.2V95 V266 E267 L273 K274V95-E270 HydrophobicContact CB-CG 3.66Å; V95-E270 HydrophobicContact CG1-CG 3.57Å; V95-E270 HydrophobicContact CG2-CG 4.11Å; V266-E270 HydrophobicContact CG1-CG 4.37Å; V266-E270 WeakPolarHBondContact O-CG 3.46Å; V266-E270 PolarHBondContact O-N 2.92Å; E267-E270 PolarHBondContact O-N 2.83Å; E270-L273 WeakPolarHBondContact O-CB 3.5Å; E270-L273 PolarHBondContact O-N 2.85Å; E270-K274 WeakPolarHBondContact O-CB 3.44Å; E270-K274 PolarHBondContact O-N 3.37Å
271A94.7Very high92.9Very high28 Ų2842.4 Ų42.423%0.23121%0.207CC..Hα-helixtrans-66.3-40.7176.700000112.9Y142 E267 K274 T275Y142-A271 HydrophobicContact CD2-CB 3.83Å; Y142-A271 HydrophobicContact CE2-CB 3.51Å; E267-A271 WeakPolarHBondContact O-CB 3.49Å; E267-A271 PolarHBondContact O-N 3.13Å; A271-K274 PolarHBondContact O-N 3.46Å; A271-T275 PolarHBondContact O-N 2.84Å; A271-T275 PolarHBondContact O-OG1 3Å
272N95Very high92.5Very high0 Ų043.4 Ų43.40%022%0.224CC..Hα-helixtrans-65.5-41.3174.6-73.6-2.8000111.3M140 P141 Y142 I259 Y268 L269 T275 Y276M140-N272 HydrophobicContact SD-CB 4.19Å; P141-N272 WeakPolarHBondContact CD-OD1 3.36Å; Y142-N272 PolarHBondContact N-OD1 3.47Å; Y142-N272 VanDerWaalsContact N-OD1 3.07Å; Y142-N272 PolarHBondContact O-ND2 3.24Å; I259-N272 WeakPolarHBondContact O-CB 3.2Å; I259-N272 PolarHBondContact O-ND2 2.98Å; Y268-N272 WeakPolarHBondContact O-CB 3.24Å; Y268-N272 VanDerWaalsContact O-CG 3.25Å; Y268-N272 PolarHBondContact O-N 3.36Å; L269-N272 PolarHBondContact O-N 3.07Å; N272-T275 PolarHBondContact O-N 3.41Å; N272-Y276 WeakPolarHBondContact O-CB 3.37Å; N272-Y276 PolarHBondContact O-N 3.4Å
273L93.8Very high92Very high1 Ų145 Ų451%0.00523%0.232CC..Hα-helixtrans-59.6-48.7175.4-175.679.1000111.2V95 L120 I259 L269 E270 T275 Y276 I277 I308 F313V95-L273 HydrophobicContact CG2-CD2 3.41Å; V95-L273 VanDerWaalsContact CG2-CD2 3.41Å; L120-L273 HydrophobicContact CB-CD1 4.46Å; L120-L273 HydrophobicContact CD1-CD1 3.54Å; L120-L273 HydrophobicContact CD2-CD1 3.3Å; L120-L273 HydrophobicContact CG-CD1 3.94Å; I259-L273 HydrophobicContact CD1-CB 4.46Å; I259-L273 HydrophobicContact CD1-CD1 3.85Å; L269-L273 WeakPolarHBondContact O-CB 3.14Å; L269-L273 PolarHBondContact O-N 2.88Å; E270-L273 WeakPolarHBondContact O-CB 3.5Å; E270-L273 PolarHBondContact O-N 2.85Å; L273-T275 PolarHBondContact O-N 3.05Å; L273-Y276 WeakPolarHBondContact O-CB 3.41Å; L273-Y276 PolarHBondContact O-N 2.88Å; L273-I277 HydrophobicContact CD1-CD1 4.37Å; L273-I277 HydrophobicContact CD2-CD1 4.31Å; L273-I277 HydrophobicContact CG-CD1 3.89Å; L273-I277 WeakPolarHBondContact O-CG1 3.41Å; L273-I277 PolarHBondContact O-N 3.1Å; L273-I308 HydrophobicContact CD2-CG2 4.16Å; L273-F313 HydrophobicContact CD2-CD2 4.28Å; L273-F313 HydrophobicContact CD2-CE1 4.21Å; L273-F313 HydrophobicContact CD2-CE2 3.8Å; L273-F313 HydrophobicContact CD2-CZ 3.77Å
274K93.5Very high91.3Very high97 Ų9742.1 Ų42.142%0.42221%0.214SC..Hα-helixtrans-55.5-51.1176.9-177.5172.3174.3171.50111.3E270 A271 Y276 I277 E278 F313E270-K274 WeakPolarHBondContact O-CB 3.44Å; E270-K274 PolarHBondContact O-N 3.37Å; A271-K274 PolarHBondContact O-N 3.46Å; K274-Y276 VanDerWaalsContact C-N 3.27Å; K274-Y276 PolarHBondContact O-N 2.98Å; K274-I277 PolarHBondContact O-N 3.03Å; K274-E278 WeakPolarHBondContact CE-OE1 3.34Å; K274-E278 HydrophobicContact CG-CG 4.33Å; K274-E278 WeakPolarHBondContact CG-OE1 3.5Å; K274-E278 IonicContact NZ-OE1 3.94Å; K274-E278 WeakPolarHBondContact O-CB 2.89Å; K274-E278 VanDerWaalsContact O-CG 3.31Å; K274-E278 WeakPolarHBondContact O-CG 3.41Å; K274-E278 PolarHBondContact O-N 3.32Å; K274-F313 HydrophobicContact CB-CD1 3.77Å; K274-F313 HydrophobicContact CB-CE1 4.2Å; K274-F313 HydrophobicContact CG-CD1 4.16Å
275T92.6Very high90.3Very high34 Ų3445.1 Ų45.121%0.20923%0.231CC..Hα-helixtrans-60.1-38.7179.5-52.60000112I138 P141 A271 N272 L273 R279I138-T275 HydrophobicContact CG2-CG2 4.15Å; P141-T275 VanDerWaalsContact CD-OG1 3.25Å; P141-T275 WeakPolarHBondContact CD-OG1 3.49Å; P141-T275 HydrophobicContact CG-CG2 4.48Å; P141-T275 WeakPolarHBondContact CG-OG1 3.44Å; A271-T275 PolarHBondContact O-N 2.84Å; A271-T275 PolarHBondContact O-OG1 3Å; N272-T275 PolarHBondContact O-N 3.41Å; L273-T275 PolarHBondContact O-N 3.05Å; T275-R279 VanDerWaalsContact O-CB 3.28Å; T275-R279 WeakPolarHBondContact O-CB 3.5Å; T275-R279 PolarHBondContact O-N 3.25Å
276Y92.9Very high89Confident0 Ų047.1 Ų47.10%024%0.243CC..Hα-helixtrans-66.1-47.5176.7-179.7-117.9000112.1L120 L122 I138 M140 F241 S255 S257 I259 N272 L273 K274 R279 V280L120-Y276 HydrophobicContact CB-CD1 4.38Å; L120-Y276 HydrophobicContact CB-CE1 4.19Å; L120-Y276 HydrophobicContact CD2-CD1 3.44Å; L120-Y276 VanDerWaalsContact CD2-CD1 3.44Å; L120-Y276 HydrophobicContact CD2-CE1 3.64Å; L120-Y276 HydrophobicContact CG-CD1 4.48Å; L120-Y276 HydrophobicContact CG-CE1 4.35Å; L122-Y276 HydrophobicContact CD1-CD1 4.04Å; L122-Y276 HydrophobicContact CD1-CE1 3.53Å; L122-Y276 HydrophobicContact CG-CE1 3.83Å; I138-Y276 HydrophobicContact CD1-CD2 3.56Å; I138-Y276 HydrophobicContact CD1-CE2 4.03Å; M140-Y276 HydrophobicContact CE-CD2 4.31Å; F241-Y276 HydrophobicContact CB-CE2 3.74Å; F241-Y276 HydrophobicContact CD2-CE2 4.33Å; F241-Y276 HydrophobicContact CG-CE2 4.08Å; S255-Y276 WeakPolarHBondContact CB-OH 3.47Å; S255-Y276 PolarHBondContact O-OH 3.16Å; S255-Y276 PolarHBondContact OG-OH 3.07Å; S257-Y276 WeakPolarHBondContact OG-CD2 3.36Å; S257-Y276 VanDerWaalsContact OG-CE1 3.3Å; S257-Y276 WeakPolarHBondContact OG-CE1 3.43Å; S257-Y276 WeakPolarHBondContact OG-CE2 3.5Å; S257-Y276 PolarHBondContact OG-OH 3.18Å; I259-Y276 HydrophobicContact CG2-CD1 4.35Å; N272-Y276 WeakPolarHBondContact O-CB 3.37Å; N272-Y276 PolarHBondContact O-N 3.4Å; L273-Y276 WeakPolarHBondContact O-CB 3.41Å; L273-Y276 PolarHBondContact O-N 2.88Å; K274-Y276 VanDerWaalsContact C-N 3.27Å; K274-Y276 PolarHBondContact O-N 2.98Å; Y276-R279 PolarHBondContact O-N 2.82Å; Y276-V280 HydrophobicContact CD2-CG2 4.29Å; Y276-V280 HydrophobicContact CE2-CG2 3.84Å; Y276-V280 WeakPolarHBondContact O-CG2 3.29Å; Y276-V280 PolarHBondContact O-N 3.12Å
277I92Very high87.5Confident0 Ų046.2 Ų46.20%024%0.237CC..Hα-helixtrans-62.2-48.8178.6-69.2171.1000110.3L120 L273 K274 R279 V280 F281 I292 L310 F313 L314L120-I277 HydrophobicContact CD2-CG1 4.46Å; L273-I277 HydrophobicContact CD1-CD1 4.37Å; L273-I277 HydrophobicContact CD2-CD1 4.31Å; L273-I277 HydrophobicContact CG-CD1 3.89Å; L273-I277 WeakPolarHBondContact O-CG1 3.41Å; L273-I277 PolarHBondContact O-N 3.1Å; K274-I277 PolarHBondContact O-N 3.03Å; I277-R279 VanDerWaalsContact C-N 3.28Å; I277-R279 PolarHBondContact O-N 3.45Å; I277-V280 PolarHBondContact O-N 3.09Å; I277-F281 VanDerWaalsContact O-CB 3.26Å; I277-F281 WeakPolarHBondContact O-CB 3.43Å; I277-F281 PolarHBondContact O-N 3.01Å; I277-I292 HydrophobicContact CG2-CD1 3.91Å; I277-L310 HydrophobicContact CD1-CD2 4.05Å; I277-F313 HydrophobicContact CB-CB 4.47Å; I277-F313 HydrophobicContact CD1-CB 3.71Å; I277-F313 HydrophobicContact CD1-CD2 4.19Å; I277-F313 HydrophobicContact CD1-CG 3.97Å; I277-F313 HydrophobicContact CG2-CB 4.18Å; I277-L314 HydrophobicContact CG2-CD2 4.22Å
278E90.2Very high86.1Confident81 Ų8141.9 Ų41.938%0.37922%0.217SC..Hα-helixtrans-56.8-42.5177.3-7417317200111.8K274 F281 A282K274-E278 WeakPolarHBondContact CE-OE1 3.34Å; K274-E278 HydrophobicContact CG-CG 4.33Å; K274-E278 WeakPolarHBondContact CG-OE1 3.5Å; K274-E278 IonicContact NZ-OE1 3.94Å; K274-E278 WeakPolarHBondContact O-CB 2.89Å; K274-E278 VanDerWaalsContact O-CG 3.31Å; K274-E278 WeakPolarHBondContact O-CG 3.41Å; K274-E278 PolarHBondContact O-N 3.32Å; E278-F281 PolarHBondContact O-N 2.9Å; E278-A282 WeakPolarHBondContact O-CB 3.49Å; E278-A282 PolarHBondContact O-N 2.88Å
279R88.8Confident84.7Confident79 Ų7939.1 Ų39.130%0.29821%0.212SC..Hα-helixtrans-68.7-38.3179.8-178.253.9174.5160.70.5112.7Y134 I138 F241 T275 Y276 I277Y134-R279 PolarHBondContact OH-NH2 3.27Å; I138-R279 HydrophobicContact CD1-CB 3.81Å; I138-R279 HydrophobicContact CD1-CG 3.5Å; I138-R279 HydrophobicContact CG1-CB 4.39Å; I138-R279 HydrophobicContact CG1-CG 3.73Å; F241-R279 HydrophobicContact CE1-CG 4.24Å; F241-R279 HydrophobicContact CZ-CG 4.16Å; T275-R279 VanDerWaalsContact O-CB 3.28Å; T275-R279 WeakPolarHBondContact O-CB 3.5Å; T275-R279 PolarHBondContact O-N 3.25Å; Y276-R279 PolarHBondContact O-N 2.82Å; I277-R279 VanDerWaalsContact C-N 3.28Å; I277-R279 PolarHBondContact O-N 3.45Å
280V88.9Confident83.6Confident0 Ų042.6 Ų42.60%023%0.233CC..Hα-helixtrans-69.7-42.5175.4171.70000110L122 L124 F241 Y276 I277 A282 L283 F291 I292L122-V280 HydrophobicContact CD1-CB 3.93Å; L122-V280 HydrophobicContact CD1-CG1 3.83Å; L122-V280 HydrophobicContact CD1-CG2 3.91Å; L124-V280 HydrophobicContact CD1-CG1 3.98Å; L124-V280 HydrophobicContact CD2-CG1 3.85Å; F241-V280 HydrophobicContact CD2-CG2 4.22Å; F241-V280 HydrophobicContact CE2-CG2 4.1Å; Y276-V280 HydrophobicContact CD2-CG2 4.29Å; Y276-V280 HydrophobicContact CE2-CG2 3.84Å; Y276-V280 WeakPolarHBondContact O-CG2 3.29Å; Y276-V280 PolarHBondContact O-N 3.12Å; I277-V280 PolarHBondContact O-N 3.09Å; V280-A282 VanDerWaalsContact C-N 3.29Å; V280-A282 PolarHBondContact O-N 3.28Å; V280-L283 WeakPolarHBondContact O-CB 3.07Å; V280-L283 PolarHBondContact O-N 3.19Å; V280-F291 HydrophobicContact CG1-CE1 3.86Å; V280-F291 WeakPolarHBondContact O-CE1 3.31Å; V280-I292 HydrophobicContact CG1-CD1 4.35Å
281F86.2Confident83.1Confident12 Ų1239.9 Ų39.95%0.05322%0.22CC..Hα-helixtrans-60.1-38176-169.5-97.8000112.3I277 E278 L283 R284 I292 L314 P315 I317I277-F281 VanDerWaalsContact O-CB 3.26Å; I277-F281 WeakPolarHBondContact O-CB 3.43Å; I277-F281 PolarHBondContact O-N 3.01Å; E278-F281 PolarHBondContact O-N 2.9Å; F281-L283 PolarHBondContact O-N 3.27Å; F281-L283 VanDerWaalsContact O-N 3.11Å; F281-R284 VanDerWaalsContact CE1-NE 3.33Å; F281-R284 VanDerWaalsContact O-CB 3.25Å; F281-R284 WeakPolarHBondContact O-CB 3.16Å; F281-R284 WeakPolarHBondContact O-CD 3.42Å; F281-R284 WeakPolarHBondContact O-CG 3.31Å; F281-R284 PolarHBondContact O-N 2.7Å; F281-I292 HydrophobicContact CB-CD1 4.18Å; F281-I292 HydrophobicContact CD2-CD1 4.27Å; F281-L314 HydrophobicContact CD2-CD2 3.88Å; F281-L314 HydrophobicContact CE2-CD2 4.09Å; F281-P315 HydrophobicContact CD1-CG 3.43Å; F281-P315 VanDerWaalsContact CD1-CG 3.43Å; F281-P315 HydrophobicContact CE1-CG 3.25Å; F281-P315 HydrophobicContact CG-CG 4.26Å; F281-P315 HydrophobicContact CZ-CG 3.97Å; F281-I317 HydrophobicContact CZ-CD1 4.15Å; F281-I317 HydrophobicContact CZ-CG1 4.08Å
282A84.2Confident82.8Confident68 Ų6839.2 Ų39.256%0.56221%0.213SC*.THydrogen-bonded Turntrans-66.5-8.2174.800000114.7E278 V280E278-A282 WeakPolarHBondContact O-CB 3.49Å; E278-A282 PolarHBondContact O-N 2.88Å; V280-A282 VanDerWaalsContact C-N 3.29Å; V280-A282 PolarHBondContact O-N 3.28Å
283L81.9Confident82.5Confident35 Ų3542.9 Ų42.918%0.18323%0.232CC..THydrogen-bonded Turntrans-89.6-5172-59.5176000113.1Y134 F241 V280 F281Y134-L283 HydrophobicContact CD1-CD1 3.39Å; Y134-L283 HydrophobicContact CD1-CD2 4.01Å; Y134-L283 HydrophobicContact CD1-CG 4.36Å; Y134-L283 HydrophobicContact CD2-CD2 4.41Å; Y134-L283 HydrophobicContact CE1-CD1 3.5Å; Y134-L283 VanDerWaalsContact CE1-CD1 3.5Å; Y134-L283 HydrophobicContact CE1-CD2 3.45Å; Y134-L283 VanDerWaalsContact CE1-CD2 3.45Å; Y134-L283 HydrophobicContact CE1-CG 4.12Å; Y134-L283 HydrophobicContact CE2-CD2 3.92Å; Y134-L283 HydrophobicContact CG-CD1 4.12Å; Y134-L283 HydrophobicContact CG-CD2 4.44Å; F241-L283 HydrophobicContact CE2-CD1 3.61Å; F241-L283 HydrophobicContact CZ-CD1 3.81Å; V280-L283 WeakPolarHBondContact O-CB 3.07Å; V280-L283 PolarHBondContact O-N 3.19Å; F281-L283 PolarHBondContact O-N 3.27Å; F281-L283 VanDerWaalsContact O-N 3.11Å
284R78.5Confident82.3Confident32 Ų3243.7 Ų43.712%0.12124%0.235CC..SBendtrans-59.7149.2172.579.7-169.7-179.6149.2-1.7109.8F281 P286 K288 F291 I317 E321F281-R284 VanDerWaalsContact CE1-NE 3.33Å; F281-R284 VanDerWaalsContact O-CB 3.25Å; F281-R284 WeakPolarHBondContact O-CB 3.16Å; F281-R284 WeakPolarHBondContact O-CD 3.42Å; F281-R284 WeakPolarHBondContact O-CG 3.31Å; F281-R284 PolarHBondContact O-N 2.7Å; R284-P286 WeakPolarHBondContact O-CD 3.3Å; R284-K288 WeakPolarHBondContact CD-O 3.45Å; R284-K288 PolarHBondContact NH1-O 3.32Å; R284-F291 HydrophobicContact CB-CB 3.97Å; R284-F291 HydrophobicContact CB-CD1 4.1Å; R284-F291 HydrophobicContact CB-CD2 3.89Å; R284-F291 HydrophobicContact CB-CE2 4.4Å; R284-F291 HydrophobicContact CB-CG 3.71Å; R284-I317 VanDerWaalsContact NH1-CD1 3.31Å; R284-E321 IonicContact CZ-OE2 2.75Å; R284-E321 IonicContact NH2-OE2 3.98Å; R284-E321 PolarHBondContact NH2-OE2 3.26Å
285D73.1Confident82.3Confident87 Ų8739.1 Ų39.147%0.46522%0.215SC..  trans-83.5115.8164.2-64-45.7000107.1K288D285-K288 PolarHBondContact O-N 3.21Å
286P67.1Low82.4Confident86 Ų8637.5 Ų37.556%0.55821%0.205SC*.THydrogen-bonded Turntrans-60.1145.2170.8-18.732.1000109.8R284R284-P286 WeakPolarHBondContact O-CD 3.3Å
287P64.5Low82.6Confident19 Ų1937.6 Ų37.612%0.12321%0.206CC..THydrogen-bonded Turncis-91.36.81232.4-34.4000116.7S289 E321 E324 E325P287-S289 PolarHBondContact O-N 3.19Å; P287-E321 HydrophobicContact CB-CB 4.09Å; P287-E321 VanDerWaalsContact CB-O 3.27Å; P287-E321 WeakPolarHBondContact CB-O 3.49Å; P287-E324 HydrophobicContact CB-CB 3.9Å; P287-E324 HydrophobicContact CG-CB 3.85Å; P287-E325 HydrophobicContact CB-CB 4.4Å; P287-E325 HydrophobicContact CG-CB 4.26Å
288K65.4Low82.7Confident53 Ų5338.6 Ų38.623%0.2321%0.212CC..  trans-56123.1-165.1-62.3177.3180-178.50115Q127 R284 D285 E325Q127-K288 PolarHBondContact O-NZ 3.33Å; R284-K288 WeakPolarHBondContact CD-O 3.45Å; R284-K288 PolarHBondContact NH1-O 3.32Å; D285-K288 PolarHBondContact O-N 3.21Å; K288-E325 VanDerWaalsContact CA-OE1 3.27Å; K288-E325 WeakPolarHBondContact CA-OE1 3.47Å
289S65.8Low82.9Confident42 Ų4234.7 Ų34.729%0.29419%0.194SC..SBendtrans-82.5-40.8176.363.60000112.4P287 F291 I317 E325P287-S289 PolarHBondContact O-N 3.19Å; S289-F291 PolarHBondContact O-N 3.44Å; S289-F291 VanDerWaalsContact O-N 3.12Å; S289-I317 VanDerWaalsContact CA-CD1 3.47Å; S289-E325 WeakPolarHBondContact CB-OE2 3.18Å; S289-E325 VanDerWaalsContact N-CD 3.27Å; S289-E325 PolarHBondContact N-OE1 3.08Å; S289-E325 PolarHBondContact N-OE2 3.39Å; S289-E325 PolarHBondContact OG-OE2 3.25Å
290T72.7Confident82.9Confident74 Ų7435.3 Ų35.345%0.45420%0.202SC..  trans-90.372.1-175.2620000112.3
291F83.2Confident82.8Confident9 Ų937.7 Ų37.74%0.03922%0.218CC..  trans-93.8-38.5176.4-172.7-113.4000113.6L124 N125 M126 V280 R284 S289L124-F291 VanDerWaalsContact CA-O 3.29Å; L124-F291 WeakPolarHBondContact CA-O 3.32Å; L124-F291 HydrophobicContact CD1-CE1 4.27Å; L124-F291 HydrophobicContact CD1-CZ 4.32Å; L124-F291 HydrophobicContact CD2-CD1 4.18Å; L124-F291 HydrophobicContact CD2-CE1 4.04Å; N125-F291 PolarHBondContact N-O 2.75Å; M126-F291 HydrophobicContact CE-CE2 4.27Å; M126-F291 HydrophobicContact SD-CE2 3.47Å; M126-F291 WeakPolarHBondContact SD-CE2 3.38Å; M126-F291 HydrophobicContact SD-CZ 3.67Å; V280-F291 HydrophobicContact CG1-CE1 3.86Å; V280-F291 WeakPolarHBondContact O-CE1 3.31Å; R284-F291 HydrophobicContact CB-CB 3.97Å; R284-F291 HydrophobicContact CB-CD1 4.1Å; R284-F291 HydrophobicContact CB-CD2 3.89Å; R284-F291 HydrophobicContact CB-CE2 4.4Å; R284-F291 HydrophobicContact CB-CG 3.71Å; S289-F291 PolarHBondContact O-N 3.44Å; S289-F291 VanDerWaalsContact O-N 3.12Å
292I88.6Confident82.7Confident14 Ų1438.7 Ų38.77%0.07223%0.231CC..EExtended strand (participates in β ladder)trans-111.9109.5-176.7-50.5179.9000109.1L122 L124 I277 V280 F281 L310 L314L122-I292 HydrophobicContact CD2-CG2 4.17Å; L124-I292 HydrophobicContact CD2-CB 4.09Å; L124-I292 HydrophobicContact CD2-CG1 3.65Å; L124-I292 HydrophobicContact CD2-CG2 4.13Å; I277-I292 HydrophobicContact CG2-CD1 3.91Å; V280-I292 HydrophobicContact CG1-CD1 4.35Å; F281-I292 HydrophobicContact CB-CD1 4.18Å; F281-I292 HydrophobicContact CD2-CD1 4.27Å; I292-L310 HydrophobicContact CB-CD1 4.48Å; I292-L310 HydrophobicContact CG2-CD1 3.78Å; I292-L310 HydrophobicContact CG2-CD2 4.15Å; I292-L314 HydrophobicContact CD1-CD2 4.18Å
293D88Confident82.7Confident77 Ų7738.9 Ų38.941%0.41223%0.233SC..EExtended strand (participates in β ladder)trans-84.1-42.3-177.5-68.8-2.3000111.5R67 D123R67-D293 IonicContact CZ-OD2 3.97Å; R67-D293 IonicContact NE-OD2 2.69Å; R67-D293 IonicContact NH2-OD2 3.92Å; R67-D293 PolarHBondContact NH2-OD2 3.05Å; D123-D293 PolarHBondContact O-N 3.02Å
294R90.8Very high83.2Confident19 Ų1942 Ų427%0.07225%0.247CC..EExtended strand (participates in β ladder)trans-151.2134.2-172.6-166.9176.263.91614.6112.1A66 R67 L122 D123 V296 V307A66-R294 PolarHBondContact O-NH1 3.42Å; A66-R294 PolarHBondContact O-NH2 3.43Å; R67-R294 VanDerWaalsContact CA-NH2 3.32Å; L122-R294 WeakPolarHBondContact CA-O 3.4Å; D123-R294 HydrophobicContact CB-CB 4.26Å; D123-R294 PolarHBondContact N-O 2.67Å; D123-R294 PolarHBondContact O-N 2.85Å; D123-R294 IonicContact OD2-CZ 3.2Å; D123-R294 IonicContact OD2-NE 2.9Å; D123-R294 PolarHBondContact OD2-NE 2.97Å; D123-R294 IonicContact OD2-NH2 2.94Å; D123-R294 PolarHBondContact OD2-NH2 3.36Å; R294-V296 HydrophobicContact CG-CG2 3.91Å; R294-V307 HydrophobicContact CG-CG1 3.82Å
295A93.8Very high83.9Confident0 Ų044 Ų440%026%0.255CS..EExtended strand (participates in β ladder)trans-105.7128.4166.600000110.3L120 L122 V307 I308 L310L120-A295 HydrophobicContact CD1-CB 4.36Å; L122-A295 HydrophobicContact CD2-CB 3.53Å; A295-V307 WeakPolarHBondContact O-CA 3.44Å; A295-I308 HydrophobicContact CB-CB 4.23Å; A295-I308 PolarHBondContact O-N 3.27Å; A295-L310 HydrophobicContact CB-CD2 3.48Å; A295-L310 VanDerWaalsContact CB-CD2 3.48Å; A295-L310 HydrophobicContact CB-CG 4.07Å
296V94.8Very high84.9Confident0 Ų041.1 Ų41.10%024%0.238CC..EExtended strand (participates in β ladder)trans-124123.9179.5-175.40000109.7P65 L120 R121 R294 Y305 Y306 V307P65-V296 HydrophobicContact CB-CG1 4.4Å; P65-V296 HydrophobicContact CG-CB 4.26Å; P65-V296 HydrophobicContact CG-CG1 3.63Å; L120-V296 WeakPolarHBondContact CA-O 3.41Å; R121-V296 HydrophobicContact CB-CB 4.49Å; R121-V296 PolarHBondContact N-O 3.31Å; R121-V296 PolarHBondContact O-N 3.28Å; R294-V296 HydrophobicContact CG-CG2 3.91Å; V296-Y305 HydrophobicContact CG1-CD2 3.48Å; V296-Y305 VanDerWaalsContact CG1-CD2 3.48Å; V296-Y305 HydrophobicContact CG1-CG 3.92Å; V296-Y306 WeakPolarHBondContact CA-O 3.25Å; V296-V307 HydrophobicContact CG2-CG2 4.43Å
297M95.7Very high86.2Confident2 Ų237.8 Ų37.81%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-93.4135.9174.2-167.6160.275.500110.1A98 V99 V118 R119 L120 I259 Y305 Y306 I308A98-M297 VanDerWaalsContact C-CE 3.4Å; A98-M297 HydrophobicContact CB-CE 3.28Å; V99-M297 HydrophobicContact CG2-CE 3.74Å; V99-M297 HydrophobicContact CG2-SD 4.38Å; V118-M297 HydrophobicContact CG1-CG 3.57Å; V118-M297 HydrophobicContact CG1-SD 3.44Å; V118-M297 WeakPolarHBondContact CG1-SD 3.35Å; R119-M297 WeakPolarHBondContact O-CA 3.23Å; L120-M297 HydrophobicContact CD1-CB 4.34Å; I259-M297 HydrophobicContact CD1-SD 4.41Å; M297-Y305 VanDerWaalsContact O-CA 3.29Å; M297-Y305 WeakPolarHBondContact O-CA 3.16Å; M297-Y306 PolarHBondContact N-O 3.01Å; M297-Y306 PolarHBondContact O-N 3.47Å; M297-I308 HydrophobicContact CB-CD1 4.02Å; M297-I308 HydrophobicContact CB-CG1 3.93Å; M297-I308 HydrophobicContact CE-CD1 4.25Å
298T94.9Very high87.6Confident21 Ų2137.1 Ų37.113%0.12921%0.211CC..EExtended strand (participates in β ladder)trans-142.2145.1179.8-54.20000109.8R119R119-T298 WeakPolarHBondContact CB-O 3.48Å; R119-T298 PolarHBondContact N-O 3.29Å; R119-T298 PolarHBondContact O-N 3.35Å
299V93.6Very high88.9Confident0 Ų037.2 Ų37.20%021%0.214CC..EExtended strand (participates in β ladder)trans-127.5133.1177.7178.90000109.1H102 Q106 A116 V118 P301H102-V299 HydrophobicContact CB-CG2 3.91Å; Q106-V299 HydrophobicContact CG-CG1 4.12Å; A116-V299 HydrophobicContact CB-CG1 3.39Å; V118-V299 HydrophobicContact CG1-CG2 4.46Å; V118-V299 HydrophobicContact CG2-CG2 4.17Å; V299-P301 CarbonylContact O-C 3.59Å
300I89.1Confident89.9Confident91 Ų9136.2 Ų36.247%0.46721%0.205SC..EExtended strand (participates in β ladder)trans-110.7132.1178.6-58.3178.1000108.7
301P87.8Confident90.5Very high50 Ų5041.3 Ų41.333%0.32522%0.221SC..SBendcis-75.8141.54.331.8-34.7000112.1Q106 L111 N113 V299Q106-P301 PolarHBondContact NE2-O 3.4Å; L111-P301 HydrophobicContact CB-CG 4.32Å; L111-P301 WeakPolarHBondContact CD1-O 3.35Å; N113-P301 HydrophobicContact CB-CG 4.48Å; N113-P301 WeakPolarHBondContact ND2-CD 3.49Å; V299-P301 CarbonylContact O-C 3.59Å
302G83.5Confident90.6Very high33 Ų3345.1 Ų45.134%0.3425%0.247SC..  trans156.3142.1-178.100000110.8
303A85.1Confident90.3Very high73 Ų7345.7 Ų45.760%0.60325%0.249SC*.SBendtrans-96.3-16.6173.600000112.2H64H64-A303 PolarHBondContact CE1-O 2.89Å
304E90.4Very high90Very high99 Ų9945.1 Ų45.146%0.46325%0.245SC..  trans-70.6141.1-178.3-59.7-57.3146.400112.1L105L105-E304 HydrophobicContact CD2-CB 3.95Å; L105-E304 HydrophobicContact CD2-CG 3.85Å
305Y93.9Very high89.1Confident74 Ų7447 Ų4729%0.2926%0.26SS..EExtended strand (participates in β ladder)trans-137.3148.1174.566.6-86.3000110.2H64 P65 V296 M297H64-Y305 AromaticContact CE1-CD1 3.48Å; H64-Y305 VanDerWaalsContact CE1-CD1 3.48Å; H64-Y305 WeakPolarHBondContact CE1-CD1 3.43Å; H64-Y305 AromaticContact CE1-CE1 3.8Å; H64-Y305 AromaticContact NE2-CD1 3.73Å; H64-Y305 AromaticContact NE2-CE1 3.55Å; P65-Y305 HydrophobicContact CB-CD1 3.67Å; P65-Y305 HydrophobicContact CB-CD2 3.62Å; P65-Y305 HydrophobicContact CB-CE1 3.71Å; P65-Y305 HydrophobicContact CB-CE2 3.65Å; P65-Y305 HydrophobicContact CB-CG 3.6Å; P65-Y305 HydrophobicContact CG-CD1 4.45Å; P65-Y305 HydrophobicContact CG-CD2 4.12Å; P65-Y305 HydrophobicContact CG-CG 4.03Å; V296-Y305 HydrophobicContact CG1-CD2 3.48Å; V296-Y305 VanDerWaalsContact CG1-CD2 3.48Å; V296-Y305 HydrophobicContact CG1-CG 3.92Å; M297-Y305 VanDerWaalsContact O-CA 3.29Å; M297-Y305 WeakPolarHBondContact O-CA 3.16Å
306Y94.7Very high88Confident28 Ų2856.1 Ų56.111%0.1130%0.303CS..EExtended strand (participates in β ladder)trans-125.1130.7-179.7-58-61.1000110.1Y93 A98 L101 H102 V296 M297Y93-Y306 HydrophobicContact CD2-CD1 4.08Å; Y93-Y306 HydrophobicContact CD2-CG 4.39Å; Y93-Y306 AromaticContact CE2-CD1 3.79Å; Y93-Y306 HydrophobicContact CE2-CD1 3.79Å; A98-Y306 HydrophobicContact CB-CD2 4.06Å; A98-Y306 HydrophobicContact CB-CG 4.17Å; L101-Y306 HydrophobicContact CB-CD2 4.38Å; L101-Y306 HydrophobicContact CB-CE1 4.35Å; L101-Y306 HydrophobicContact CB-CE2 3.56Å; L101-Y306 HydrophobicContact CD1-CD1 4.1Å; L101-Y306 HydrophobicContact CD1-CE1 3.71Å; L101-Y306 HydrophobicContact CD1-CE2 4.26Å; H102-Y306 AromaticContact CD2-CD2 3.75Å; H102-Y306 AromaticContact CD2-CE2 3.97Å; H102-Y306 AromaticContact CE1-CD2 3.5Å; H102-Y306 VanDerWaalsContact CE1-CD2 3.5Å; H102-Y306 WeakPolarHBondContact CE1-CD2 3.21Å; H102-Y306 AromaticContact CE1-CE2 3.43Å; H102-Y306 VanDerWaalsContact CE1-CE2 3.43Å; H102-Y306 WeakPolarHBondContact CE1-CE2 3.46Å; H102-Y306 AromaticContact CG-CE2 3.87Å; H102-Y306 AromaticContact ND1-CD2 3.99Å; H102-Y306 AromaticContact ND1-CE2 3.54Å; H102-Y306 AromaticContact NE2-CD2 3.36Å; H102-Y306 WeakPolarHBondContact NE2-CD2 3.34Å; H102-Y306 AromaticContact NE2-CE2 3.74Å; V296-Y306 WeakPolarHBondContact CA-O 3.25Å; M297-Y306 PolarHBondContact N-O 3.01Å; M297-Y306 PolarHBondContact O-N 3.47Å
307V94.3Very high86.7Confident16 Ų1657.5 Ų57.510%0.09731%0.31CS..EExtended strand (participates in β ladder)trans-77.1125.2174.4-177.80000108.5P90 V92 Y93 R294 A295 V296P90-V307 HydrophobicContact CB-CG2 4.03Å; V92-V307 HydrophobicContact CG2-CG1 4.49Å; Y93-V307 PolarHBondContact N-O 3.43Å; R294-V307 HydrophobicContact CG-CG1 3.82Å; A295-V307 WeakPolarHBondContact O-CA 3.44Å; V296-V307 HydrophobicContact CG2-CG2 4.43Å
308I94.4Very high85.2Confident4 Ų461 Ų612%0.02133%0.333CS..EExtended strand (participates in β ladder)trans-94.8139.9-177.7-57.2-59000110.2Y93 V95 A98 L273 A295 M297 L310 F313Y93-I308 WeakPolarHBondContact O-CA 3.14Å; V95-I308 HydrophobicContact CG2-CG2 3.79Å; A98-I308 HydrophobicContact CB-CD1 3.49Å; A98-I308 VanDerWaalsContact CB-CD1 3.49Å; L273-I308 HydrophobicContact CD2-CG2 4.16Å; A295-I308 HydrophobicContact CB-CB 4.23Å; A295-I308 PolarHBondContact O-N 3.27Å; M297-I308 HydrophobicContact CB-CD1 4.02Å; M297-I308 HydrophobicContact CB-CG1 3.93Å; M297-I308 HydrophobicContact CE-CD1 4.25Å; I308-L310 PolarHBondContact O-N 3.02Å; I308-F313 HydrophobicContact CG2-CE2 4.49Å
309N92.3Very high83.7Confident56 Ų5667.6 Ų67.630%0.29936%0.36SS..PPolyproline II helixtrans-64.7117.3172.5-167.3-10.7000111V92 Y93 K311 P312 F313V92-N309 HydrophobicContact CG1-CB 3.55Å; Y93-N309 PolarHBondContact O-N 2.67Å; N309-K311 WeakPolarHBondContact OD1-CB 3.39Å; N309-K311 WeakPolarHBondContact OD1-CG 3.35Å; N309-K311 PolarHBondContact OD1-N 3.39Å; N309-K311 VanDerWaalsContact OD1-N 3.07Å; N309-P312 WeakPolarHBondContact O-CD 3.4Å; N309-F313 WeakPolarHBondContact O-CD2 3.36Å
310L87.6Confident82.1Confident21 Ų2175 Ų7511%0.1139%0.394CS..  trans-80.9-25.1179.5-74173.5000113.8I277 I292 A295 I308 P312 F313 L314I277-L310 HydrophobicContact CD1-CD2 4.05Å; I292-L310 HydrophobicContact CB-CD1 4.48Å; I292-L310 HydrophobicContact CG2-CD1 3.78Å; I292-L310 HydrophobicContact CG2-CD2 4.15Å; A295-L310 HydrophobicContact CB-CD2 3.48Å; A295-L310 VanDerWaalsContact CB-CD2 3.48Å; A295-L310 HydrophobicContact CB-CG 4.07Å; I308-L310 PolarHBondContact O-N 3.02Å; L310-P312 VanDerWaalsContact C-N 3.33Å; L310-P312 VanDerWaalsContact O-N 3.16Å; L310-F313 PolarHBondContact O-N 2.92Å; L310-L314 HydrophobicContact CB-CD1 4.19Å; L310-L314 HydrophobicContact CB-CG 4.46Å; L310-L314 PolarHBondContact O-N 2.92Å
311K85.3Confident80.6Confident180 Ų18073 Ų7378%0.78338%0.383SS*.THydrogen-bonded Turntrans-51.7-40.6-172.2-64.2179.8177.6-1780114.4N309 F313N309-K311 WeakPolarHBondContact OD1-CB 3.39Å; N309-K311 WeakPolarHBondContact OD1-CG 3.35Å; N309-K311 PolarHBondContact OD1-N 3.39Å; N309-K311 VanDerWaalsContact OD1-N 3.07Å; K311-F313 VanDerWaalsContact C-N 3.28Å; K311-F313 PolarHBondContact O-N 3.49Å
312P84.1Confident79.2Confident90 Ų9074.9 Ų74.958%0.58439%0.387SS*.THydrogen-bonded Turntrans-73.1-14.9-179.5-18.733.7000115.1N309 L310N309-P312 WeakPolarHBondContact O-CD 3.4Å; L310-P312 VanDerWaalsContact C-N 3.33Å; L310-P312 VanDerWaalsContact O-N 3.16Å
313F82.6Confident78Confident26 Ų2680.2 Ų80.211%0.11440%0.404CS..THydrogen-bonded Turntrans-110.7-14.9-169.4-59.7-73.3000113.8V95 L273 K274 I277 I308 N309 L310 K311V95-F313 HydrophobicContact CG2-CE2 3.87Å; V95-F313 HydrophobicContact CG2-CZ 3.71Å; L273-F313 HydrophobicContact CD2-CD2 4.28Å; L273-F313 HydrophobicContact CD2-CE1 4.21Å; L273-F313 HydrophobicContact CD2-CE2 3.8Å; L273-F313 HydrophobicContact CD2-CZ 3.77Å; K274-F313 HydrophobicContact CB-CD1 3.77Å; K274-F313 HydrophobicContact CB-CE1 4.2Å; K274-F313 HydrophobicContact CG-CD1 4.16Å; I277-F313 HydrophobicContact CB-CB 4.47Å; I277-F313 HydrophobicContact CD1-CB 3.71Å; I277-F313 HydrophobicContact CD1-CD2 4.19Å; I277-F313 HydrophobicContact CD1-CG 3.97Å; I277-F313 HydrophobicContact CG2-CB 4.18Å; I308-F313 HydrophobicContact CG2-CE2 4.49Å; N309-F313 WeakPolarHBondContact O-CD2 3.36Å; L310-F313 PolarHBondContact O-N 2.92Å; K311-F313 VanDerWaalsContact C-N 3.28Å; K311-F313 PolarHBondContact O-N 3.49Å
314L80.8Confident76.8Confident64 Ų6482.5 Ų82.534%0.33540%0.402SS..SBendtrans-78.1133.9175.8-67172.5000109.4I277 F281 I292 L310I277-L314 HydrophobicContact CG2-CD2 4.22Å; F281-L314 HydrophobicContact CD2-CD2 3.88Å; F281-L314 HydrophobicContact CE2-CD2 4.09Å; I292-L314 HydrophobicContact CD1-CD2 4.18Å; L310-L314 HydrophobicContact CB-CD1 4.19Å; L310-L314 HydrophobicContact CB-CG 4.46Å; L310-L314 PolarHBondContact O-N 2.92Å
315P72.7Confident75Confident59 Ų5979 Ų7938%0.38339%0.385SS..PPolyproline II helixtrans-67.5147172.230.5-34.8000110.2F281 I317F281-P315 HydrophobicContact CD1-CG 3.43Å; F281-P315 VanDerWaalsContact CD1-CG 3.43Å; F281-P315 HydrophobicContact CE1-CG 3.25Å; F281-P315 HydrophobicContact CG-CG 4.26Å; F281-P315 HydrophobicContact CZ-CG 3.97Å; P315-I317 PolarHBondContact O-N 3.09Å
316E69.7Low73.3Confident191 Ų19182.3 Ų82.389%0.89340%0.403SS*.PPolyproline II helixtrans-65.5121.1170.5-65.9178.7-178.300108.7
317I68.7Low71.3Confident29 Ų2982.7 Ų82.715%0.14942%0.415CS..PPolyproline II helixtrans-76.1130.2176.8-59.3169.6000107F281 R284 S289 P315 K319 E321 E322F281-I317 HydrophobicContact CZ-CD1 4.15Å; F281-I317 HydrophobicContact CZ-CG1 4.08Å; R284-I317 VanDerWaalsContact NH1-CD1 3.31Å; S289-I317 VanDerWaalsContact CA-CD1 3.47Å; P315-I317 PolarHBondContact O-N 3.09Å; I317-K319 PolarHBondContact O-N 3.2Å; I317-E321 HydrophobicContact CG2-CB 3.75Å; I317-E321 WeakPolarHBondContact CG2-OE2 3.16Å; I317-E322 HydrophobicContact CB-CG 4.44Å; I317-E322 HydrophobicContact CG2-CG 4.07Å
318P64.7Low69.5Low76 Ų7687 Ų8749%0.49444%0.438SS..PPolyproline II helixtrans-59131.7171.6-21.132.8000109.8E320 E321P318-E320 PolarHBondContact O-N 3.03Å; P318-E321 PolarHBondContact O-N 2.91Å
319K61.9Low67.5Low159 Ų15992 Ų9269%0.69146%0.462SS*.Hα-helixtrans-50.3-27.5-178.2-68.3178.7176.9179.70114.6I317 E321 E322 E323I317-K319 PolarHBondContact O-N 3.2Å; K319-E321 VanDerWaalsContact C-N 3.31Å; K319-E321 PolarHBondContact O-N 3.46Å; K319-E322 WeakPolarHBondContact O-CB 3.47Å; K319-E322 PolarHBondContact O-N 3.47Å; K319-E322 VanDerWaalsContact O-N 3.17Å; K319-E323 PolarHBondContact O-N 3.1Å; K319-E323 VanDerWaalsContact O-N 3.11Å
320E60.5Low65.3Low156 Ų15694.2 Ų94.273%0.72948%0.477SS*.Hα-helixtrans-60.8-36.7176.1-63.1177.8-177.400112.4P318 E324P318-E320 PolarHBondContact O-N 3.03Å; E320-E324 PolarHBondContact O-N 3.4Å
321E58.7Low63.4Low50 Ų5097 Ų9723%0.23450%0.498CS..Hα-helixtrans-74-33174.6-63.9-176.2171.900111.2R284 P287 I317 P318 K319 E323 E324 E325R284-E321 IonicContact CZ-OE2 2.75Å; R284-E321 IonicContact NH2-OE2 3.98Å; R284-E321 PolarHBondContact NH2-OE2 3.26Å; P287-E321 HydrophobicContact CB-CB 4.09Å; P287-E321 VanDerWaalsContact CB-O 3.27Å; P287-E321 WeakPolarHBondContact CB-O 3.49Å; I317-E321 HydrophobicContact CG2-CB 3.75Å; I317-E321 WeakPolarHBondContact CG2-OE2 3.16Å; P318-E321 PolarHBondContact O-N 2.91Å; K319-E321 VanDerWaalsContact C-N 3.31Å; K319-E321 PolarHBondContact O-N 3.46Å; E321-E323 PolarHBondContact O-N 3.48Å; E321-E324 PolarHBondContact O-N 3.39Å; E321-E325 PolarHBondContact O-N 3.34Å; E321-E325 VanDerWaalsContact O-N 3.13Å
322E57.9Low61.7Low88 Ų8892.2 Ų92.241%0.41149%0.492SS..Hα-helixtrans-64.5-39.7177.4-61.1-178.4160.400111.5I317 K319 E325 E326I317-E322 HydrophobicContact CB-CG 4.44Å; I317-E322 HydrophobicContact CG2-CG 4.07Å; K319-E322 WeakPolarHBondContact O-CB 3.47Å; K319-E322 PolarHBondContact O-N 3.47Å; K319-E322 VanDerWaalsContact O-N 3.17Å; E322-E325 PolarHBondContact O-N 2.81Å; E322-E326 PolarHBondContact O-N 3.27Å
323E58.4Low59.5Low146 Ų14696.1 Ų96.168%0.68250%0.503SS*.Hα-helixtrans-66.4-34.5176.1-69.6-179.1-168.700112.7K319 E321 G327K319-E323 PolarHBondContact O-N 3.1Å; K319-E323 VanDerWaalsContact O-N 3.11Å; E321-E323 PolarHBondContact O-N 3.48Å; E323-G327 PolarHBondContact O-N 3.39Å; E323-G327 VanDerWaalsContact O-N 3.11Å
324E58.6Low57.3Low121 Ų121103.7 Ų103.757%0.56555%0.552SS**Hα-helixtrans-68.4-37.3175.2-71.2-176.8176.200112.1P287 E320 E321 G327 D328P287-E324 HydrophobicContact CB-CB 3.9Å; P287-E324 HydrophobicContact CG-CB 3.85Å; E320-E324 PolarHBondContact O-N 3.4Å; E321-E324 PolarHBondContact O-N 3.39Å; E324-G327 PolarHBondContact O-N 2.83Å; E324-D328 PolarHBondContact O-N 2.91Å; E324-D328 VanDerWaalsContact O-N 3.11Å
325E54.4Low56.1Low25 Ų25105.7 Ų105.712%0.11756%0.562CS.*Hα-helixtrans-66.7-43.3176.5-168.5173.7-152.700111.9P287 K288 S289 E321 E322 G327 D328 E329P287-E325 HydrophobicContact CB-CB 4.4Å; P287-E325 HydrophobicContact CG-CB 4.26Å; K288-E325 VanDerWaalsContact CA-OE1 3.27Å; K288-E325 WeakPolarHBondContact CA-OE1 3.47Å; S289-E325 WeakPolarHBondContact CB-OE2 3.18Å; S289-E325 VanDerWaalsContact N-CD 3.27Å; S289-E325 PolarHBondContact N-OE1 3.08Å; S289-E325 PolarHBondContact N-OE2 3.39Å; S289-E325 PolarHBondContact OG-OE2 3.25Å; E321-E325 PolarHBondContact O-N 3.34Å; E321-E325 VanDerWaalsContact O-N 3.13Å; E322-E325 PolarHBondContact O-N 2.81Å; E325-G327 VanDerWaalsContact C-N 3.33Å; E325-G327 PolarHBondContact O-N 3.28Å; E325-D328 PolarHBondContact O-N 3.17Å; E325-E329 PolarHBondContact O-N 2.96Å
326E57.8Low55.3Low144 Ų144108.2 Ų108.267%0.67357%0.572SS**Hα-helixtrans-65.5-34.4175.6-70.2-171.2174.800112.7E322 T330E322-E326 PolarHBondContact O-N 3.27Å; E326-T330 PolarHBondContact O-N 3.36Å; E326-T330 PolarHBondContact O-OG1 3.27Å
327G52.6Low54.5Low35 Ų35103.6 Ų103.636%0.36155%0.554SS.*Hα-helixtrans-66.4-39.5175.400000113.5E323 E324 E325 T330 S331E323-G327 PolarHBondContact O-N 3.39Å; E323-G327 VanDerWaalsContact O-N 3.11Å; E324-G327 PolarHBondContact O-N 2.83Å; E325-G327 VanDerWaalsContact C-N 3.33Å; E325-G327 PolarHBondContact O-N 3.28Å; G327-T330 PolarHBondContact O-OG1 3.5Å; G327-S331 PolarHBondContact O-N 3.23Å
328D55.2Low53.6Low106 Ų106107.9 Ų107.957%0.56758%0.578SS**Hα-helixtrans-70.1-40.6177.5-88-10.2000111.8E324 E325 T330 S331 A332E324-D328 PolarHBondContact O-N 2.91Å; E324-D328 VanDerWaalsContact O-N 3.11Å; E325-D328 PolarHBondContact O-N 3.17Å; D328-T330 PolarHBondContact O-N 3.1Å; D328-S331 PolarHBondContact O-N 3.2Å; D328-S331 PolarHBondContact O-OG 3.03Å; D328-A332 PolarHBondContact O-N 3.25Å
329E52.1Low52.9Low111 Ų111109.9 Ų109.952%0.51958%0.583SS.*Hα-helixtrans-64.6-36.8177.9-71.4-161.5163.400113.3E325E325-E329 PolarHBondContact O-N 2.96Å
330T47.1Very low52.3Low102 Ų102106.7 Ų106.763%0.62658%0.576SS**Hα-helixtrans-71.7-30.5178.146.60000112.9E326 G327 D328E326-T330 PolarHBondContact O-N 3.36Å; E326-T330 PolarHBondContact O-OG1 3.27Å; G327-T330 PolarHBondContact O-OG1 3.5Å; D328-T330 PolarHBondContact O-N 3.1Å
331S47.5Very low51.8Low78 Ų78103.1 Ų103.155%0.54557%0.565SS.*Hα-helixtrans-76.3-25177.475.40000114G327 D328G327-S331 PolarHBondContact O-N 3.23Å; D328-S331 PolarHBondContact O-N 3.2Å; D328-S331 PolarHBondContact O-OG 3.03Å
332A48.8Very low51.2Low81 Ų81107.2 Ų107.267%0.66959%0.59SS**THydrogen-bonded Turntrans-82.8-10.8-17900000114.5D328D328-A332 PolarHBondContact O-N 3.25Å
333Q38.9Very low50.7Low171 Ų171108.8 Ų108.880%0.79961%0.605SS**THydrogen-bonded Turntrans-979.6-178.9-68.8-173.618.600114.7
334T36.7Very low50Low186 Ų186105.5 Ų105.5100%1.14160%0.598SS**  trans-110.80172.9-48.40000110.8

Retrieved 334 of 334 residues in 627.7 ms (Link to these results)