A0A077ZF90_TRITR Loading...

Trypsin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZF90, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 328 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
1M57.6Low69.7Low225 Ų225120 Ų120100%1.10864%0.635SS**  0-1.90-79.3174.1159.600114.9
2S63.7Low70.5Confident82 Ų82125.8 Ų125.857%0.57364%0.642SS**  trans-82.2-29.5-178169.40000114.8L4 H5S2-L4 PolarHBondContact O-N 3.04Å; S2-H5 PolarHBondContact O-N 3.41Å
3I63.8Low71.2Confident126 Ų126125 Ų12565%0.64664%0.639SS**Hα-helixtrans-69.3-36.2-174.9-63.3165000112.2H5 H6 W7I3-H5 VanDerWaalsContact C-N 3.31Å; I3-H5 PolarHBondContact O-N 3.25Å; I3-H6 PolarHBondContact O-N 3.03Å; I3-W7 PolarHBondContact O-N 3.23Å
4L61.2Low71.7Confident146 Ų146123.7 Ų123.776%0.76463%0.633SS**Hα-helixtrans-63.9-33.7-178.7-121.991.3000113.1S2 A8S2-L4 PolarHBondContact O-N 3.04Å; L4-A8 PolarHBondContact O-N 3.01Å
5H65.5Low71.9Confident144 Ų144120.3 Ų120.367%0.66762%0.624SS**Hα-helixtrans-70.1-32.3179.1-78.6-70.2000112.7S2 I3 A9S2-H5 PolarHBondContact O-N 3.41Å; I3-H5 VanDerWaalsContact C-N 3.31Å; I3-H5 PolarHBondContact O-N 3.25Å; H5-A9 WeakPolarHBondContact O-CB 3.32Å; H5-A9 PolarHBondContact O-N 3.03Å
6H67.2Low71.6Confident127 Ų127117.5 Ų117.559%0.58861%0.61SS**Hα-helixtrans-70.2-38.1176.6-71.5-49.1000112.5I3 A9 C10I3-H6 PolarHBondContact O-N 3.03Å; H6-A9 PolarHBondContact O-N 3.44Å; H6-C10 PolarHBondContact O-N 2.97Å
7W71.7Confident71.2Confident176 Ų176120.6 Ų120.667%0.66761%0.613SS**Hα-helixtrans-65.5-41.6174.8-72.6102000112.2I3 C10 L11I3-W7 PolarHBondContact O-N 3.23Å; W7-C10 PolarHBondContact O-N 3.11Å; W7-L11 WeakPolarHBondContact O-CB 3.44Å; W7-L11 WeakPolarHBondContact O-CG 3.44Å; W7-L11 PolarHBondContact O-N 3.15Å
8A76.6Confident70.4Confident56 Ų56118.1 Ų118.146%0.46361%0.608SS.*Hα-helixtrans-62.8-43.6176.300000111.8L4 L11 W12L4-A8 PolarHBondContact O-N 3.01Å; A8-L11 PolarHBondContact O-N 2.72Å; A8-W12 WeakPolarHBondContact O-CB 3.44Å; A8-W12 PolarHBondContact O-N 3.44Å
9A78.4Confident69.7Low51 Ų51119.4 Ų119.442%0.42162%0.616SS.*Hα-helixtrans-64.7-42.2176.900000112.6H5 H6 W12 L13H5-A9 WeakPolarHBondContact O-CB 3.32Å; H5-A9 PolarHBondContact O-N 3.03Å; H6-A9 PolarHBondContact O-N 3.44Å; A9-W12 PolarHBondContact O-N 2.77Å; A9-L13 WeakPolarHBondContact O-CB 3.37Å; A9-L13 WeakPolarHBondContact O-CG 3.49Å; A9-L13 PolarHBondContact O-N 2.78Å
10C80Confident68.7Low71 Ų71121.1 Ų121.148%0.4862%0.621SS.*Hα-helixtrans-63.5-42.8174.5-90.70000112.4H6 W7 W12 L13 L14H6-C10 PolarHBondContact O-N 2.97Å; W7-C10 PolarHBondContact O-N 3.11Å; C10-W12 VanDerWaalsContact C-N 3.31Å; C10-W12 PolarHBondContact O-N 2.78Å; C10-L13 PolarHBondContact O-N 3.04Å; C10-L14 WeakPolarHBondContact O-CB 3.11Å; C10-L14 WeakPolarHBondContact O-CG 3.36Å; C10-L14 PolarHBondContact O-N 3.19Å
11L80.7Confident67.5Low116 Ų116121.6 Ų121.661%0.60762%0.62SS**Hα-helixtrans-63.3-39.1175.2-80.3164.4000111.4W7 A8 L14 C15W7-L11 WeakPolarHBondContact O-CB 3.44Å; W7-L11 WeakPolarHBondContact O-CG 3.44Å; W7-L11 PolarHBondContact O-N 3.15Å; A8-L11 PolarHBondContact O-N 2.72Å; L11-L14 PolarHBondContact O-N 3.3Å; L11-C15 VanDerWaalsContact O-CB 3.3Å; L11-C15 WeakPolarHBondContact O-CB 3.36Å; L11-C15 PolarHBondContact O-N 2.68Å
12W79.7Confident67Low189 Ų189118.8 Ų118.872%0.71661%0.605SS**Hα-helixtrans-67.4-40.2176-131.463.7000112.3A8 A9 C10 C15 L16A8-W12 WeakPolarHBondContact O-CB 3.44Å; A8-W12 PolarHBondContact O-N 3.44Å; A9-W12 PolarHBondContact O-N 2.77Å; C10-W12 VanDerWaalsContact C-N 3.31Å; C10-W12 PolarHBondContact O-N 2.78Å; W12-C15 PolarHBondContact O-N 3.11Å; W12-L16 HydrophobicContact CD2-CD1 4.4Å; W12-L16 HydrophobicContact CE3-CD1 3.6Å; W12-L16 HydrophobicContact CE3-CG 4.48Å; W12-L16 HydrophobicContact CZ3-CD1 3.93Å; W12-L16 VanDerWaalsContact O-CB 3.31Å; W12-L16 WeakPolarHBondContact O-CB 3.5Å; W12-L16 WeakPolarHBondContact O-CG 3.36Å; W12-L16 PolarHBondContact O-N 2.88Å
13L80.1Confident66.3Low116 Ų116118.8 Ų118.861%0.60760%0.601SS**Hα-helixtrans-66.5-40.5174-75.6166.2000111.9A9 C10 L16 Y17A9-L13 WeakPolarHBondContact O-CB 3.37Å; A9-L13 WeakPolarHBondContact O-CG 3.49Å; A9-L13 PolarHBondContact O-N 2.78Å; C10-L13 PolarHBondContact O-N 3.04Å; L13-L16 PolarHBondContact O-N 3.07Å; L13-Y17 VanDerWaalsContact O-CB 3.23Å; L13-Y17 WeakPolarHBondContact O-CB 3.46Å; L13-Y17 PolarHBondContact O-N 3.44Å
14L77.4Confident65.8Low107 Ų107117.8 Ų117.856%0.5660%0.601SS**Hα-helixtrans-65.6-38.6172.4-81160.9000111.8C10 L11 S18C10-L14 WeakPolarHBondContact O-CB 3.11Å; C10-L14 WeakPolarHBondContact O-CG 3.36Å; C10-L14 PolarHBondContact O-N 3.19Å; L11-L14 PolarHBondContact O-N 3.3Å; L14-S18 VanDerWaalsContact O-CB 3.29Å; L14-S18 WeakPolarHBondContact O-CB 3.4Å; L14-S18 PolarHBondContact O-N 2.92Å; L14-S18 PolarHBondContact O-OG 2.03Å
15C75Confident65.9Low73 Ų73112.3 Ų112.349%0.49358%0.575SS.*Hα-helixtrans-66.4-44.8174-1260000110.9L11 W12 S18 L19L11-C15 VanDerWaalsContact O-CB 3.3Å; L11-C15 WeakPolarHBondContact O-CB 3.36Å; L11-C15 PolarHBondContact O-N 2.68Å; W12-C15 PolarHBondContact O-N 3.11Å; C15-S18 CarbonylContact O-C 3.6Å; C15-S18 PolarHBondContact O-N 3.29Å; C15-L19 WeakPolarHBondContact O-CB 3.22Å; C15-L19 VanDerWaalsContact O-CD1 3.25Å; C15-L19 WeakPolarHBondContact O-CD1 3.28Å; C15-L19 PolarHBondContact O-N 3.19Å
16L67.5Low66.8Low75 Ų75108.9 Ų108.939%0.39356%0.559SS.*Hα-helixtrans-62.9-41.7175-82.3162.6000111.6W12 L13 S18 L19 Q20W12-L16 HydrophobicContact CD2-CD1 4.4Å; W12-L16 HydrophobicContact CE3-CD1 3.6Å; W12-L16 HydrophobicContact CE3-CG 4.48Å; W12-L16 HydrophobicContact CZ3-CD1 3.93Å; W12-L16 VanDerWaalsContact O-CB 3.31Å; W12-L16 WeakPolarHBondContact O-CB 3.5Å; W12-L16 WeakPolarHBondContact O-CG 3.36Å; W12-L16 PolarHBondContact O-N 2.88Å; L13-L16 PolarHBondContact O-N 3.07Å; L16-S18 VanDerWaalsContact C-N 3.33Å; L16-L19 CarbonylContact O-C 3.48Å; L16-L19 PolarHBondContact O-N 3.09Å; L16-Q20 WeakPolarHBondContact O-CB 3.23Å; L16-Q20 PolarHBondContact O-N 2.98Å
17Y63.8Low68.1Low170 Ų170103 Ų10367%0.66753%0.533SS*.Hα-helixtrans-65.5-37.2174.7-166-97.7000111.7L13 Q20 Q21L13-Y17 VanDerWaalsContact O-CB 3.23Å; L13-Y17 WeakPolarHBondContact O-CB 3.46Å; L13-Y17 PolarHBondContact O-N 3.44Å; Y17-Q20 CarbonylContact O-C 3.51Å; Y17-Q20 PolarHBondContact O-N 3.15Å; Y17-Q21 PolarHBondContact O-N 3.32Å
18S58.3Low69.1Low76 Ų7694.7 Ų94.753%0.53150%0.501SS..Hα-helixtrans-72.2-33.7175.2-55.40000112.4L14 C15 L16L14-S18 VanDerWaalsContact O-CB 3.29Å; L14-S18 WeakPolarHBondContact O-CB 3.4Å; L14-S18 PolarHBondContact O-N 2.92Å; L14-S18 PolarHBondContact O-OG 2.03Å; C15-S18 CarbonylContact O-C 3.6Å; C15-S18 PolarHBondContact O-N 3.29Å; L16-S18 VanDerWaalsContact C-N 3.33Å
19L56.7Low69.9Low142 Ų14294.8 Ų94.874%0.74349%0.492SS*.Hα-helixtrans-75.5-30172.1-95.5107.9000112.4C15 L16 Q21C15-L19 WeakPolarHBondContact O-CB 3.22Å; C15-L19 VanDerWaalsContact O-CD1 3.25Å; C15-L19 WeakPolarHBondContact O-CD1 3.28Å; C15-L19 PolarHBondContact O-N 3.19Å; L16-L19 CarbonylContact O-C 3.48Å; L16-L19 PolarHBondContact O-N 3.09Å; L19-Q21 VanDerWaalsContact C-N 3.32Å
20Q50.3Low70.6Confident153 Ų15392.4 Ų92.472%0.71547%0.472SS*.SBendtrans-84.6-1.8173.6-90.8-168.8-79.500113.7L16 Y17 E22L16-Q20 WeakPolarHBondContact O-CB 3.23Å; L16-Q20 PolarHBondContact O-N 2.98Å; Y17-Q20 CarbonylContact O-C 3.51Å; Y17-Q20 PolarHBondContact O-N 3.15Å; Q20-E22 PolarHBondContact O-N 3.25Å
21Q43.4Very low71.2Confident132 Ų13291.9 Ų91.962%0.61747%0.473SS*.  trans-69.868.2159.5-147.5174.86.300107.1Y17 L19 V23Y17-Q21 PolarHBondContact O-N 3.32Å; L19-Q21 VanDerWaalsContact C-N 3.32Å; Q21-V23 PolarHBondContact O-N 3.23Å
22E46.1Very low71.8Confident167 Ų16792.3 Ų92.378%0.7847%0.47SS*.  trans-37.3112158.5-108.9-172.8167.300104.3Q20 T24Q20-E22 PolarHBondContact O-N 3.25Å; E22-T24 VanDerWaalsContact C-N 3.28Å; E22-T24 VanDerWaalsContact O-CA 3.26Å; E22-T24 WeakPolarHBondContact O-CA 3.42Å; E22-T24 WeakPolarHBondContact O-CG2 3Å; E22-T24 PolarHBondContact O-N 3.4Å
23V50Low72.4Confident82 Ų8284.6 Ų84.650%0.49744%0.441SS..  trans-37.298.7178.9174.20000107.1Q21 S25 R77Q21-V23 PolarHBondContact O-N 3.23Å; V23-S25 VanDerWaalsContact C-N 3.3Å; V23-S25 PolarHBondContact O-N 3.35Å; V23-R77 HydrophobicContact CG1-CB 4.5Å; V23-R77 HydrophobicContact CG1-CG 4.23Å
24T53Low73Confident104 Ų10481.9 Ų81.964%0.63844%0.44SS*.  trans-67.899.7-164.644.60000105.8E22 Q26E22-T24 VanDerWaalsContact C-N 3.28Å; E22-T24 VanDerWaalsContact O-CA 3.26Å; E22-T24 WeakPolarHBondContact O-CA 3.42Å; E22-T24 WeakPolarHBondContact O-CG2 3Å; E22-T24 PolarHBondContact O-N 3.4Å; T24-Q26 PolarHBondContact O-N 2.97Å; T24-Q26 VanDerWaalsContact O-N 3.09Å
25S63.2Low73.7Confident32 Ų3277.6 Ų77.622%0.22442%0.422CS..  trans-60.3118.2-17254.60000108V23 C27 H78 K240V23-S25 VanDerWaalsContact C-N 3.3Å; V23-S25 PolarHBondContact O-N 3.35Å; S25-C27 PolarHBondContact O-N 2.97Å; S25-H78 WeakPolarHBondContact CB-NE2 3.17Å; S25-K240 PolarHBondContact O-NZ 3.16Å; S25-K240 PolarHBondContact OG-NZ 2.66Å; S25-K240 VanDerWaalsContact OG-NZ 3.16Å
26Q84.5Confident74.4Confident71 Ų7177.9 Ų77.933%0.33242%0.416SS..  trans-79.3-0.5-176.9-69.6177.9-9.200112.8T24 K32 Y33T24-Q26 PolarHBondContact O-N 2.97Å; T24-Q26 VanDerWaalsContact O-N 3.09Å; Q26-K32 HydrophobicContact CB-CB 4.29Å; Q26-K32 HydrophobicContact CG-CB 4.4Å; Q26-Y33 HydrophobicContact CB-CE2 4.11Å; Q26-Y33 WeakPolarHBondContact CB-OH 3.4Å; Q26-Y33 VanDerWaalsContact O-CE2 3.31Å; Q26-Y33 WeakPolarHBondContact O-CE2 3.25Å
27C93Very high75.5Confident5 Ų577.4 Ų77.43%0.03442%0.419CS..THydrogen-bonded Turntrans-61.8157.7175.762.10000111.8S25 E29 P70 P163 C165 K240S25-C27 PolarHBondContact O-N 2.97Å; C27-E29 PolarHBondContact O-N 3.18Å; C27-E29 VanDerWaalsContact O-N 3.08Å; C27-P70 HydrophobicContact CB-CB 4.48Å; C27-P70 HydrophobicContact CB-CG 4.2Å; C27-P163 HydrophobicContact CB-CB 4.49Å; C27-P163 HydrophobicContact CB-CG 4.09Å; C27-C165 HydrophobicContact CB-CB 4.07Å; C27-C165 WeakPolarHBondContact CB-SG 3.35Å; C27-C165 PolarHBondContact O-SG 3.42Å; C27-C165 WeakPolarHBondContact SG-CA 3.23Å; C27-C165 WeakPolarHBondContact SG-CB 3.22Å; C27-C165 CovalentContact SG-SG 2.04Å; C27-C165 PolarHBondContact SG-SG 2.78Å; C27-K240 WeakPolarHBondContact O-CE 3.37Å; C27-K240 PolarHBondContact O-NZ 3.27Å
28G93.9Very high76.6Confident0 Ų069.7 Ų69.70%039%0.389CS..THydrogen-bonded Turntrans62.716.6175.500000113.9I38 P163 A241G28-I38 WeakPolarHBondContact O-CD1 3.25Å; G28-P163 PolarHBondContact N-O 2.88Å; G28-A241 WeakPolarHBondContact CA-O 3.36Å; G28-A241 PolarHBondContact O-N 2.86Å
29E93.5Very high77.9Confident58 Ų5873.1 Ų73.127%0.27140%0.395SS..  trans-139.278.8-179.8-67.4176.765.800109.7C27 A31 K32 K240C27-E29 PolarHBondContact O-N 3.18Å; C27-E29 VanDerWaalsContact O-N 3.08Å; E29-A31 PolarHBondContact O-N 2.88Å; E29-A31 VanDerWaalsContact O-N 3.07Å; E29-K32 HydrophobicContact CB-CG 3.81Å; E29-K32 WeakPolarHBondContact O-CB 3.3Å; E29-K32 PolarHBondContact O-N 3.33Å; E29-K32 VanDerWaalsContact OE1-CE 3.28Å; E29-K32 WeakPolarHBondContact OE1-CE 3.1Å; E29-K240 HydrophobicContact CG-CB 4.38Å; E29-K240 HydrophobicContact CG-CD 4.26Å; E29-K240 HydrophobicContact CG-CG 4.08Å; E29-K240 IonicContact OE2-NZ 3.98Å; E29-K240 PolarHBondContact OE2-NZ 2.57Å
30P93.4Very high79.3Confident1 Ų167.7 Ų67.71%0.00637%0.37CS..G310 helixtrans-57.8-28.6-173.1-2837.3000115.3K32 Y33 G34 G35 I38 Y41 P50 W51P30-K32 PolarHBondContact O-N 3.17Å; P30-Y33 PolarHBondContact O-N 2.97Å; P30-G34 PolarHBondContact O-N 2.89Å; P30-G35 PolarHBondContact O-N 2.82Å; P30-I38 HydrophobicContact CG-CG1 4.29Å; P30-Y41 HydrophobicContact CB-CE2 4.02Å; P30-Y41 HydrophobicContact CG-CE2 4.24Å; P30-P50 HydrophobicContact CB-CG 3.65Å; P30-P50 HydrophobicContact CG-CG 3.42Å; P30-P50 VanDerWaalsContact CG-CG 3.42Å; P30-W51 HydrophobicContact CG-CE3 4.49Å; P30-W51 HydrophobicContact CG-CH2 4.48Å; P30-W51 HydrophobicContact CG-CZ3 3.74Å
31A92.6Very high80.8Confident60 Ų6061.3 Ų61.350%0.49634%0.34SS..G310 helixtrans-57.2-27.2175.300000113.3E29 Y33 G34 G35 Q36E29-A31 PolarHBondContact O-N 2.88Å; E29-A31 VanDerWaalsContact O-N 3.07Å; A31-Y33 PolarHBondContact O-N 2.86Å; A31-G34 PolarHBondContact O-N 2.93Å; A31-G35 WeakPolarHBondContact CA-O 3.04Å; A31-Q36 PolarHBondContact N-O 2.9Å
32K92.3Very high82.6Confident126 Ų12657.4 Ų57.455%0.54832%0.323SS..G310 helixtrans-67.2-17.6175-60-63.3-176.8-179.30113.2Q26 E29 P30Q26-K32 HydrophobicContact CB-CB 4.29Å; Q26-K32 HydrophobicContact CG-CB 4.4Å; E29-K32 HydrophobicContact CB-CG 3.81Å; E29-K32 WeakPolarHBondContact O-CB 3.3Å; E29-K32 PolarHBondContact O-N 3.33Å; E29-K32 VanDerWaalsContact OE1-CE 3.28Å; E29-K32 WeakPolarHBondContact OE1-CE 3.1Å; P30-K32 PolarHBondContact O-N 3.17Å
33Y92.6Very high84.3Confident27 Ų2755 Ų5511%0.10632%0.315CS..G310 helixtrans-111.913.8179.2-56.4-74.3000112.9Q26 P30 A31 F157 N158 K159 P163Q26-Y33 HydrophobicContact CB-CE2 4.11Å; Q26-Y33 WeakPolarHBondContact CB-OH 3.4Å; Q26-Y33 VanDerWaalsContact O-CE2 3.31Å; Q26-Y33 WeakPolarHBondContact O-CE2 3.25Å; P30-Y33 PolarHBondContact O-N 2.97Å; A31-Y33 PolarHBondContact O-N 2.86Å; Y33-F157 HydrophobicContact CD1-CB 3.56Å; Y33-F157 HydrophobicContact CD1-CD2 4.29Å; Y33-F157 HydrophobicContact CD1-CG 4.38Å; Y33-F157 HydrophobicContact CE1-CB 3.81Å; Y33-F157 AromaticContact CE1-CD2 3.64Å; Y33-F157 HydrophobicContact CE1-CD2 3.64Å; Y33-F157 HydrophobicContact CE1-CG 4.17Å; Y33-F157 HydrophobicContact CG-CB 4.04Å; Y33-F157 AromaticContact CZ-CD2 3.75Å; Y33-N158 WeakPolarHBondContact CB-O 3.48Å; Y33-N158 CarbonylContact O-C 3.57Å; Y33-K159 PolarHBondContact O-N 3.11Å; Y33-K159 VanDerWaalsContact O-N 3.12Å; Y33-P163 HydrophobicContact CE2-CG 4.49Å
34G92.1Very high85.5Confident58 Ų5852.8 Ų52.860%0.59830%0.304SS*.THydrogen-bonded Turntrans85.16.6-178.900000114.8P30 A31 K159P30-G34 PolarHBondContact O-N 2.89Å; A31-G34 PolarHBondContact O-N 2.93Å; G34-K159 VanDerWaalsContact C-CB 3.44Å; G34-K159 WeakPolarHBondContact O-CB 3.47Å
35G91.7Very high86.2Confident17 Ų1756.6 Ų56.618%0.17531%0.312CS..  trans-78.9-176.4172.400000112.7P30 A31 K159P30-G35 PolarHBondContact O-N 2.82Å; A31-G35 WeakPolarHBondContact CA-O 3.04Å; G35-K159 WeakPolarHBondContact CA-O 3.41Å
36Q90.6Very high86.4Confident80 Ų8058.2 Ų58.237%0.37432%0.323SS..  trans-78.2167.9175.2-52.6-163.839.100112.1A31 A40 Y41 E47A31-Q36 PolarHBondContact N-O 2.9Å; Q36-A40 HydrophobicContact CB-CB 4.02Å; Q36-Y41 HydrophobicContact CB-CD2 4.02Å; Q36-Y41 HydrophobicContact CB-CE2 3.63Å; Q36-Y41 HydrophobicContact CG-CE2 4.41Å; Q36-Y41 WeakPolarHBondContact O-CE2 3.28Å; Q36-E47 PolarHBondContact NE2-OE1 2.74Å; Q36-E47 PolarHBondContact NE2-OE2 3.16Å
37S90.6Very high86.1Confident64 Ų6457.7 Ų57.745%0.44832%0.32SS..  trans-64.1149.916776.40000110.2K39 A40 Y41S37-K39 PolarHBondContact O-N 2.96Å; S37-A40 WeakPolarHBondContact O-CB 3.23Å; S37-A40 PolarHBondContact O-N 3.07Å; S37-A40 PolarHBondContact OG-N 3.31Å; S37-Y41 WeakPolarHBondContact O-CD2 3.27Å; S37-Y41 PolarHBondContact O-N 3.21Å
38I86.9Confident85.8Confident9 Ų958.4 Ų58.45%0.04632%0.324CS..Hα-helixtrans-59-36.2178.6-58.1169.4000111.4G28 P30 A40 Y41 L42 W51 L236 G239 A241G28-I38 WeakPolarHBondContact O-CD1 3.25Å; P30-I38 HydrophobicContact CG-CG1 4.29Å; I38-A40 VanDerWaalsContact C-N 3.3Å; I38-A40 PolarHBondContact O-N 3.48Å; I38-Y41 PolarHBondContact O-N 2.89Å; I38-L42 HydrophobicContact CG2-CD1 4.18Å; I38-L42 HydrophobicContact CG2-CG 4.3Å; I38-L42 WeakPolarHBondContact O-CG 3.23Å; I38-L42 PolarHBondContact O-N 2.87Å; I38-W51 HydrophobicContact CD1-CH2 4.44Å; I38-W51 HydrophobicContact CG1-CH2 4.39Å; I38-L236 HydrophobicContact CD1-CD2 4.19Å; I38-L236 HydrophobicContact CG2-CD1 4.21Å; I38-L236 HydrophobicContact CG2-CD2 3.58Å; I38-G239 WeakPolarHBondContact CD1-O 3.37Å; I38-A241 HydrophobicContact CD1-CB 3.7Å
39K85.1Confident85.8Confident147 Ų14758.5 Ų58.564%0.63933%0.325SS*.Hα-helixtrans-58.6-43.4175.9-175.8175.4178.3-179.30111.4S37 Y41 L42 D43S37-K39 PolarHBondContact O-N 2.96Å; K39-Y41 PolarHBondContact O-N 3.32Å; K39-L42 PolarHBondContact O-N 3.1Å; K39-D43 WeakPolarHBondContact CG-OD2 3.46Å; K39-D43 WeakPolarHBondContact O-CB 3.16Å; K39-D43 PolarHBondContact O-N 2.71Å
40A85.7Confident85.9Confident28 Ų2855.9 Ų55.923%0.23131%0.313CS..Hα-helixtrans-63.3-39.8177.300000112.5Q36 S37 I38 L42 D43 S44Q36-A40 HydrophobicContact CB-CB 4.02Å; S37-A40 WeakPolarHBondContact O-CB 3.23Å; S37-A40 PolarHBondContact O-N 3.07Å; S37-A40 PolarHBondContact OG-N 3.31Å; I38-A40 VanDerWaalsContact C-N 3.3Å; I38-A40 PolarHBondContact O-N 3.48Å; A40-L42 VanDerWaalsContact C-N 3.34Å; A40-L42 PolarHBondContact O-N 2.73Å; A40-D43 PolarHBondContact O-N 3.02Å; A40-S44 WeakPolarHBondContact O-CB 3.47Å; A40-S44 PolarHBondContact O-N 3.35Å
41Y82Confident86Confident19 Ų1955.8 Ų55.88%0.07531%0.313CS..Hα-helixtrans-61-41.6172.9-77.8-78.9000112.5P30 Q36 S37 I38 K39 S44 E47 V48 L49 P50 K159P30-Y41 HydrophobicContact CB-CE2 4.02Å; P30-Y41 HydrophobicContact CG-CE2 4.24Å; Q36-Y41 HydrophobicContact CB-CD2 4.02Å; Q36-Y41 HydrophobicContact CB-CE2 3.63Å; Q36-Y41 HydrophobicContact CG-CE2 4.41Å; Q36-Y41 WeakPolarHBondContact O-CE2 3.28Å; S37-Y41 WeakPolarHBondContact O-CD2 3.27Å; S37-Y41 PolarHBondContact O-N 3.21Å; I38-Y41 PolarHBondContact O-N 2.89Å; K39-Y41 PolarHBondContact O-N 3.32Å; Y41-S44 CarbonylContact O-C 3.59Å; Y41-S44 PolarHBondContact O-N 3.4Å; Y41-E47 HydrophobicContact CD1-CB 3.58Å; Y41-E47 HydrophobicContact CE1-CB 3.96Å; Y41-E47 WeakPolarHBondContact CE1-OE2 3.41Å; Y41-V48 WeakPolarHBondContact CE1-O 3.48Å; Y41-L49 HydrophobicContact CD1-CD2 4.26Å; Y41-L49 HydrophobicContact CD2-CD2 4.3Å; Y41-L49 HydrophobicContact CG-CD2 3.79Å; Y41-P50 HydrophobicContact CE2-CG 4.5Å; Y41-K159 PolarHBondContact OH-O 3.29Å
42L81Confident86.2Confident51 Ų5153.1 Ų53.127%0.26729%0.29SS..Hα-helixtrans-75-31.3-179.1-64.8179.5000113.1I38 K39 A40 F180 L236I38-L42 HydrophobicContact CG2-CD1 4.18Å; I38-L42 HydrophobicContact CG2-CG 4.3Å; I38-L42 WeakPolarHBondContact O-CG 3.23Å; I38-L42 PolarHBondContact O-N 2.87Å; K39-L42 PolarHBondContact O-N 3.1Å; A40-L42 VanDerWaalsContact C-N 3.34Å; A40-L42 PolarHBondContact O-N 2.73Å; L42-F180 HydrophobicContact CD1-CD1 4.5Å; L42-F180 HydrophobicContact CD1-CE1 4.31Å; L42-F180 HydrophobicContact CD2-CD1 3.94Å; L42-F180 HydrophobicContact CD2-CE1 4.06Å; L42-F180 HydrophobicContact CD2-CG 4.34Å; L42-L236 HydrophobicContact CD1-CD1 3.49Å; L42-L236 VanDerWaalsContact CD1-CD1 3.49Å; L42-L236 HydrophobicContact CD1-CG 4.3Å
43D83.1Confident86.4Confident115 Ų11547.1 Ų47.162%0.61526%0.264SS*.Hα-helixtrans-75.7-32.7174.9-66.1-18.3000110.6K39 A40 K45K39-D43 WeakPolarHBondContact CG-OD2 3.46Å; K39-D43 WeakPolarHBondContact O-CB 3.16Å; K39-D43 PolarHBondContact O-N 2.71Å; A40-D43 PolarHBondContact O-N 3.02Å; D43-K45 PolarHBondContact O-N 3.46Å
44S75.6Confident86.6Confident37 Ų3745.8 Ų45.826%0.25926%0.259SS..  trans-84.392.3174.4-173.90000110.7A40 Y41 S46 E47A40-S44 WeakPolarHBondContact O-CB 3.47Å; A40-S44 PolarHBondContact O-N 3.35Å; Y41-S44 CarbonylContact O-C 3.59Å; Y41-S44 PolarHBondContact O-N 3.4Å; S44-S46 PolarHBondContact O-N 3.21Å; S44-E47 PolarHBondContact O-N 3.37Å; S44-E47 VanDerWaalsContact O-N 3.16Å; S44-E47 WeakPolarHBondContact OG-CG 3.18Å; S44-E47 PolarHBondContact OG-OE1 3.28Å
45K67Low86.8Confident184 Ų18443 Ų4380%0.823%0.23SC*.THydrogen-bonded Turntrans-54.6-2.3174.7-65.3-173178.9-1790115.4D43D43-K45 PolarHBondContact O-N 3.46Å
46S66.3Low86.9Confident66 Ų6643.2 Ų43.246%0.46223%0.226SC..THydrogen-bonded Turntrans-109.3-8.7-175.6-81.90000115.2S44 R188S44-S46 PolarHBondContact O-N 3.21Å; S46-R188 PolarHBondContact O-NH2 3.23Å; S46-R188 PolarHBondContact OG-NH2 3.42Å
47E79.1Confident86.9Confident59 Ų5940 Ų4028%0.27621%0.214SC..  trans-106129.8-172.1-69.5-177.1-137.900112.6Q36 Y41 S44Q36-E47 PolarHBondContact NE2-OE1 2.74Å; Q36-E47 PolarHBondContact NE2-OE2 3.16Å; Y41-E47 HydrophobicContact CD1-CB 3.58Å; Y41-E47 HydrophobicContact CE1-CB 3.96Å; Y41-E47 WeakPolarHBondContact CE1-OE2 3.41Å; S44-E47 PolarHBondContact O-N 3.37Å; S44-E47 VanDerWaalsContact O-N 3.16Å; S44-E47 WeakPolarHBondContact OG-CG 3.18Å; S44-E47 PolarHBondContact OG-OE1 3.28Å
48V87.2Confident86.5Confident20 Ų2044.9 Ų44.912%0.12123%0.227CC..  trans-82.1136.9178.6-1790000109.1Y41 T52 D113 L189Y41-V48 WeakPolarHBondContact CE1-O 3.48Å; V48-T52 HydrophobicContact CG1-CG2 4.25Å; V48-D113 HydrophobicContact CG2-CB 4.16Å; V48-L189 HydrophobicContact CB-CB 4.5Å; V48-L189 HydrophobicContact CG1-CB 3.87Å; V48-L189 HydrophobicContact CG1-CD2 4.17Å; V48-L189 HydrophobicContact CG2-CB 3.76Å; V48-L189 WeakPolarHBondContact CG2-O 3.49Å
49L93.4Very high86.2Confident2 Ų253.2 Ų53.21%0.0126%0.263CS..  trans-66.1139.1178.9-70.5166.2000110.7Y41 W51 T52 F180 E191Y41-L49 HydrophobicContact CD1-CD2 4.26Å; Y41-L49 HydrophobicContact CD2-CD2 4.3Å; Y41-L49 HydrophobicContact CG-CD2 3.79Å; L49-W51 HydrophobicContact CB-CD2 4.23Å; L49-W51 HydrophobicContact CB-CZ2 3.88Å; L49-W51 HydrophobicContact CD1-CZ2 3.67Å; L49-W51 HydrophobicContact CD2-CH2 4Å; L49-W51 HydrophobicContact CD2-CZ2 3.82Å; L49-W51 HydrophobicContact CG-CZ2 4.02Å; L49-W51 PolarHBondContact O-N 3.43Å; L49-W51 VanDerWaalsContact O-N 3.09Å; L49-T52 VanDerWaalsContact O-CB 3.32Å; L49-T52 WeakPolarHBondContact O-CB 3.38Å; L49-T52 PolarHBondContact O-N 2.81Å; L49-T52 PolarHBondContact O-OG1 2.97Å; L49-F180 HydrophobicContact CD1-CD2 3.63Å; L49-F180 HydrophobicContact CD1-CE2 2.99Å; L49-F180 HydrophobicContact CD1-CZ 3.54Å; L49-F180 HydrophobicContact CG-CE2 4.47Å; L49-E191 HydrophobicContact CD1-CB 4.45Å; L49-E191 VanDerWaalsContact CD1-CD 3.49Å; L49-E191 HydrophobicContact CD1-CG 3.54Å; L49-E191 HydrophobicContact CG-CG 3.9Å
50P94.9Very high86.1Confident3 Ų348.2 Ų48.22%0.01925%0.253CS..THydrogen-bonded Turntrans-72.8-8.8-165.326.8-35.3000114.6P30 Y41 E160 V161 S162P30-P50 HydrophobicContact CB-CG 3.65Å; P30-P50 HydrophobicContact CG-CG 3.42Å; P30-P50 VanDerWaalsContact CG-CG 3.42Å; Y41-P50 HydrophobicContact CE2-CG 4.5Å; P50-E160 WeakPolarHBondContact CA-O 3.26Å; P50-E160 VanDerWaalsContact CB-O 3.31Å; P50-E160 WeakPolarHBondContact CB-O 3.37Å; P50-V161 WeakPolarHBondContact O-CA 3.33Å; P50-S162 CarbonylContact C-O 3.55Å; P50-S162 WeakPolarHBondContact CB-OG 3.31Å; P50-S162 WeakPolarHBondContact CG-OG 3.17Å; P50-S162 PolarHBondContact O-N 2.79Å
51W96.8Very high86.1Confident0 Ų056 Ų560%028%0.277CS..THydrogen-bonded Turntrans-89.7-17.3170.146.176.3000113P30 I38 L49 V53 S67 I68 S162 V164 F180 V234 A241P30-W51 HydrophobicContact CG-CE3 4.49Å; P30-W51 HydrophobicContact CG-CH2 4.48Å; P30-W51 HydrophobicContact CG-CZ3 3.74Å; I38-W51 HydrophobicContact CD1-CH2 4.44Å; I38-W51 HydrophobicContact CG1-CH2 4.39Å; L49-W51 HydrophobicContact CB-CD2 4.23Å; L49-W51 HydrophobicContact CB-CZ2 3.88Å; L49-W51 HydrophobicContact CD1-CZ2 3.67Å; L49-W51 HydrophobicContact CD2-CH2 4Å; L49-W51 HydrophobicContact CD2-CZ2 3.82Å; L49-W51 HydrophobicContact CG-CZ2 4.02Å; L49-W51 PolarHBondContact O-N 3.43Å; L49-W51 VanDerWaalsContact O-N 3.09Å; W51-V53 PolarHBondContact O-N 3.11Å; W51-S67 CarbonylContact O-C 3.51Å; W51-S67 VanDerWaalsContact O-CA 3.28Å; W51-S67 WeakPolarHBondContact O-CA 3.34Å; W51-I68 HydrophobicContact CB-CB 4.49Å; W51-I68 PolarHBondContact O-N 3.05Å; W51-S162 WeakPolarHBondContact CA-O 3.37Å; W51-S162 VanDerWaalsContact CB-O 3.24Å; W51-S162 WeakPolarHBondContact CB-O 3.34Å; W51-S162 PolarHBondContact N-O 2.87Å; W51-V164 HydrophobicContact CB-CB 3.97Å; W51-V164 HydrophobicContact CB-CG1 4.33Å; W51-V164 HydrophobicContact CD2-CB 3.69Å; W51-V164 HydrophobicContact CD2-CG2 4.13Å; W51-V164 HydrophobicContact CE3-CB 4.02Å; W51-V164 HydrophobicContact CE3-CG2 4.44Å; W51-V164 HydrophobicContact CG-CB 3.68Å; W51-V164 HydrophobicContact CG-CG1 4.28Å; W51-V164 HydrophobicContact CG-CG2 4.47Å; W51-V164 HydrophobicContact CZ2-CG2 4.42Å; W51-F180 HydrophobicContact CZ2-CE2 4.12Å; W51-F180 AromaticContact CZ2-CZ 3.93Å; W51-F180 HydrophobicContact CZ2-CZ 3.93Å; W51-V234 HydrophobicContact CZ2-CG1 4.17Å; W51-A241 HydrophobicContact CH2-CB 3.27Å; W51-A241 HydrophobicContact CZ2-CB 3.72Å; W51-A241 HydrophobicContact CZ3-CB 3.96Å
52T96.5Very high86.6Confident3 Ų357.3 Ų57.32%0.01828%0.283CS..EExtended strand (participates in β ladder)trans-69.8128.2-174.6-56.60000109.2V48 L49 L65 S182 L189 E191V48-T52 HydrophobicContact CG1-CG2 4.25Å; L49-T52 VanDerWaalsContact O-CB 3.32Å; L49-T52 WeakPolarHBondContact O-CB 3.38Å; L49-T52 PolarHBondContact O-N 2.81Å; L49-T52 PolarHBondContact O-OG1 2.97Å; T52-L65 HydrophobicContact CG2-CD2 4.37Å; T52-S182 PolarHBondContact OG1-OG 3.48Å; T52-L189 HydrophobicContact CG2-CD2 3.93Å; T52-E191 PolarHBondContact OG1-OE1 2.89Å
53V97.1Very high87.2Confident0 Ų058.8 Ų58.80%029%0.287CS..EExtended strand (participates in β ladder)trans-121.2156.2177.2-550000111.4W51 L65 G66 I68 I85 V108 F109 A110 F155W51-V53 PolarHBondContact O-N 3.11Å; V53-L65 CarbonylContact O-C 3.56Å; V53-L65 VanDerWaalsContact O-CA 3.23Å; V53-L65 WeakPolarHBondContact O-CA 3.23Å; V53-G66 VanDerWaalsContact CG2-C 3.45Å; V53-G66 PolarHBondContact N-O 3.18Å; V53-G66 PolarHBondContact O-N 3.21Å; V53-I68 HydrophobicContact CG1-CD1 3.94Å; V53-I68 HydrophobicContact CG1-CG1 3.52Å; V53-I85 HydrophobicContact CG1-CD1 4.27Å; V53-I85 HydrophobicContact CG2-CG2 3.52Å; V53-V108 HydrophobicContact CB-CG1 3.81Å; V53-V108 HydrophobicContact CG1-CG1 4.31Å; V53-V108 HydrophobicContact CG2-CG1 3.72Å; V53-F109 CarbonylContact C-O 3.53Å; V53-F109 WeakPolarHBondContact CA-O 3.44Å; V53-F109 VanDerWaalsContact CB-O 3.22Å; V53-F109 WeakPolarHBondContact CB-O 3.04Å; V53-A110 HydrophobicContact CG1-CB 3.84Å; V53-F155 HydrophobicContact CG1-CE2 4.24Å
54A96.1Very high87.8Confident0 Ų053.3 Ų53.30%026%0.258CS..EExtended strand (participates in β ladder)trans-112.8138.2171.400000111V108 F109 L115 L189A54-V108 CarbonylContact O-C 3.55Å; A54-V108 WeakPolarHBondContact O-CA 3.37Å; A54-F109 PolarHBondContact N-O 3.35Å; A54-F109 PolarHBondContact O-N 3.23Å; A54-L115 HydrophobicContact CB-CD1 3.61Å; A54-L115 HydrophobicContact CB-CD2 3.71Å; A54-L115 HydrophobicContact CB-CG 4.07Å; A54-L189 HydrophobicContact CB-CD2 4.31Å
55I96.1Very high88.8Confident0 Ų051.6 Ų51.60%025%0.245CC..EExtended strand (participates in β ladder)trans-108.3125.1176.5-52.9179.9000108.3K63 C64 T87 F92 Y106 V108I55-K63 HydrophobicContact CG2-CB 4.5Å; I55-K63 WeakPolarHBondContact O-CB 3.08Å; I55-K63 PolarHBondContact O-N 3.09Å; I55-C64 HydrophobicContact CB-CB 4.42Å; I55-C64 HydrophobicContact CD1-CB 4.38Å; I55-C64 PolarHBondContact N-O 2.88Å; I55-C64 PolarHBondContact O-N 3.16Å; I55-T87 HydrophobicContact CD1-CG2 3.76Å; I55-F92 HydrophobicContact CD1-CZ 4.01Å; I55-F92 HydrophobicContact CG2-CE1 4.29Å; I55-Y106 HydrophobicContact CG2-CD1 4.31Å; I55-V108 HydrophobicContact CG1-CG2 4.32Å
56R93.5Very high90.2Very high20 Ų2042.8 Ų42.88%0.07521%0.207CC..EExtended strand (participates in β ladder)trans-110.5149171-64.1-177.3175.3176.86.3110.7G60 R61 Y106 K107 F109 R116R56-G60 VanDerWaalsContact CD-O 3.31Å; R56-G60 WeakPolarHBondContact CD-O 3.3Å; R56-R61 VanDerWaalsContact CA-O 3.31Å; R56-R61 WeakPolarHBondContact CA-O 3.32Å; R56-Y106 CarbonylContact O-C 3.46Å; R56-Y106 VanDerWaalsContact O-CA 3.28Å; R56-Y106 WeakPolarHBondContact O-CA 3.49Å; R56-K107 PolarHBondContact N-O 2.92Å; R56-K107 PolarHBondContact O-N 3.24Å; R56-F109 HydrophobicContact CB-CE2 4Å; R56-F109 HydrophobicContact CG-CD2 4.2Å; R56-F109 HydrophobicContact CG-CE2 3.83Å; R56-R116 PolarHBondContact NH1-O 2.89Å; R56-R116 PolarHBondContact NH2-O 2.96Å
57G92Very high91.8Very high12 Ų1239.7 Ų39.712%0.12419%0.185CC..EExtended strand (participates in β ladder)trans-83.7176.1166.500000112.7F59 G60 R61 S105G57-F59 PolarHBondContact O-N 3.03Å; G57-G60 PolarHBondContact O-N 3.21Å; G57-R61 PolarHBondContact N-O 2.97Å; G57-S105 CarbonylContact C-O 3.54Å; G57-S105 WeakPolarHBondContact CA-O 3.25Å
58K81.4Confident92.7Very high168 Ų16836.9 Ų36.973%0.7317%0.172SC*.THydrogen-bonded Turntrans-47.8-31.1-177.8-166.4175.7-177.9178.40115.4S105K58-S105 PolarHBondContact N-O 3.49Å
59F80.5Confident93.1Very high184 Ų18436.2 Ų36.281%0.80717%0.168SC*.THydrogen-bonded Turntrans-97.521.3-179.3-55.6-67000113.9G57 R61G57-F59 PolarHBondContact O-N 3.03Å; F59-R61 PolarHBondContact O-N 3.39Å
60G82Confident93.1Very high41 Ų4137.2 Ų37.242%0.42317%0.174SC..SBendtrans71.3-3.5179.500000115.2R56 G57 F62R56-G60 VanDerWaalsContact CD-O 3.31Å; R56-G60 WeakPolarHBondContact CD-O 3.3Å; G57-G60 PolarHBondContact O-N 3.21Å; G60-F62 PolarHBondContact O-N 3.13Å
61R87.2Confident92.8Very high193 Ų19339.2 Ų39.273%0.72818%0.184SC*.  trans-65.2129.8175-71.4-176.5165.9178.7-4.7110.4R56 G57 F59R56-R61 VanDerWaalsContact CA-O 3.31Å; R56-R61 WeakPolarHBondContact CA-O 3.32Å; G57-R61 PolarHBondContact N-O 2.97Å; F59-R61 PolarHBondContact O-N 3.39Å
62F91.7Very high91.8Very high45 Ų4543.8 Ų43.820%0.19721%0.208CC..EExtended strand (participates in β ladder)trans-54.9140.1168.4173.4-97.4000110G60 C64 L65 L115 Y184G60-F62 PolarHBondContact O-N 3.13Å; F62-C64 VanDerWaalsContact CE2-C 3.47Å; F62-C64 WeakPolarHBondContact CE2-O 3.08Å; F62-C64 VanDerWaalsContact CZ-C 3.44Å; F62-L65 HydrophobicContact CE2-CD2 3.97Å; F62-L65 HydrophobicContact CE2-CG 4.22Å; F62-L65 HydrophobicContact CZ-CD2 4.21Å; F62-L65 HydrophobicContact CZ-CG 3.98Å; F62-L115 HydrophobicContact CB-CD1 4.4Å; F62-L115 HydrophobicContact CD2-CD1 3.52Å; F62-L115 HydrophobicContact CE2-CD1 4.25Å; F62-L115 HydrophobicContact CG-CD1 4.36Å; F62-Y184 HydrophobicContact CB-CE1 3.89Å; F62-Y184 AromaticContact CD1-CD1 3.52Å; F62-Y184 HydrophobicContact CD1-CD1 3.52Å; F62-Y184 AromaticContact CD1-CE1 3.63Å; F62-Y184 HydrophobicContact CD1-CE1 3.63Å; F62-Y184 HydrophobicContact CD1-CG 4.31Å; F62-Y184 AromaticContact CD2-CD1 3.99Å; F62-Y184 HydrophobicContact CD2-CD1 3.99Å; F62-Y184 HydrophobicContact CD2-CD2 4.3Å; F62-Y184 AromaticContact CD2-CE1 3.97Å; F62-Y184 HydrophobicContact CD2-CE1 3.97Å; F62-Y184 HydrophobicContact CD2-CE2 4.28Å; F62-Y184 HydrophobicContact CD2-CG 4.12Å; F62-Y184 AromaticContact CE1-CD1 3.48Å; F62-Y184 HydrophobicContact CE1-CD1 3.48Å; F62-Y184 VanDerWaalsContact CE1-CD1 3.48Å; F62-Y184 HydrophobicContact CE1-CE1 4.1Å; F62-Y184 AromaticContact CE1-CG 3.98Å; F62-Y184 HydrophobicContact CE1-CG 3.98Å; F62-Y184 AromaticContact CE2-CD1 3.93Å; F62-Y184 HydrophobicContact CE2-CD1 3.93Å; F62-Y184 HydrophobicContact CE2-CD2 4.1Å; F62-Y184 HydrophobicContact CE2-CE1 4.39Å; F62-Y184 AromaticContact CE2-CG 3.75Å; F62-Y184 HydrophobicContact CE2-CG 3.75Å; F62-Y184 AromaticContact CG-CD1 3.76Å; F62-Y184 HydrophobicContact CG-CD1 3.76Å; F62-Y184 AromaticContact CG-CE1 3.54Å; F62-Y184 HydrophobicContact CG-CE1 3.54Å; F62-Y184 HydrophobicContact CG-CG 4.37Å; F62-Y184 AromaticContact CG-CZ 3.98Å; F62-Y184 AromaticContact CZ-CD1 3.67Å; F62-Y184 HydrophobicContact CZ-CD1 3.67Å; F62-Y184 HydrophobicContact CZ-CD2 4.46Å; F62-Y184 HydrophobicContact CZ-CE1 4.43Å; F62-Y184 AromaticContact CZ-CG 3.66Å; F62-Y184 HydrophobicContact CZ-CG 3.66Å
63K93Very high90.3Very high83 Ų8346 Ų4636%0.36122%0.22SC..EExtended strand (participates in β ladder)trans-119.2-51.8178.4-72.4-63-170.8175.90111.7I55I55-K63 HydrophobicContact CG2-CB 4.5Å; I55-K63 WeakPolarHBondContact O-CB 3.08Å; I55-K63 PolarHBondContact O-N 3.09Å
64C95.5Very high88.3Confident0 Ų056.5 Ų56.50%027%0.266CS..EExtended strand (participates in β ladder)trans-159.6168.2-172.7-74.20000111.3I55 F62 C91 L229I55-C64 HydrophobicContact CB-CB 4.42Å; I55-C64 HydrophobicContact CD1-CB 4.38Å; I55-C64 PolarHBondContact N-O 2.88Å; I55-C64 PolarHBondContact O-N 3.16Å; F62-C64 VanDerWaalsContact CE2-C 3.47Å; F62-C64 WeakPolarHBondContact CE2-O 3.08Å; F62-C64 VanDerWaalsContact CZ-C 3.44Å; C64-C91 HydrophobicContact CB-CB 3.75Å; C64-C91 WeakPolarHBondContact CB-SG 3.08Å; C64-C91 WeakPolarHBondContact SG-CA 3.49Å; C64-C91 WeakPolarHBondContact SG-CB 3.09Å; C64-C91 CovalentContact SG-SG 2Å; C64-C91 PolarHBondContact SG-SG 2.82Å; C64-L229 WeakPolarHBondContact CA-O 3.34Å; C64-L229 VanDerWaalsContact CB-O 3.29Å; C64-L229 WeakPolarHBondContact CB-O 3.38Å; C64-L229 VanDerWaalsContact SG-CD2 3.58Å
65L97Very high86.5Confident0 Ų061.9 Ų61.90%030%0.295CS..EExtended strand (participates in β ladder)trans-92.1176.7160.7-63.3169.2000110.8T52 V53 F62 T87 S182 L189 L229 G230T52-L65 HydrophobicContact CG2-CD2 4.37Å; V53-L65 CarbonylContact O-C 3.56Å; V53-L65 VanDerWaalsContact O-CA 3.23Å; V53-L65 WeakPolarHBondContact O-CA 3.23Å; F62-L65 HydrophobicContact CE2-CD2 3.97Å; F62-L65 HydrophobicContact CE2-CG 4.22Å; F62-L65 HydrophobicContact CZ-CD2 4.21Å; F62-L65 HydrophobicContact CZ-CG 3.98Å; L65-T87 PolarHBondContact O-OG1 3.47Å; L65-S182 VanDerWaalsContact CD1-C 3.42Å; L65-S182 WeakPolarHBondContact CD1-O 3.43Å; L65-L189 HydrophobicContact CD2-CD2 3.99Å; L65-L189 HydrophobicContact CD2-CG 4.01Å; L65-L229 PolarHBondContact N-O 2.92Å; L65-G230 CarbonylContact C-O 3.48Å; L65-G230 CarbonylContact O-C 3.56Å
66G98Very high85.1Confident0 Ų063.5 Ų63.50%031%0.311CS..EExtended strand (participates in β ladder)trans-169.4-171.5173.800000110.6V53 L86 G230V53-G66 VanDerWaalsContact CG2-C 3.45Å; V53-G66 PolarHBondContact N-O 3.18Å; V53-G66 PolarHBondContact O-N 3.21Å; G66-L86 CarbonylContact C-O 3.44Å; G66-L86 WeakPolarHBondContact CA-O 3.05Å; G66-G230 WeakPolarHBondContact CA-O 3.41Å
67S98.4Very high83.9Confident0 Ų069 Ų690%033%0.332CS..EExtended strand (participates in β ladder)trans-141.4139.7-177.540.20000111.8W51 I85 L86 Q243W51-S67 CarbonylContact O-C 3.51Å; W51-S67 VanDerWaalsContact O-CA 3.28Å; W51-S67 WeakPolarHBondContact O-CA 3.34Å; S67-I85 CarbonylContact O-C 3.49Å; S67-I85 VanDerWaalsContact O-CA 3.24Å; S67-I85 WeakPolarHBondContact O-CA 3.14Å; S67-L86 PolarHBondContact N-O 3.29Å; S67-L86 PolarHBondContact O-N 3.48Å; S67-L86 PolarHBondContact OG-O 2.95Å; S67-Q243 VanDerWaalsContact OG-CD 3.31Å; S67-Q243 PolarHBondContact OG-NE2 3.01Å; S67-Q243 PolarHBondContact OG-OE1 2.98Å
68I98.1Very high82.8Confident0 Ų070.4 Ų70.40%034%0.336CS..EExtended strand (participates in β ladder)trans-79.5125.1170.3-54.1171.1000108.5W51 V53 I85 A110 F155 F157 V161 P163 V164W51-I68 HydrophobicContact CB-CB 4.49Å; W51-I68 PolarHBondContact O-N 3.05Å; V53-I68 HydrophobicContact CG1-CD1 3.94Å; V53-I68 HydrophobicContact CG1-CG1 3.52Å; I68-I85 HydrophobicContact CB-CD1 4.45Å; I68-I85 HydrophobicContact CG1-CD1 3.85Å; I68-A110 HydrophobicContact CD1-CB 3.94Å; I68-F155 HydrophobicContact CD1-CD2 3.81Å; I68-F155 HydrophobicContact CG1-CD2 4.12Å; I68-F157 HydrophobicContact CG2-CE1 3.91Å; I68-F157 HydrophobicContact CG2-CZ 4.46Å; I68-V161 HydrophobicContact CD1-CG1 3.44Å; I68-V161 VanDerWaalsContact CD1-CG1 3.44Å; I68-P163 HydrophobicContact CG2-CB 4.19Å; I68-P163 CarbonylContact O-C 3.08Å; I68-P163 VanDerWaalsContact O-CA 3.31Å; I68-P163 WeakPolarHBondContact O-CA 3.31Å; I68-V164 PolarHBondContact O-N 2.84Å
69I95.9Very high82.9Confident6 Ų667.5 Ų67.53%0.03132%0.32CS..  trans-112.2153.5175.861.3162.9000110.6S82 L84 L86 L148 V164 V166 L274I69-S82 VanDerWaalsContact O-CB 3.23Å; I69-S82 WeakPolarHBondContact O-CB 3.46Å; I69-S82 PolarHBondContact O-OG 3.32Å; I69-L84 HydrophobicContact CD1-CB 3.98Å; I69-L84 HydrophobicContact CD1-CD1 4.37Å; I69-L84 HydrophobicContact CG1-CB 3.54Å; I69-L84 PolarHBondContact N-O 3.32Å; I69-L86 HydrophobicContact CD1-CD1 4.1Å; I69-L86 HydrophobicContact CD1-CD2 4.25Å; I69-L86 HydrophobicContact CD1-CG 3.78Å; I69-L86 HydrophobicContact CG1-CG 4.28Å; I69-L86 HydrophobicContact CG2-CB 4.29Å; I69-L86 HydrophobicContact CG2-CD1 3.6Å; I69-L86 HydrophobicContact CG2-CG 3.78Å; I69-L148 HydrophobicContact CD1-CD1 3.85Å; I69-V164 HydrophobicContact CG2-CG1 4.37Å; I69-V166 HydrophobicContact CB-CG2 3.75Å; I69-V166 HydrophobicContact CG2-CG2 3.4Å; I69-L274 HydrophobicContact CD1-CD2 4.2Å
70P92.9Very high83.5Confident23 Ų2363.9 Ų63.915%0.14931%0.309CS..PPolyproline II helixtrans-63.7144.7-179.424.5-34.3000112.4C27 H78 V164C27-P70 HydrophobicContact CB-CB 4.48Å; C27-P70 HydrophobicContact CB-CG 4.2Å; P70-H78 VanDerWaalsContact CB-CE1 3.41Å; P70-H78 WeakPolarHBondContact CB-CE1 3.02Å; P70-H78 WeakPolarHBondContact CB-ND1 3.36Å; P70-V164 WeakPolarHBondContact CD-O 3.5Å
71E88.2Confident84.1Confident45 Ų4562.7 Ų62.721%0.2129%0.294CS..PPolyproline II helixtrans-103.6123.1162.7-173.8178.2-130.400107.6R79 L84E71-R79 PolarHBondContact O-N 3.3Å; E71-R79 WeakPolarHBondContact OE2-CD 3.07Å; E71-R79 IonicContact OE2-CZ 3.71Å; E71-R79 IonicContact OE2-NE 3.8Å; E71-R79 IonicContact OE2-NH1 2.92Å; E71-R79 PolarHBondContact OE2-NH1 2.83Å; E71-L84 HydrophobicContact CB-CD1 4.29Å; E71-L84 HydrophobicContact CG-CD1 4.47Å
72N77.2Confident84.5Confident97 Ų9753.5 Ų53.552%0.51926%0.26SS..BIsolated β-bridgetrans-83.8137.7173.5-63.4-7.8000108.8R77 H78N72-R77 CarbonylContact C-O 3.39Å; N72-H78 PolarHBondContact OD1-CE1 3.42Å
73D64.3Low84.7Confident50 Ų5054.3 Ų54.327%0.26726%0.263SS..  trans-71175.4168.2796.3000110.9N75 G76 R77 R79D73-N75 PolarHBondContact O-N 3.18Å; D73-N75 VanDerWaalsContact O-N 3.08Å; D73-N75 VanDerWaalsContact OD1-C 3.27Å; D73-N75 VanDerWaalsContact OD1-CA 3.29Å; D73-N75 WeakPolarHBondContact OD1-CA 3.26Å; D73-N75 WeakPolarHBondContact OD1-CB 3.08Å; D73-N75 PolarHBondContact OD1-N 2.97Å; D73-G76 PolarHBondContact O-N 2.86Å; D73-G76 PolarHBondContact OD1-N 3.07Å; D73-R77 WeakPolarHBondContact CB-O 3.5Å; D73-R77 PolarHBondContact N-O 3.2Å; D73-R77 WeakPolarHBondContact OD1-CA 2.97Å; D73-R77 PolarHBondContact OD1-N 2.92Å; D73-R77 WeakPolarHBondContact OD2-CB 3.37Å; D73-R77 IonicContact OD2-NE 3.83Å; D73-R79 HydrophobicContact CB-CG 4.22Å
74F54.8Low84.9Confident219 Ų21951.9 Ų51.996%0.96125%0.254SS*.THydrogen-bonded Turntrans-58.2-22.8-179.7-65.9-77.1000113.5
75N59.8Low85.1Confident113 Ų11351.9 Ų51.960%0.60425%0.254SS*.THydrogen-bonded Turntrans-97.38179.7-63.45.3000111.8D73 R77D73-N75 PolarHBondContact O-N 3.18Å; D73-N75 VanDerWaalsContact O-N 3.08Å; D73-N75 VanDerWaalsContact OD1-C 3.27Å; D73-N75 VanDerWaalsContact OD1-CA 3.29Å; D73-N75 WeakPolarHBondContact OD1-CA 3.26Å; D73-N75 WeakPolarHBondContact OD1-CB 3.08Å; D73-N75 PolarHBondContact OD1-N 2.97Å; N75-R77 VanDerWaalsContact C-N 3.27Å; N75-R77 PolarHBondContact ND2-NH2 3.46Å; N75-R77 PolarHBondContact O-N 3.22Å
76G65.7Low85.1Confident34 Ų3451.9 Ų51.935%0.35125%0.254SS..SBendtrans784.7-177.400000114.7D73D73-G76 PolarHBondContact O-N 2.86Å; D73-G76 PolarHBondContact OD1-N 3.07Å
77R68.7Low85.1Confident135 Ų13551.9 Ų51.951%0.50925%0.254SS..PPolyproline II helixtrans-81.5140.8177.7-61.2-176.8-76.8-148.1-4111.2V23 N72 D73 N75 R79V23-R77 HydrophobicContact CG1-CB 4.5Å; V23-R77 HydrophobicContact CG1-CG 4.23Å; N72-R77 CarbonylContact C-O 3.39Å; D73-R77 WeakPolarHBondContact CB-O 3.5Å; D73-R77 PolarHBondContact N-O 3.2Å; D73-R77 WeakPolarHBondContact OD1-CA 2.97Å; D73-R77 PolarHBondContact OD1-N 2.92Å; D73-R77 WeakPolarHBondContact OD2-CB 3.37Å; D73-R77 IonicContact OD2-NE 3.83Å; N75-R77 VanDerWaalsContact C-N 3.27Å; N75-R77 PolarHBondContact ND2-NH2 3.46Å; N75-R77 PolarHBondContact O-N 3.22Å; R77-R79 PolarHBondContact O-N 3.23Å
78H69.5Low85Confident43 Ų4351.9 Ų51.920%0.19925%0.254CS..BIsolated β-bridgetrans-66.7132.4174.7-71.2-86.4000110.6S25 P70 N72S25-H78 WeakPolarHBondContact CB-NE2 3.17Å; P70-H78 VanDerWaalsContact CB-CE1 3.41Å; P70-H78 WeakPolarHBondContact CB-CE1 3.02Å; P70-H78 WeakPolarHBondContact CB-ND1 3.36Å; N72-H78 PolarHBondContact OD1-CE1 3.42Å
79R83.4Confident84.9Confident107 Ų10751.9 Ų51.940%0.40425%0.254SS..PPolyproline II helixtrans-77.7150.1169.2-58.3-178.775-178.69.6109.5E71 D73 R77 S81 F157E71-R79 PolarHBondContact O-N 3.3Å; E71-R79 WeakPolarHBondContact OE2-CD 3.07Å; E71-R79 IonicContact OE2-CZ 3.71Å; E71-R79 IonicContact OE2-NE 3.8Å; E71-R79 IonicContact OE2-NH1 2.92Å; E71-R79 PolarHBondContact OE2-NH1 2.83Å; D73-R79 HydrophobicContact CB-CG 4.22Å; R77-R79 PolarHBondContact O-N 3.23Å; R79-S81 WeakPolarHBondContact CB-O 3.2Å; R79-S81 PolarHBondContact O-N 3.46Å; R79-F157 WeakPolarHBondContact O-CE2 3.36Å
80N91.6Very high84.8Confident108 Ų10852.3 Ų52.358%0.57826%0.257SS*.SBendtrans-73.524.9170.1-70.2-20.5000113.1F157N80-F157 PolarHBondContact O-N 3Å
81S94.9Very high84.9Confident16 Ų1651.4 Ų51.411%0.11225%0.251CS..EExtended strand (participates in β ladder)trans-163.6157-178.570.20000109.6R79 F155 F157R79-S81 WeakPolarHBondContact CB-O 3.2Å; R79-S81 PolarHBondContact O-N 3.46Å; S81-F155 CarbonylContact C-O 3.6Å; S81-F155 WeakPolarHBondContact CA-O 3.49Å; S81-F155 WeakPolarHBondContact CB-O 3.38Å; S81-F157 VanDerWaalsContact C-CZ 3.47Å
82S95.8Very high85.2Confident0 Ų049.2 Ų49.20%024%0.241CC..EExtended strand (participates in β ladder)trans-143.7144.8174.2178.10000112.5I69 L84 P154 F155I69-S82 VanDerWaalsContact O-CB 3.23Å; I69-S82 WeakPolarHBondContact O-CB 3.46Å; I69-S82 PolarHBondContact O-OG 3.32Å; S82-L84 PolarHBondContact OG-N 3.47Å; S82-P154 CarbonylContact O-C 3.58Å; S82-P154 VanDerWaalsContact O-CA 3.27Å; S82-P154 WeakPolarHBondContact O-CA 3.35Å; S82-F155 PolarHBondContact N-O 3.18Å; S82-F155 PolarHBondContact O-N 2.96Å
83K97Very high86Confident62 Ų6246.8 Ų46.827%0.2723%0.225SC..EExtended strand (participates in β ladder)trans-95.6-6.4171.2-60.8-179.3-180177.40112.8T150 L151 P154K83-T150 HydrophobicContact CB-CG2 4.38Å; K83-T150 WeakPolarHBondContact O-CA 3.4Å; K83-L151 HydrophobicContact CB-CB 4.38Å; K83-L151 WeakPolarHBondContact O-CG 3.27Å; K83-L151 PolarHBondContact O-N 2.92Å; K83-P154 HydrophobicContact CG-CB 3.67Å; K83-P154 HydrophobicContact CG-CG 4.49Å
84L97.1Very high87Confident32 Ų3248 Ų4817%0.16823%0.228CC..EExtended strand (participates in β ladder)trans-101.1124.5-163.1-60.1-178.5000110.8I69 E71 S82 L148 V149I69-L84 HydrophobicContact CD1-CB 3.98Å; I69-L84 HydrophobicContact CD1-CD1 4.37Å; I69-L84 HydrophobicContact CG1-CB 3.54Å; I69-L84 PolarHBondContact N-O 3.32Å; E71-L84 HydrophobicContact CB-CD1 4.29Å; E71-L84 HydrophobicContact CG-CD1 4.47Å; S82-L84 PolarHBondContact OG-N 3.47Å; L84-L148 HydrophobicContact CB-CD1 4.27Å; L84-L148 HydrophobicContact CD2-CD1 4.43Å; L84-V149 WeakPolarHBondContact CA-O 3.02Å
85I98.4Very high88.1Confident0 Ų041.3 Ų41.30%021%0.214CC..EExtended strand (participates in β ladder)trans-123.1126.8177.6-47.6-65.6000109.3V53 S67 I68 V108 V149 L151 F155V53-I85 HydrophobicContact CG1-CD1 4.27Å; V53-I85 HydrophobicContact CG2-CG2 3.52Å; S67-I85 CarbonylContact O-C 3.49Å; S67-I85 VanDerWaalsContact O-CA 3.24Å; S67-I85 WeakPolarHBondContact O-CA 3.14Å; I68-I85 HydrophobicContact CB-CD1 4.45Å; I68-I85 HydrophobicContact CG1-CD1 3.85Å; I85-V108 HydrophobicContact CD1-CG1 4.37Å; I85-V108 HydrophobicContact CG1-CG1 4.22Å; I85-V149 HydrophobicContact CB-CB 4.09Å; I85-V149 PolarHBondContact N-O 2.99Å; I85-V149 PolarHBondContact O-N 3Å; I85-L151 HydrophobicContact CD1-CD1 4.15Å; I85-L151 HydrophobicContact CG1-CD1 4.05Å; I85-L151 HydrophobicContact CG1-CD2 4.41Å; I85-L151 HydrophobicContact CG1-CG 4.13Å; I85-F155 HydrophobicContact CD1-CD2 4.07Å; I85-F155 HydrophobicContact CD1-CE2 3.9Å
86L98Very high89.2Confident0 Ų044.3 Ų44.30%023%0.229CC..EExtended strand (participates in β ladder)trans-93.1135.4168.8-73.5-178.1000110.7G66 S67 I69 L148 V166 V246 V270 V273 L274G66-L86 CarbonylContact C-O 3.44Å; G66-L86 WeakPolarHBondContact CA-O 3.05Å; S67-L86 PolarHBondContact N-O 3.29Å; S67-L86 PolarHBondContact O-N 3.48Å; S67-L86 PolarHBondContact OG-O 2.95Å; I69-L86 HydrophobicContact CD1-CD1 4.1Å; I69-L86 HydrophobicContact CD1-CD2 4.25Å; I69-L86 HydrophobicContact CD1-CG 3.78Å; I69-L86 HydrophobicContact CG1-CG 4.28Å; I69-L86 HydrophobicContact CG2-CB 4.29Å; I69-L86 HydrophobicContact CG2-CD1 3.6Å; I69-L86 HydrophobicContact CG2-CG 3.78Å; L86-L148 HydrophobicContact CD2-CB 4.37Å; L86-L148 HydrophobicContact CD2-CD1 3.75Å; L86-L148 HydrophobicContact CG-CD1 4.41Å; L86-V166 HydrophobicContact CD1-CG2 4.29Å; L86-V246 HydrophobicContact CB-CG2 4.43Å; L86-V270 HydrophobicContact CD1-CB 4.18Å; L86-V270 HydrophobicContact CD1-CG1 3.87Å; L86-V273 HydrophobicContact CD2-CG1 3.53Å; L86-L274 HydrophobicContact CD2-CD2 4.34Å
87T98Very high90.1Very high0 Ų049.9 Ų49.90%024%0.244CC..EExtended strand (participates in β ladder)trans-161.7-175.4-179.6-171.60000110.7I55 L65 C91 F92 I146 A147 V149 V246I55-T87 HydrophobicContact CD1-CG2 3.76Å; L65-T87 PolarHBondContact O-OG1 3.47Å; T87-C91 PolarHBondContact OG1-SG 2.88Å; T87-F92 HydrophobicContact CG2-CE2 3.61Å; T87-F92 HydrophobicContact CG2-CZ 3.86Å; T87-I146 WeakPolarHBondContact O-CG2 3.34Å; T87-A147 HydrophobicContact CG2-CB 4.02Å; T87-A147 PolarHBondContact N-O 3.29Å; T87-A147 PolarHBondContact O-N 2.04Å; T87-V149 HydrophobicContact CG2-CG2 4.01Å; T87-V246 VanDerWaalsContact C-CG1 3.45Å
88A96.7Very high90.8Very high0 Ų049.1 Ų49.10%024%0.244CC..EExtended strand (participates in β ladder)trans-83.9147.5176.900000111.7S90 C91 L229 V246 L248A88-S90 VanDerWaalsContact C-N 3.27Å; A88-S90 PolarHBondContact O-N 2.87Å; A88-C91 VanDerWaalsContact O-CB 3.27Å; A88-C91 WeakPolarHBondContact O-CB 3.37Å; A88-C91 PolarHBondContact O-N 3.45Å; A88-C91 PolarHBondContact O-SG 3.47Å; A88-L229 HydrophobicContact CB-CD1 3.94Å; A88-L229 HydrophobicContact CB-CG 4.27Å; A88-V246 HydrophobicContact CB-CG1 4.25Å; A88-L248 HydrophobicContact CB-CD2 3.53Å
89G95.5Very high91.9Very high0 Ų055.8 Ų55.80%027%0.267CS..G310 helixtrans-64.6-33.5173.200000112.7C91 F92 W100 N144 G145G89-C91 PolarHBondContact O-N 2.94Å; G89-F92 PolarHBondContact O-N 3.06Å; G89-W100 WeakPolarHBondContact O-CZ3 3.48Å; G89-N144 WeakPolarHBondContact CA-O 3.5Å; G89-G145 PolarHBondContact N-O 3.01Å
90S94.1Very high92.3Very high14 Ų1454 Ų5410%0.09826%0.261CS..G310 helixtrans-55.7-23.2178.4-600000113.2A88 F92 R93 N141 N144A88-S90 VanDerWaalsContact C-N 3.27Å; A88-S90 PolarHBondContact O-N 2.87Å; S90-F92 PolarHBondContact O-N 2.96Å; S90-R93 PolarHBondContact O-N 3.2Å; S90-N141 PolarHBondContact OG-O 2Å; S90-N144 VanDerWaalsContact OG-CB 3.3Å; S90-N144 WeakPolarHBondContact OG-CB 3.34Å; S90-N144 PolarHBondContact OG-ND2 2.9Å
91C94.8Very high92.4Very high4 Ų449.1 Ų49.13%0.02724%0.236CC..G310 helixtrans-58.6-28.4174.8-54.90000113.6C64 T87 A88 G89 Y106C64-C91 HydrophobicContact CB-CB 3.75Å; C64-C91 WeakPolarHBondContact CB-SG 3.08Å; C64-C91 WeakPolarHBondContact SG-CA 3.49Å; C64-C91 WeakPolarHBondContact SG-CB 3.09Å; C64-C91 CovalentContact SG-SG 2Å; C64-C91 PolarHBondContact SG-SG 2.82Å; T87-C91 PolarHBondContact OG1-SG 2.88Å; A88-C91 VanDerWaalsContact O-CB 3.27Å; A88-C91 WeakPolarHBondContact O-CB 3.37Å; A88-C91 PolarHBondContact O-N 3.45Å; A88-C91 PolarHBondContact O-SG 3.47Å; G89-C91 PolarHBondContact O-N 2.94Å; C91-Y106 WeakPolarHBondContact O-CE1 3.3Å
92F95.1Very high92.4Very high0 Ų051.8 Ų51.80%025%0.252CS..G310 helixtrans-108.84.1-173.5-50.6-65.7000113.3I55 T87 G89 S90 W100 G101 Y106 I130 I132 A147 V149 L287I55-F92 HydrophobicContact CD1-CZ 4.01Å; I55-F92 HydrophobicContact CG2-CE1 4.29Å; T87-F92 HydrophobicContact CG2-CE2 3.61Å; T87-F92 HydrophobicContact CG2-CZ 3.86Å; G89-F92 PolarHBondContact O-N 3.06Å; S90-F92 PolarHBondContact O-N 2.96Å; F92-W100 HydrophobicContact CB-CE3 4.31Å; F92-W100 WeakPolarHBondContact O-CA 3.09Å; F92-G101 PolarHBondContact O-N 2.88Å; F92-Y106 WeakPolarHBondContact CA-OH 3.28Å; F92-Y106 HydrophobicContact CB-CE2 4.44Å; F92-Y106 AromaticContact CD1-CD1 3.97Å; F92-Y106 HydrophobicContact CD1-CD1 3.97Å; F92-Y106 AromaticContact CD1-CD2 3.78Å; F92-Y106 HydrophobicContact CD1-CD2 3.78Å; F92-Y106 AromaticContact CD1-CE1 3.91Å; F92-Y106 HydrophobicContact CD1-CE1 3.91Å; F92-Y106 AromaticContact CD1-CE2 3.74Å; F92-Y106 HydrophobicContact CD1-CE2 3.74Å; F92-Y106 AromaticContact CD1-CG 3.91Å; F92-Y106 HydrophobicContact CD1-CG 3.91Å; F92-Y106 AromaticContact CD1-CZ 3.81Å; F92-Y106 HydrophobicContact CE1-CD1 4.2Å; F92-Y106 HydrophobicContact CE1-CD2 4.23Å; F92-Y106 HydrophobicContact CE1-CG 4.03Å; F92-Y106 PolarHBondContact O-OH 3.24Å; F92-I130 HydrophobicContact CB-CD1 4.49Å; F92-I130 HydrophobicContact CD1-CD1 3.52Å; F92-I130 HydrophobicContact CD2-CD1 4.26Å; F92-I130 HydrophobicContact CD2-CG2 3.66Å; F92-I130 HydrophobicContact CE1-CD1 3.69Å; F92-I130 HydrophobicContact CE2-CD1 4.4Å; F92-I130 HydrophobicContact CE2-CG2 3.72Å; F92-I130 HydrophobicContact CG-CD1 3.81Å; F92-I130 HydrophobicContact CG-CG2 4.24Å; F92-I130 HydrophobicContact CZ-CD1 4.14Å; F92-I130 HydrophobicContact CZ-CG2 4.36Å; F92-I132 HydrophobicContact CB-CD1 4.36Å; F92-I132 HydrophobicContact CD2-CD1 4.27Å; F92-A147 HydrophobicContact CD2-CB 4.07Å; F92-A147 HydrophobicContact CE2-CB 3.75Å; F92-V149 HydrophobicContact CE1-CG2 4.45Å; F92-V149 HydrophobicContact CE2-CG2 3.83Å; F92-V149 HydrophobicContact CZ-CG2 3.44Å; F92-V149 VanDerWaalsContact CZ-CG2 3.44Å; F92-L287 HydrophobicContact CB-CD1 4.22Å
93R92.3Very high92.4Very high45 Ų4552.3 Ų52.317%0.1726%0.255CS..EExtended strand (participates in β ladder)trans-104.4131.3176.6-162.8169.3-177-165.70.1110.6S90 A95 K98 W100 N144S90-R93 PolarHBondContact O-N 3.2Å; R93-A95 PolarHBondContact O-N 2.85Å; R93-K98 PolarHBondContact NE-O 2.86Å; R93-W100 HydrophobicContact CB-CE3 4.01Å; R93-W100 HydrophobicContact CB-CH2 4.38Å; R93-W100 HydrophobicContact CB-CZ3 3.83Å; R93-W100 HydrophobicContact CG-CE3 4.43Å; R93-W100 HydrophobicContact CG-CZ3 4.44Å; R93-N144 WeakPolarHBondContact CD-OD1 3.3Å; R93-N144 PolarHBondContact NH1-OD1 3.22Å
94H86.4Confident92.3Very high75 Ų7553.7 Ų53.735%0.34727%0.273SS..EExtended strand (participates in β ladder)trans-78.6106.4171.2-69.3-84.3000109.2L96 K97 K98 R99H94-L96 PolarHBondContact O-N 3.47Å; H94-K97 HydrophobicContact CB-CB 4.1Å; H94-K97 PolarHBondContact O-N 2.84Å; H94-K98 WeakPolarHBondContact O-CA 3.33Å; H94-K98 PolarHBondContact O-N 3.33Å; H94-R99 PolarHBondContact CD2-O 2.85Å; H94-R99 PolarHBondContact N-O 3.14Å
95A77.3Confident92.2Very high80 Ų8053.6 Ų53.666%0.66128%0.275SS*.THydrogen-bonded Turntrans-47.5-53.5-178.400000113R93 K97R93-A95 PolarHBondContact O-N 2.85Å; A95-K97 PolarHBondContact O-N 2.83Å
96L82.3Confident92Very high175 Ų17554.1 Ų54.192%0.91628%0.277SS*.THydrogen-bonded Turntrans-67.4-38-177.8-64.1175.5000114.1H94H94-L96 PolarHBondContact O-N 3.47Å
97K84.4Confident91.9Very high152 Ų15257.9 Ų57.966%0.66129%0.293SS*.THydrogen-bonded Turntrans-91.3-7.6-175.2-64.4-173.9179.2-175.80112.8H94 A95 R99H94-K97 HydrophobicContact CB-CB 4.1Å; H94-K97 PolarHBondContact O-N 2.84Å; A95-K97 PolarHBondContact O-N 2.83Å; K97-R99 HydrophobicContact CB-CB 4.36Å; K97-R99 WeakPolarHBondContact O-CG 3.46Å; K97-R99 PolarHBondContact O-N 2.98Å
98K85.3Confident91.9Very high118 Ų11857.9 Ų57.951%0.51329%0.293SS..THydrogen-bonded Turntrans47.524.4-170.7-58.9-166-177.6-160.20114.7R93 H94 E140R93-K98 PolarHBondContact NE-O 2.86Å; H94-K98 WeakPolarHBondContact O-CA 3.33Å; H94-K98 PolarHBondContact O-N 3.33Å; K98-E140 WeakPolarHBondContact CE-OE1 3.47Å; K98-E140 IonicContact NZ-OE1 2.85Å; K98-E140 PolarHBondContact NZ-OE1 2.86Å
99R90.9Very high91.8Very high183 Ų18358.3 Ų58.369%0.69130%0.295SS*.EExtended strand (participates in β ladder)trans-109.1149.1-176.5-76.7173.6-170.4-177.32.9111.6H94 K97H94-R99 PolarHBondContact CD2-O 2.85Å; H94-R99 PolarHBondContact N-O 3.14Å; K97-R99 HydrophobicContact CB-CB 4.36Å; K97-R99 WeakPolarHBondContact O-CG 3.46Å; K97-R99 PolarHBondContact O-N 2.98Å
100W92.8Very high91.9Very high69 Ų6958.4 Ų58.426%0.26130%0.295SS..EExtended strand (participates in β ladder)trans-74.5139.5170.8-60106.8000111G89 F92 R93 I132 W143 N144 I285 L287G89-W100 WeakPolarHBondContact O-CZ3 3.48Å; F92-W100 HydrophobicContact CB-CE3 4.31Å; F92-W100 WeakPolarHBondContact O-CA 3.09Å; R93-W100 HydrophobicContact CB-CE3 4.01Å; R93-W100 HydrophobicContact CB-CH2 4.38Å; R93-W100 HydrophobicContact CB-CZ3 3.83Å; R93-W100 HydrophobicContact CG-CE3 4.43Å; R93-W100 HydrophobicContact CG-CZ3 4.44Å; W100-I132 HydrophobicContact CE3-CD1 3.65Å; W100-I132 HydrophobicContact CH2-CD1 3.82Å; W100-I132 HydrophobicContact CH2-CG2 4.28Å; W100-I132 HydrophobicContact CZ3-CD1 3.24Å; W100-W143 HydrophobicContact CZ2-CH2 4.45Å; W100-W143 AromaticContact CZ2-CZ3 3.93Å; W100-W143 HydrophobicContact CZ2-CZ3 3.93Å; W100-N144 HydrophobicContact CH2-CB 4.16Å; W100-I285 HydrophobicContact CD2-CG2 4.34Å; W100-I285 HydrophobicContact CH2-CD1 4.18Å; W100-I285 HydrophobicContact CZ2-CD1 3.31Å; W100-I285 HydrophobicContact CZ2-CG2 4.42Å; W100-L287 HydrophobicContact CB-CD1 4.11Å; W100-L287 HydrophobicContact CB-CD2 3.68Å; W100-L287 HydrophobicContact CE3-CD1 4.2Å; W100-L287 HydrophobicContact CG-CD2 4.03Å
101G93.2Very high91.9Very high6 Ų658.5 Ų58.56%0.06230%0.299CS..PPolyproline II helixtrans-79.1165.1168.900000111.7F92F92-G101 PolarHBondContact O-N 2.88Å
102T94.6Very high91.7Very high73 Ų7359 Ų5945%0.44830%0.301SS..PPolyproline II helixtrans-83.9151171.561.50000110.5S104 S105 Y106T102-S104 PolarHBondContact O-N 2.87Å; T102-S104 VanDerWaalsContact O-N 3.14Å; T102-S104 PolarHBondContact OG1-OG 2.85Å; T102-S104 VanDerWaalsContact OG1-OG 3.06Å; T102-S105 VanDerWaalsContact O-CB 3.23Å; T102-S105 WeakPolarHBondContact O-CB 3.47Å; T102-S105 PolarHBondContact O-N 3.36Å; T102-S105 PolarHBondContact OG1-OG 3.19Å; T102-Y106 WeakPolarHBondContact O-CD2 3.32Å; T102-Y106 VanDerWaalsContact O-CE2 3.26Å; T102-Y106 WeakPolarHBondContact O-CE2 2.99Å
103P96Very high91.3Very high11 Ų1161.8 Ų61.87%0.07132%0.316CS..G310 helixtrans-53.6-36.3177.1-3037.6000113.9S105 Y106 P127 I130 L287P103-S105 PolarHBondContact O-N 2.85Å; P103-Y106 PolarHBondContact O-N 3.25Å; P103-P127 HydrophobicContact CB-CB 3.84Å; P103-P127 WeakPolarHBondContact CB-O 3.42Å; P103-I130 HydrophobicContact CB-CD1 4.26Å; P103-I130 HydrophobicContact CB-CG1 4.5Å; P103-I130 HydrophobicContact CG-CD1 4.19Å; P103-I130 HydrophobicContact CG-CG1 4.36Å; P103-L287 HydrophobicContact CG-CB 4.1Å; P103-L287 WeakPolarHBondContact CG-O 3.02Å
104S94.8Very high91.1Very high90 Ų9065.2 Ų65.263%0.62933%0.329SS*.G310 helixtrans-66.1-12.4176.356.20000114.7T102 Y106T102-S104 PolarHBondContact O-N 2.87Å; T102-S104 VanDerWaalsContact O-N 3.14Å; T102-S104 PolarHBondContact OG1-OG 2.85Å; T102-S104 VanDerWaalsContact OG1-OG 3.06Å; S104-Y106 PolarHBondContact O-N 3.28Å
105S94.4Very high91Very high30 Ų3061.9 Ų61.921%0.2131%0.314CS..G310 helixtrans-81.70.1176.9-61.70000113.3G57 K58 T102 P103G57-S105 CarbonylContact C-O 3.54Å; G57-S105 WeakPolarHBondContact CA-O 3.25Å; K58-S105 PolarHBondContact N-O 3.49Å; T102-S105 VanDerWaalsContact O-CB 3.23Å; T102-S105 WeakPolarHBondContact O-CB 3.47Å; T102-S105 PolarHBondContact O-N 3.36Å; T102-S105 PolarHBondContact OG1-OG 3.19Å; P103-S105 PolarHBondContact O-N 2.85Å
106Y96.1Very high91.2Very high11 Ų1164.2 Ų64.24%0.04331%0.306CS..EExtended strand (participates in β ladder)trans-131.2155.2-173.3-55.1-85.6000112I55 R56 C91 F92 T102 P103 S104 P127I55-Y106 HydrophobicContact CG2-CD1 4.31Å; R56-Y106 CarbonylContact O-C 3.46Å; R56-Y106 VanDerWaalsContact O-CA 3.28Å; R56-Y106 WeakPolarHBondContact O-CA 3.49Å; C91-Y106 WeakPolarHBondContact O-CE1 3.3Å; F92-Y106 WeakPolarHBondContact CA-OH 3.28Å; F92-Y106 HydrophobicContact CB-CE2 4.44Å; F92-Y106 AromaticContact CD1-CD1 3.97Å; F92-Y106 HydrophobicContact CD1-CD1 3.97Å; F92-Y106 AromaticContact CD1-CD2 3.78Å; F92-Y106 HydrophobicContact CD1-CD2 3.78Å; F92-Y106 AromaticContact CD1-CE1 3.91Å; F92-Y106 HydrophobicContact CD1-CE1 3.91Å; F92-Y106 AromaticContact CD1-CE2 3.74Å; F92-Y106 HydrophobicContact CD1-CE2 3.74Å; F92-Y106 AromaticContact CD1-CG 3.91Å; F92-Y106 HydrophobicContact CD1-CG 3.91Å; F92-Y106 AromaticContact CD1-CZ 3.81Å; F92-Y106 HydrophobicContact CE1-CD1 4.2Å; F92-Y106 HydrophobicContact CE1-CD2 4.23Å; F92-Y106 HydrophobicContact CE1-CG 4.03Å; F92-Y106 PolarHBondContact O-OH 3.24Å; T102-Y106 WeakPolarHBondContact O-CD2 3.32Å; T102-Y106 VanDerWaalsContact O-CE2 3.26Å; T102-Y106 WeakPolarHBondContact O-CE2 2.99Å; P103-Y106 PolarHBondContact O-N 3.25Å; S104-Y106 PolarHBondContact O-N 3.28Å; Y106-P127 VanDerWaalsContact O-CD 3.23Å; Y106-P127 WeakPolarHBondContact O-CD 3.34Å
107K95.7Very high90.8Very high79 Ų7959.4 Ų59.434%0.34329%0.285SS..EExtended strand (participates in β ladder)trans-138.6134173.3-168.4162.6175.2170.10109.6R56 F109 S124R56-K107 PolarHBondContact N-O 2.92Å; R56-K107 PolarHBondContact O-N 3.24Å; K107-F109 HydrophobicContact CB-CE2 3.82Å; K107-F109 HydrophobicContact CB-CZ 4.01Å; K107-F109 HydrophobicContact CD-CE1 3.96Å; K107-F109 HydrophobicContact CD-CE2 4.19Å; K107-F109 HydrophobicContact CD-CZ 3.5Å; K107-F109 VanDerWaalsContact CD-CZ 3.5Å; K107-F109 HydrophobicContact CG-CD2 4.45Å; K107-F109 HydrophobicContact CG-CE1 4.04Å; K107-F109 HydrophobicContact CG-CE2 3.71Å; K107-F109 HydrophobicContact CG-CZ 3.51Å; K107-S124 WeakPolarHBondContact CE-OG 3.38Å; K107-S124 PolarHBondContact NZ-OG 2.75Å
108V96.9Very high90.1Very high0 Ų061 Ų610%029%0.292CS..EExtended strand (participates in β ladder)trans-103138.9179.4-173.10000108.7V53 A54 I55 I85 S124 G125 P127 L151 F155V53-V108 HydrophobicContact CB-CG1 3.81Å; V53-V108 HydrophobicContact CG1-CG1 4.31Å; V53-V108 HydrophobicContact CG2-CG1 3.72Å; A54-V108 CarbonylContact O-C 3.55Å; A54-V108 WeakPolarHBondContact O-CA 3.37Å; I55-V108 HydrophobicContact CG1-CG2 4.32Å; I85-V108 HydrophobicContact CD1-CG1 4.37Å; I85-V108 HydrophobicContact CG1-CG1 4.22Å; V108-S124 CarbonylContact O-C 3.51Å; V108-S124 VanDerWaalsContact O-CA 3.31Å; V108-S124 WeakPolarHBondContact O-CA 3.14Å; V108-G125 PolarHBondContact N-O 2.76Å; V108-G125 PolarHBondContact O-N 2.88Å; V108-P127 HydrophobicContact CG2-CG 4.21Å; V108-L151 HydrophobicContact CB-CD2 4.04Å; V108-L151 HydrophobicContact CG2-CD2 3.8Å; V108-F155 HydrophobicContact CB-CZ 4.3Å; V108-F155 HydrophobicContact CG1-CE2 3.98Å; V108-F155 HydrophobicContact CG1-CZ 4.09Å
109F95.8Very high89.1Confident10 Ų1063.1 Ų63.14%0.04430%0.302CS..EExtended strand (participates in β ladder)trans-129.6138-179.5-58.6-88.8000111.1V53 A54 R56 K107 L112 I120 Q123V53-F109 CarbonylContact C-O 3.53Å; V53-F109 WeakPolarHBondContact CA-O 3.44Å; V53-F109 VanDerWaalsContact CB-O 3.22Å; V53-F109 WeakPolarHBondContact CB-O 3.04Å; A54-F109 PolarHBondContact N-O 3.35Å; A54-F109 PolarHBondContact O-N 3.23Å; R56-F109 HydrophobicContact CB-CE2 4Å; R56-F109 HydrophobicContact CG-CD2 4.2Å; R56-F109 HydrophobicContact CG-CE2 3.83Å; K107-F109 HydrophobicContact CB-CE2 3.82Å; K107-F109 HydrophobicContact CB-CZ 4.01Å; K107-F109 HydrophobicContact CD-CE1 3.96Å; K107-F109 HydrophobicContact CD-CE2 4.19Å; K107-F109 HydrophobicContact CD-CZ 3.5Å; K107-F109 VanDerWaalsContact CD-CZ 3.5Å; K107-F109 HydrophobicContact CG-CD2 4.45Å; K107-F109 HydrophobicContact CG-CE1 4.04Å; K107-F109 HydrophobicContact CG-CE2 3.71Å; K107-F109 HydrophobicContact CG-CZ 3.51Å; F109-L112 HydrophobicContact CB-CD2 3.31Å; F109-L112 HydrophobicContact CG-CD2 4.35Å; F109-I120 HydrophobicContact CD1-CB 4.5Å; F109-I120 HydrophobicContact CD1-CD1 3.8Å; F109-I120 HydrophobicContact CD1-CG2 3.63Å; F109-I120 HydrophobicContact CE1-CB 4.48Å; F109-I120 HydrophobicContact CE1-CD1 3.17Å; F109-I120 HydrophobicContact CE1-CG1 4.37Å; F109-I120 HydrophobicContact CE1-CG2 4.08Å; F109-I120 HydrophobicContact CE2-CD1 4.39Å; F109-I120 HydrophobicContact CG-CG2 4.39Å; F109-I120 HydrophobicContact CZ-CD1 3.51Å; F109-Q123 VanDerWaalsContact CA-O 3.31Å; F109-Q123 WeakPolarHBondContact CA-O 3.35Å
110A96.1Very high88Confident1 Ų157.3 Ų57.31%0.00828%0.283CS..EExtended strand (participates in β ladder)trans-132.6158-17800000111V53 I68 G122 Q123 F155 V161V53-A110 HydrophobicContact CG1-CB 3.84Å; I68-A110 HydrophobicContact CD1-CB 3.94Å; A110-G122 CarbonylContact O-C 3.42Å; A110-G122 VanDerWaalsContact O-CA 3.3Å; A110-G122 WeakPolarHBondContact O-CA 3.28Å; A110-Q123 PolarHBondContact N-O 3.19Å; A110-Q123 PolarHBondContact O-N 3.25Å; A110-F155 HydrophobicContact CB-CD2 3.84Å; A110-F155 HydrophobicContact CB-CE1 4.43Å; A110-F155 HydrophobicContact CB-CE2 3.66Å; A110-F155 HydrophobicContact CB-CG 4.31Å; A110-F155 HydrophobicContact CB-CZ 3.98Å; A110-V161 HydrophobicContact CB-CG1 4.24Å; A110-V161 HydrophobicContact CB-CG2 4.12Å
111G94.1Very high87.3Confident17 Ų1761.3 Ų61.318%0.17531%0.305CS..SBendtrans69.441.2175.400000113.5G122 E160G111-G122 WeakPolarHBondContact O-CA 3.37Å; G111-E160 WeakPolarHBondContact CA-O 3.11Å
112L90.5Very high87.1Confident13 Ų1363.4 Ų63.47%0.06833%0.327CS..  trans-141.1143.7-179.268.8103.9000111.1F109 R114 L115 I120 Q121 L189F109-L112 HydrophobicContact CB-CD2 3.31Å; F109-L112 HydrophobicContact CG-CD2 4.35Å; L112-R114 WeakPolarHBondContact CD1-O 3.32Å; L112-L115 HydrophobicContact CD1-CD2 3.52Å; L112-L115 HydrophobicContact CD1-CG 3.92Å; L112-L115 HydrophobicContact CD2-CD2 4.26Å; L112-I120 HydrophobicContact CD2-CG2 4.06Å; L112-Q121 VanDerWaalsContact CB-O 3.31Å; L112-Q121 WeakPolarHBondContact CB-O 3.27Å; L112-L189 HydrophobicContact CD1-CD1 3.77Å
113D87.2Confident87.1Confident59 Ų5962 Ų6232%0.31632%0.315SS..SBendtrans-90.2-32.1176.670.7-31.2000112.4V48 R188 L189V48-D113 HydrophobicContact CG2-CB 4.16Å; D113-R188 WeakPolarHBondContact O-CA 3.36Å; D113-L189 PolarHBondContact O-N 3.07Å
114R87.5Confident87.1Confident117 Ų11764.5 Ų64.544%0.44233%0.333SS..BIsolated β-bridgetrans-133.2133.2-174.9-66.2179.9-169.3-165.40.1113.1L112 R116 R187 R188L112-R114 WeakPolarHBondContact CD1-O 3.32Å; R114-R116 HydrophobicContact CB-CG 4.32Å; R114-R116 PolarHBondContact O-N 2.83Å; R114-R187 CarbonylContact C-O 3.52Å; R114-R187 WeakPolarHBondContact CA-O 3.43Å; R114-R188 HydrophobicContact CG-CB 4.47Å; R114-R188 HydrophobicContact CG-CG 4.32Å
115L84.7Confident87.1Confident6 Ų660.3 Ų60.33%0.03130%0.304CS..  trans-81.684.6171.3-73.9179.9000110.8A54 F62 L112 Y184 R187 L189A54-L115 HydrophobicContact CB-CD1 3.61Å; A54-L115 HydrophobicContact CB-CD2 3.71Å; A54-L115 HydrophobicContact CB-CG 4.07Å; F62-L115 HydrophobicContact CB-CD1 4.4Å; F62-L115 HydrophobicContact CD2-CD1 3.52Å; F62-L115 HydrophobicContact CE2-CD1 4.25Å; F62-L115 HydrophobicContact CG-CD1 4.36Å; L112-L115 HydrophobicContact CD1-CD2 3.52Å; L112-L115 HydrophobicContact CD1-CG 3.92Å; L112-L115 HydrophobicContact CD2-CD2 4.26Å; L115-Y184 HydrophobicContact CB-CE2 4.09Å; L115-Y184 HydrophobicContact CD1-CD2 4.22Å; L115-Y184 HydrophobicContact CD1-CE2 3.51Å; L115-Y184 HydrophobicContact CG-CE2 4.07Å; L115-R187 PolarHBondContact N-O 3.26Å; L115-L189 HydrophobicContact CD1-CD1 4.41Å; L115-L189 HydrophobicContact CG-CD1 3.99Å
116R82Confident87.2Confident129 Ų12963.9 Ų63.949%0.48732%0.317SS..  trans-82.6149.2172.7-48.8-177.5-173.8-163.72.1111.3R56 R114 F119R56-R116 PolarHBondContact NH1-O 2.89Å; R56-R116 PolarHBondContact NH2-O 2.96Å; R114-R116 HydrophobicContact CB-CG 4.32Å; R114-R116 PolarHBondContact O-N 2.83Å; R116-F119 WeakPolarHBondContact CB-O 3.47Å
117P74.7Confident87.3Confident74 Ų7463.3 Ų63.348%0.48132%0.315SS..SBendtrans-68.3-38.3-179.7-22.133.6000114.1
118F69.1Low87.4Confident185 Ų18565.3 Ų65.381%0.81132%0.324SS*.SBendtrans-110.7-20.2-167.3-56.7-70.2000114.9
119F63.1Low87.4Confident163 Ų16365.3 Ų65.372%0.71532%0.324SS*.  trans-132.5115.4-178.6-72.5-80.3000110R116R116-F119 WeakPolarHBondContact CB-O 3.47Å
120I67.9Low87.4Confident60 Ų6064.8 Ų64.831%0.30832%0.322SS..  trans-115.3100.5176.4-53.2175.5000106.6F109 L112F109-I120 HydrophobicContact CD1-CB 4.5Å; F109-I120 HydrophobicContact CD1-CD1 3.8Å; F109-I120 HydrophobicContact CD1-CG2 3.63Å; F109-I120 HydrophobicContact CE1-CB 4.48Å; F109-I120 HydrophobicContact CE1-CD1 3.17Å; F109-I120 HydrophobicContact CE1-CG1 4.37Å; F109-I120 HydrophobicContact CE1-CG2 4.08Å; F109-I120 HydrophobicContact CE2-CD1 4.39Å; F109-I120 HydrophobicContact CG-CG2 4.39Å; F109-I120 HydrophobicContact CZ-CD1 3.51Å; L112-I120 HydrophobicContact CD2-CG2 4.06Å
121Q78.2Confident87.4Confident153 Ų15367.7 Ų67.772%0.71533%0.332SS*.  trans-69.2145.7160.8-73.9176.1-24.400107.9L112L112-Q121 VanDerWaalsContact CB-O 3.31Å; L112-Q121 WeakPolarHBondContact CB-O 3.27Å
122G89.8Confident87.4Confident50 Ų5066.9 Ų66.952%0.51532%0.324SS..SBendtrans106.5-166.8-176.500000113.7A110 G111A110-G122 CarbonylContact O-C 3.42Å; A110-G122 VanDerWaalsContact O-CA 3.3Å; A110-G122 WeakPolarHBondContact O-CA 3.28Å; G111-G122 WeakPolarHBondContact O-CA 3.37Å
123Q94.9Very high87.4Confident44 Ų4467.1 Ų67.121%0.20633%0.325CS..EExtended strand (participates in β ladder)trans-101.9151.1-177.3-63.8-178.253.700110.9F109 A110 F155 V156F109-Q123 VanDerWaalsContact CA-O 3.31Å; F109-Q123 WeakPolarHBondContact CA-O 3.35Å; A110-Q123 PolarHBondContact N-O 3.19Å; A110-Q123 PolarHBondContact O-N 3.25Å; Q123-F155 HydrophobicContact CB-CD1 3.57Å; Q123-F155 HydrophobicContact CB-CE1 3.76Å; Q123-F155 HydrophobicContact CB-CG 4.46Å; Q123-F155 VanDerWaalsContact OE1-CA 3.31Å; Q123-V156 PolarHBondContact NE2-O 3.07Å
124S95.1Very high87.6Confident63 Ų6365.8 Ų65.844%0.44132%0.32SS..EExtended strand (participates in β ladder)trans-132.3139.6175.3810000112.1K107 V108K107-S124 WeakPolarHBondContact CE-OG 3.38Å; K107-S124 PolarHBondContact NZ-OG 2.75Å; V108-S124 CarbonylContact O-C 3.51Å; V108-S124 VanDerWaalsContact O-CA 3.31Å; V108-S124 WeakPolarHBondContact O-CA 3.14Å
125G95.8Very high87.5Confident3 Ų360.9 Ų60.93%0.03130%0.301CS..EExtended strand (participates in β ladder)trans-134.9139-173.900000111.3V108V108-G125 PolarHBondContact N-O 2.76Å; V108-G125 PolarHBondContact O-N 2.88Å
126E96.6Very high87Confident104 Ų10468 Ų6849%0.48634%0.34SS..  trans-96.4129.3173.8-70.3178.2-167.900109.9K128 L151 R152E126-K128 PolarHBondContact O-N 3.35Å; E126-L151 CarbonylContact O-C 3.43Å; E126-L151 WeakPolarHBondContact O-CA 3.15Å; E126-R152 HydrophobicContact CB-CG 4.47Å; E126-R152 PolarHBondContact O-N 3.01Å; E126-R152 IonicContact OE2-NE 2.75Å
127P97.5Very high86.7Confident0 Ų062.4 Ų62.40%032%0.319CS..EExtended strand (participates in β ladder)trans-58126170.4-28.139.3000111.7P103 Y106 V108 I130 V149P103-P127 HydrophobicContact CB-CB 3.84Å; P103-P127 WeakPolarHBondContact CB-O 3.42Å; Y106-P127 VanDerWaalsContact O-CD 3.23Å; Y106-P127 WeakPolarHBondContact O-CD 3.34Å; V108-P127 HydrophobicContact CG2-CG 4.21Å; P127-I130 HydrophobicContact CB-CD1 4.48Å; P127-I130 HydrophobicContact CB-CG1 4.32Å; P127-V149 HydrophobicContact CB-CG1 3.7Å; P127-V149 HydrophobicContact CG-CG1 3.81Å
128K97.3Very high86.3Confident120 Ų12065.2 Ų65.252%0.52234%0.335SS..EExtended strand (participates in β ladder)trans-80.9-46.2165.4-177.4-179.8174.1-178.30109.9E126 T150 R152E126-K128 PolarHBondContact O-N 3.35Å; K128-T150 WeakPolarHBondContact CA-O 3.46Å; K128-T150 WeakPolarHBondContact CB-O 3.4Å; K128-T150 PolarHBondContact N-O 2.8Å; K128-R152 HydrophobicContact CB-CG 3.74Å; K128-R152 HydrophobicContact CG-CG 4.42Å
129G96.9Very high86.4Confident0 Ų058.1 Ų58.10%031%0.306CS..EExtended strand (participates in β ladder)trans-153.3158.5179.600000111.6T150 L287G129-T150 PolarHBondContact N-O 3.13Å; G129-T150 PolarHBondContact O-N 3.31Å; G129-L287 CarbonylContact C-O 3.54Å; G129-L287 WeakPolarHBondContact CA-O 3.4Å
130I96.6Very high86.8Confident0 Ų054.7 Ų54.70%029%0.292CS..EExtended strand (participates in β ladder)trans-133.6127-178.7-54.9161.6000107.4F92 P103 P127 I132 A147 V149 L287F92-I130 HydrophobicContact CB-CD1 4.49Å; F92-I130 HydrophobicContact CD1-CD1 3.52Å; F92-I130 HydrophobicContact CD2-CD1 4.26Å; F92-I130 HydrophobicContact CD2-CG2 3.66Å; F92-I130 HydrophobicContact CE1-CD1 3.69Å; F92-I130 HydrophobicContact CE2-CD1 4.4Å; F92-I130 HydrophobicContact CE2-CG2 3.72Å; F92-I130 HydrophobicContact CG-CD1 3.81Å; F92-I130 HydrophobicContact CG-CG2 4.24Å; F92-I130 HydrophobicContact CZ-CD1 4.14Å; F92-I130 HydrophobicContact CZ-CG2 4.36Å; P103-I130 HydrophobicContact CB-CD1 4.26Å; P103-I130 HydrophobicContact CB-CG1 4.5Å; P103-I130 HydrophobicContact CG-CD1 4.19Å; P103-I130 HydrophobicContact CG-CG1 4.36Å; P127-I130 HydrophobicContact CB-CD1 4.48Å; P127-I130 HydrophobicContact CB-CG1 4.32Å; I130-I132 HydrophobicContact CG2-CD1 4.1Å; I130-I132 HydrophobicContact CG2-CG1 3.77Å; I130-A147 HydrophobicContact CG2-CB 4.16Å; I130-V149 HydrophobicContact CG1-CG1 4.21Å; I130-V149 HydrophobicContact CG1-CG2 4.34Å; I130-V149 HydrophobicContact CG2-CG2 4.38Å; I130-L287 HydrophobicContact CB-CB 4.17Å; I130-L287 HydrophobicContact CB-CD1 4.3Å; I130-L287 HydrophobicContact CD1-CD1 4.31Å; I130-L287 PolarHBondContact N-O 2.83Å; I130-L287 PolarHBondContact O-N 2.86Å
131R94.8Very high86.9Confident61 Ų6155.7 Ų55.723%0.2330%0.298CS..EExtended strand (participates in β ladder)trans-112.9124.3175.2175.3173.5173.3175.9-6.6108.7A147 L148 D275 F284R131-A147 CarbonylContact O-C 3.39Å; R131-A147 VanDerWaalsContact O-CA 3.31Å; R131-A147 WeakPolarHBondContact O-CA 3.44Å; R131-L148 PolarHBondContact N-O 2.65Å; R131-L148 PolarHBondContact O-N 2.86Å; R131-D275 PolarHBondContact NH2-O 2.93Å; R131-F284 HydrophobicContact CG-CB 4.12Å; R131-F284 HydrophobicContact CG-CD1 3.4Å; R131-F284 HydrophobicContact CG-CE1 4.04Å; R131-F284 HydrophobicContact CG-CG 3.93Å; R131-F284 VanDerWaalsContact NE-CG 3.3Å
132I94.3Very high87Confident0 Ų048.4 Ų48.40%026%0.264CS..EExtended strand (participates in β ladder)trans-121.1129.5-173.8-50.3179.5000108.6F92 W100 I130 P134 N144 I146 A147 F284 I285 L287F92-I132 HydrophobicContact CB-CD1 4.36Å; F92-I132 HydrophobicContact CD2-CD1 4.27Å; W100-I132 HydrophobicContact CE3-CD1 3.65Å; W100-I132 HydrophobicContact CH2-CD1 3.82Å; W100-I132 HydrophobicContact CH2-CG2 4.28Å; W100-I132 HydrophobicContact CZ3-CD1 3.24Å; I130-I132 HydrophobicContact CG2-CD1 4.1Å; I130-I132 HydrophobicContact CG2-CG1 3.77Å; I132-P134 WeakPolarHBondContact O-CD 3.47Å; I132-N144 WeakPolarHBondContact CG2-O 2.96Å; I132-I146 WeakPolarHBondContact CA-O 3.44Å; I132-A147 HydrophobicContact CG1-CB 3.91Å; I132-F284 CarbonylContact O-C 3.56Å; I132-F284 VanDerWaalsContact O-CA 3.28Å; I132-F284 WeakPolarHBondContact O-CA 3.18Å; I132-I285 HydrophobicContact CB-CB 4.21Å; I132-I285 PolarHBondContact N-O 3.32Å; I132-I285 PolarHBondContact O-N 2.96Å; I132-L287 HydrophobicContact CD1-CD1 3.96Å
133M91.9Very high86.8Confident18 Ų1849.9 Ų49.99%0.08925%0.254CS..EExtended strand (participates in β ladder)trans-103104.2169.517951.270.200108.7G145 I146 T272 V273 N280 F284M133-G145 WeakPolarHBondContact O-CA 3.46Å; M133-I146 PolarHBondContact N-O 3.26Å; M133-I146 PolarHBondContact O-N 3.2Å; M133-I146 VanDerWaalsContact O-N 3.16Å; M133-T272 HydrophobicContact CB-CG2 4.09Å; M133-T272 HydrophobicContact CG-CG2 3.38Å; M133-V273 HydrophobicContact CB-CB 4.42Å; M133-V273 HydrophobicContact CB-CG2 4.37Å; M133-N280 HydrophobicContact CE-CB 4.06Å; M133-F284 HydrophobicContact CB-CD1 3.93Å; M133-F284 HydrophobicContact CB-CE1 3.68Å; M133-F284 HydrophobicContact CB-CZ 4.47Å; M133-F284 HydrophobicContact CE-CD1 3.63Å; M133-F284 HydrophobicContact CE-CD2 3.52Å; M133-F284 HydrophobicContact CE-CE1 3.39Å; M133-F284 HydrophobicContact CE-CE2 3.19Å; M133-F284 HydrophobicContact CE-CG 3.72Å; M133-F284 HydrophobicContact CE-CZ 3.13Å; M133-F284 HydrophobicContact CG-CE1 4.35Å
134P89.7Confident86.5Confident32 Ų3248 Ų4821%0.20825%0.245CC..  trans-71.4154.6176.531.5-33.7000111.6I132 W143 G283 I285I132-P134 WeakPolarHBondContact O-CD 3.47Å; P134-W143 CarbonylContact C-O 3.54Å; P134-W143 WeakPolarHBondContact CA-O 3.4Å; P134-W143 WeakPolarHBondContact CB-O 3.29Å; P134-G283 WeakPolarHBondContact CD-O 3.07Å; P134-G283 WeakPolarHBondContact CG-O 3.18Å; P134-I285 HydrophobicContact CG-CD1 4.3Å
135Y85.6Confident86.5Confident14 Ų1445 Ų456%0.05522%0.224CC..  trans-95.9144.5168.1-72.2-57.8000110.4T137 I142 W143 I146 T213 L248 G268 H269 T272Y135-T137 VanDerWaalsContact C-N 3.27Å; Y135-T137 PolarHBondContact O-N 2.89Å; Y135-I142 HydrophobicContact CD2-CG2 3.89Å; Y135-I142 WeakPolarHBondContact CD2-O 3.43Å; Y135-W143 PolarHBondContact N-O 2.97Å; Y135-I146 HydrophobicContact CE2-CG1 4.5Å; Y135-T213 HydrophobicContact CD1-CG2 3.72Å; Y135-T213 HydrophobicContact CE1-CG2 4.26Å; Y135-T213 HydrophobicContact CG-CG2 3.99Å; Y135-L248 HydrophobicContact CD2-CD1 3.98Å; Y135-L248 HydrophobicContact CE2-CD1 3.59Å; Y135-G268 WeakPolarHBondContact OH-CA 3.14Å; Y135-H269 PolarHBondContact OH-N 2.84Å; Y135-T272 HydrophobicContact CE1-CG2 3.76Å; Y135-T272 PolarHBondContact OH-OG1 3.2Å
136N76.1Confident86.4Confident156 Ų15644.9 Ų44.983%0.83422%0.223SC*.SBendtrans-80.474.6173.2-167.213.3000110.5
137T73.7Confident86.4Confident10 Ų1040 Ų406%0.06120%0.2CC..  trans-137.7156.1-179.8170.60000111.7Y135 N139 I142 W143 E209 L210Y135-T137 VanDerWaalsContact C-N 3.27Å; Y135-T137 PolarHBondContact O-N 2.89Å; T137-N139 PolarHBondContact OG1-N 2.84Å; T137-I142 HydrophobicContact CG2-CB 3.87Å; T137-I142 HydrophobicContact CG2-CG2 3.78Å; T137-W143 HydrophobicContact CG2-CB 4.13Å; T137-E209 VanDerWaalsContact OG1-CG 3.23Å; T137-E209 WeakPolarHBondContact OG1-CG 3.45Å; T137-E209 PolarHBondContact OG1-OE1 2.89Å; T137-L210 HydrophobicContact CG2-CD2 4.24Å
138V66.8Low86.4Confident133 Ų13341.1 Ų41.181%0.80621%0.206SC*.SBendtrans-76.3-24.2178.8-177.30000112.2E140V138-E140 PolarHBondContact O-N 2.96Å
139N71.7Confident86.4Confident37 Ų3735.4 Ų35.420%0.19818%0.181CC..  trans-72.2113.4179.8-178.2-45.7000110.9T137 N141 I142 W143T137-N139 PolarHBondContact OG1-N 2.84Å; N139-N141 VanDerWaalsContact C-N 3.31Å; N139-N141 PolarHBondContact O-N 2.89Å; N139-N141 PolarHBondContact OD1-N 2.81Å; N139-I142 HydrophobicContact CB-CB 4.2Å; N139-I142 HydrophobicContact CB-CD1 4.03Å; N139-I142 HydrophobicContact CB-CG1 4.18Å; N139-I142 CarbonylContact O-C 3.56Å; N139-I142 PolarHBondContact O-N 3.28Å; N139-I142 VanDerWaalsContact O-N 3.1Å; N139-I142 PolarHBondContact OD1-N 3.3Å; N139-W143 VanDerWaalsContact O-CB 3.26Å; N139-W143 WeakPolarHBondContact O-CB 3.29Å; N139-W143 PolarHBondContact O-N 3.37Å
140E71.7Confident86.5Confident90 Ų9037.5 Ų37.542%0.42119%0.194SC..Hα-helixtrans-57.9-36.1-173.7-65.7-165.7163.600114.4K98 V138 N144K98-E140 WeakPolarHBondContact CE-OE1 3.47Å; K98-E140 IonicContact NZ-OE1 2.85Å; K98-E140 PolarHBondContact NZ-OE1 2.86Å; V138-E140 PolarHBondContact O-N 2.96Å; E140-N144 PolarHBondContact O-N 3.01Å; E140-N144 PolarHBondContact O-ND2 3.2Å
141N70.5Confident86.5Confident81 Ų8137.6 Ų37.643%0.43319%0.194SC..Hα-helixtrans-70.6-36.3179.8-75.8-30.2000111.7S90 N139S90-N141 PolarHBondContact OG-O 2Å; N139-N141 VanDerWaalsContact C-N 3.31Å; N139-N141 PolarHBondContact O-N 2.89Å; N139-N141 PolarHBondContact OD1-N 2.81Å
142I80.3Confident86.6Confident0 Ų041.1 Ų41.10%021%0.207CC..Hα-helixtrans-81.7-35.6177.9-54.2174.8000110.3Y135 T137 N139 N144 G145 L210 L248 L251 F266Y135-I142 HydrophobicContact CD2-CG2 3.89Å; Y135-I142 WeakPolarHBondContact CD2-O 3.43Å; T137-I142 HydrophobicContact CG2-CB 3.87Å; T137-I142 HydrophobicContact CG2-CG2 3.78Å; N139-I142 HydrophobicContact CB-CB 4.2Å; N139-I142 HydrophobicContact CB-CD1 4.03Å; N139-I142 HydrophobicContact CB-CG1 4.18Å; N139-I142 CarbonylContact O-C 3.56Å; N139-I142 PolarHBondContact O-N 3.28Å; N139-I142 VanDerWaalsContact O-N 3.1Å; N139-I142 PolarHBondContact OD1-N 3.3Å; I142-N144 PolarHBondContact O-N 2.75Å; I142-G145 WeakPolarHBondContact O-CA 3.39Å; I142-G145 PolarHBondContact O-N 3.43Å; I142-L210 HydrophobicContact CD1-CD1 3.75Å; I142-L210 HydrophobicContact CD1-CD2 4.05Å; I142-L210 HydrophobicContact CG2-CD2 3.73Å; I142-L248 HydrophobicContact CG2-CD1 4.27Å; I142-L251 HydrophobicContact CD1-CD2 3.82Å; I142-F266 HydrophobicContact CD1-CD1 3.99Å; I142-F266 HydrophobicContact CD1-CE1 4.46Å; I142-F266 HydrophobicContact CD1-CG 4.42Å; I142-F266 HydrophobicContact CG1-CD1 4.14Å; I142-F266 HydrophobicContact CG2-CD1 3.93Å; I142-F266 HydrophobicContact CG2-CE1 3.49Å; I142-F266 VanDerWaalsContact CG2-CE1 3.49Å; I142-F266 HydrophobicContact CG2-CZ 4.35Å
143W84.3Confident86.8Confident82 Ų8249 Ų4931%0.31124%0.242SC..Hα-helixtrans-56.4-37.5179.7178.988000111.9W100 P134 Y135 T137 N139 G145 I285W100-W143 HydrophobicContact CZ2-CH2 4.45Å; W100-W143 AromaticContact CZ2-CZ3 3.93Å; W100-W143 HydrophobicContact CZ2-CZ3 3.93Å; P134-W143 CarbonylContact C-O 3.54Å; P134-W143 WeakPolarHBondContact CA-O 3.4Å; P134-W143 WeakPolarHBondContact CB-O 3.29Å; Y135-W143 PolarHBondContact N-O 2.97Å; T137-W143 HydrophobicContact CG2-CB 4.13Å; N139-W143 VanDerWaalsContact O-CB 3.26Å; N139-W143 WeakPolarHBondContact O-CB 3.29Å; N139-W143 PolarHBondContact O-N 3.37Å; W143-G145 PolarHBondContact O-N 2.91Å; W143-G145 VanDerWaalsContact O-N 3.14Å; W143-I285 HydrophobicContact CH2-CD1 4.45Å
144N90.4Very high87Confident5 Ų550.1 Ų50.13%0.02725%0.25CS..THydrogen-bonded Turntrans-67.5-12.5176.6-58.3-44.2000113.1G89 S90 R93 W100 I132 E140 I142G89-N144 WeakPolarHBondContact CA-O 3.5Å; S90-N144 VanDerWaalsContact OG-CB 3.3Å; S90-N144 WeakPolarHBondContact OG-CB 3.34Å; S90-N144 PolarHBondContact OG-ND2 2.9Å; R93-N144 WeakPolarHBondContact CD-OD1 3.3Å; R93-N144 PolarHBondContact NH1-OD1 3.22Å; W100-N144 HydrophobicContact CH2-CB 4.16Å; I132-N144 WeakPolarHBondContact CG2-O 2.96Å; E140-N144 PolarHBondContact O-N 3.01Å; E140-N144 PolarHBondContact O-ND2 3.2Å; I142-N144 PolarHBondContact O-N 2.75Å
145G93.5Very high87.4Confident0 Ų048.7 Ų48.70%024%0.241CC..  trans55.4-141172.400000114.6G89 M133 I142 W143 L248G89-G145 PolarHBondContact N-O 3.01Å; M133-G145 WeakPolarHBondContact O-CA 3.46Å; I142-G145 WeakPolarHBondContact O-CA 3.39Å; I142-G145 PolarHBondContact O-N 3.43Å; W143-G145 PolarHBondContact O-N 2.91Å; W143-G145 VanDerWaalsContact O-N 3.14Å; G145-L248 VanDerWaalsContact O-CD2 3.25Å; G145-L248 WeakPolarHBondContact O-CD2 3.24Å
146I95.3Very high87.9Confident0 Ų052 Ų520%026%0.262CS..EExtended strand (participates in β ladder)trans-108.8142.9-173.7-52.1176.4000110T87 I132 M133 Y135 V246 G268 H269 V273T87-I146 WeakPolarHBondContact O-CG2 3.34Å; I132-I146 WeakPolarHBondContact CA-O 3.44Å; M133-I146 PolarHBondContact N-O 3.26Å; M133-I146 PolarHBondContact O-N 3.2Å; M133-I146 VanDerWaalsContact O-N 3.16Å; Y135-I146 HydrophobicContact CE2-CG1 4.5Å; I146-V246 HydrophobicContact CG1-CB 4.41Å; I146-V246 HydrophobicContact CG2-CB 4.32Å; I146-V246 HydrophobicContact CG2-CG2 3.92Å; I146-G268 WeakPolarHBondContact CD1-O 3.49Å; I146-H269 WeakPolarHBondContact CD1-O 3.31Å; I146-V273 HydrophobicContact CB-CB 4.16Å; I146-V273 HydrophobicContact CB-CG1 4.33Å; I146-V273 HydrophobicContact CG2-CB 4.04Å; I146-V273 HydrophobicContact CG2-CG1 3.68Å
147A96.1Very high88.8Confident0 Ų045.4 Ų45.40%023%0.227CC..EExtended strand (participates in β ladder)trans-117.2141176.400000112.5T87 F92 I130 R131 I132T87-A147 HydrophobicContact CG2-CB 4.02Å; T87-A147 PolarHBondContact N-O 3.29Å; T87-A147 PolarHBondContact O-N 2.04Å; F92-A147 HydrophobicContact CD2-CB 4.07Å; F92-A147 HydrophobicContact CE2-CB 3.75Å; I130-A147 HydrophobicContact CG2-CB 4.16Å; R131-A147 CarbonylContact O-C 3.39Å; R131-A147 VanDerWaalsContact O-CA 3.31Å; R131-A147 WeakPolarHBondContact O-CA 3.44Å; I132-A147 HydrophobicContact CG1-CB 3.91Å
148L96.9Very high89.7Confident25 Ų2547.7 Ų47.713%0.13124%0.238CC..EExtended strand (participates in β ladder)trans-107.9117.6165.5-179.667.9000108.5I69 L84 L86 R131 V273 L274I69-L148 HydrophobicContact CD1-CD1 3.85Å; L84-L148 HydrophobicContact CB-CD1 4.27Å; L84-L148 HydrophobicContact CD2-CD1 4.43Å; L86-L148 HydrophobicContact CD2-CB 4.37Å; L86-L148 HydrophobicContact CD2-CD1 3.75Å; L86-L148 HydrophobicContact CG-CD1 4.41Å; R131-L148 PolarHBondContact N-O 2.65Å; R131-L148 PolarHBondContact O-N 2.86Å; L148-V273 HydrophobicContact CB-CG2 3.92Å; L148-L274 HydrophobicContact CD1-CD2 4.48Å; L148-L274 HydrophobicContact CD2-CD2 4.36Å
149V98Very high91Very high0 Ų047.2 Ų47.20%023%0.225CC..EExtended strand (participates in β ladder)trans-98.5133.5175.9-1740000109.1L84 I85 T87 F92 P127 I130 L151L84-V149 WeakPolarHBondContact CA-O 3.02Å; I85-V149 HydrophobicContact CB-CB 4.09Å; I85-V149 PolarHBondContact N-O 2.99Å; I85-V149 PolarHBondContact O-N 3Å; T87-V149 HydrophobicContact CG2-CG2 4.01Å; F92-V149 HydrophobicContact CE1-CG2 4.45Å; F92-V149 HydrophobicContact CE2-CG2 3.83Å; F92-V149 HydrophobicContact CZ-CG2 3.44Å; F92-V149 VanDerWaalsContact CZ-CG2 3.44Å; P127-V149 HydrophobicContact CB-CG1 3.7Å; P127-V149 HydrophobicContact CG-CG1 3.81Å; I130-V149 HydrophobicContact CG1-CG1 4.21Å; I130-V149 HydrophobicContact CG1-CG2 4.34Å; I130-V149 HydrophobicContact CG2-CG2 4.38Å; V149-L151 HydrophobicContact CG1-CD2 4.29Å
150T97.7Very high92Very high44 Ų4449.3 Ų49.327%0.2723%0.234SC..EExtended strand (participates in β ladder)trans-107115.1170.3-58.40000109K83 K128 G129K83-T150 HydrophobicContact CB-CG2 4.38Å; K83-T150 WeakPolarHBondContact O-CA 3.4Å; K128-T150 WeakPolarHBondContact CA-O 3.46Å; K128-T150 WeakPolarHBondContact CB-O 3.4Å; K128-T150 PolarHBondContact N-O 2.8Å; G129-T150 PolarHBondContact N-O 3.13Å; G129-T150 PolarHBondContact O-N 3.31Å
151L98.1Very high93.2Very high1 Ų145 Ų451%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-74.4152.6177.2-58.8176.9000112K83 I85 V108 E126 V149 K153 F155K83-L151 HydrophobicContact CB-CB 4.38Å; K83-L151 WeakPolarHBondContact O-CG 3.27Å; K83-L151 PolarHBondContact O-N 2.92Å; I85-L151 HydrophobicContact CD1-CD1 4.15Å; I85-L151 HydrophobicContact CG1-CD1 4.05Å; I85-L151 HydrophobicContact CG1-CD2 4.41Å; I85-L151 HydrophobicContact CG1-CG 4.13Å; V108-L151 HydrophobicContact CB-CD2 4.04Å; V108-L151 HydrophobicContact CG2-CD2 3.8Å; E126-L151 CarbonylContact O-C 3.43Å; E126-L151 WeakPolarHBondContact O-CA 3.15Å; V149-L151 HydrophobicContact CG1-CD2 4.29Å; L151-K153 VanDerWaalsContact CB-O 3.24Å; L151-K153 WeakPolarHBondContact CB-O 3.35Å; L151-F155 HydrophobicContact CD1-CD1 4.41Å; L151-F155 HydrophobicContact CD1-CD2 3.87Å; L151-F155 HydrophobicContact CD1-CE1 4.2Å; L151-F155 HydrophobicContact CD1-CE2 3.62Å; L151-F155 HydrophobicContact CD1-CG 4.26Å; L151-F155 HydrophobicContact CD1-CZ 3.8Å
152R97.1Very high94.4Very high135 Ų13541.2 Ų41.251%0.50919%0.193SC..EExtended strand (participates in β ladder)trans-63.9-47.6172.7-70.2-178.6-178.1-87-3.9111.5E126 K128E126-R152 HydrophobicContact CB-CG 4.47Å; E126-R152 PolarHBondContact O-N 3.01Å; E126-R152 IonicContact OE2-NE 2.75Å; K128-R152 HydrophobicContact CB-CG 3.74Å; K128-R152 HydrophobicContact CG-CG 4.42Å
153K96.9Very high95.2Very high165 Ų16541.2 Ų41.272%0.71719%0.193SC*.EExtended strand (participates in β ladder)trans-114.6141.1175.4-65.1-176-179.4-178.70109.1L151L151-K153 VanDerWaalsContact CB-O 3.24Å; L151-K153 WeakPolarHBondContact CB-O 3.35Å
154P96.8Very high95.7Very high42 Ų4237.3 Ų37.327%0.27318%0.179SC..EExtended strand (participates in β ladder)trans-72152.9177.932.3-34.1000110.9S82 K83S82-P154 CarbonylContact O-C 3.58Å; S82-P154 VanDerWaalsContact O-CA 3.27Å; S82-P154 WeakPolarHBondContact O-CA 3.35Å; K83-P154 HydrophobicContact CG-CB 3.67Å; K83-P154 HydrophobicContact CG-CG 4.49Å
155F97.4Very high95.9Very high3 Ų337.1 Ų37.11%0.01318%0.178CC..EExtended strand (participates in β ladder)trans-76.1130.4159.6-67.8-36.7000109.5V53 I68 S81 S82 I85 V108 A110 Q123 L151 V161V53-F155 HydrophobicContact CG1-CE2 4.24Å; I68-F155 HydrophobicContact CD1-CD2 3.81Å; I68-F155 HydrophobicContact CG1-CD2 4.12Å; S81-F155 CarbonylContact C-O 3.6Å; S81-F155 WeakPolarHBondContact CA-O 3.49Å; S81-F155 WeakPolarHBondContact CB-O 3.38Å; S82-F155 PolarHBondContact N-O 3.18Å; S82-F155 PolarHBondContact O-N 2.96Å; I85-F155 HydrophobicContact CD1-CD2 4.07Å; I85-F155 HydrophobicContact CD1-CE2 3.9Å; V108-F155 HydrophobicContact CB-CZ 4.3Å; V108-F155 HydrophobicContact CG1-CE2 3.98Å; V108-F155 HydrophobicContact CG1-CZ 4.09Å; A110-F155 HydrophobicContact CB-CD2 3.84Å; A110-F155 HydrophobicContact CB-CE1 4.43Å; A110-F155 HydrophobicContact CB-CE2 3.66Å; A110-F155 HydrophobicContact CB-CG 4.31Å; A110-F155 HydrophobicContact CB-CZ 3.98Å; Q123-F155 HydrophobicContact CB-CD1 3.57Å; Q123-F155 HydrophobicContact CB-CE1 3.76Å; Q123-F155 HydrophobicContact CB-CG 4.46Å; Q123-F155 VanDerWaalsContact OE1-CA 3.31Å; L151-F155 HydrophobicContact CD1-CD1 4.41Å; L151-F155 HydrophobicContact CD1-CD2 3.87Å; L151-F155 HydrophobicContact CD1-CE1 4.2Å; L151-F155 HydrophobicContact CD1-CE2 3.62Å; L151-F155 HydrophobicContact CD1-CG 4.26Å; L151-F155 HydrophobicContact CD1-CZ 3.8Å; F155-V161 HydrophobicContact CB-CG1 4.08Å
156V96Very high96Very high83 Ų8339 Ų3950%0.50319%0.19SC..EExtended strand (participates in β ladder)trans-86.2132.2178-179.30000108.5Q123Q123-V156 PolarHBondContact NE2-O 3.07Å
157F95.2Very high95.7Very high18 Ų1841.8 Ų41.88%0.07920%0.202CC..PPolyproline II helixtrans-76137.9-178.1-55.7-28.6000111.6Y33 I68 R79 N80 S81 V161 P163Y33-F157 HydrophobicContact CD1-CB 3.56Å; Y33-F157 HydrophobicContact CD1-CD2 4.29Å; Y33-F157 HydrophobicContact CD1-CG 4.38Å; Y33-F157 HydrophobicContact CE1-CB 3.81Å; Y33-F157 AromaticContact CE1-CD2 3.64Å; Y33-F157 HydrophobicContact CE1-CD2 3.64Å; Y33-F157 HydrophobicContact CE1-CG 4.17Å; Y33-F157 HydrophobicContact CG-CB 4.04Å; Y33-F157 AromaticContact CZ-CD2 3.75Å; I68-F157 HydrophobicContact CG2-CE1 3.91Å; I68-F157 HydrophobicContact CG2-CZ 4.46Å; R79-F157 WeakPolarHBondContact O-CE2 3.36Å; N80-F157 PolarHBondContact O-N 3Å; S81-F157 VanDerWaalsContact C-CZ 3.47Å; F157-V161 CarbonylContact C-O 3.54Å; F157-V161 WeakPolarHBondContact CA-O 3.1Å; F157-V161 WeakPolarHBondContact CB-O 3.1Å; F157-V161 HydrophobicContact CD1-CG1 4.5Å; F157-P163 HydrophobicContact CD2-CG 4.18Å; F157-P163 HydrophobicContact CE1-CB 4.25Å; F157-P163 HydrophobicContact CE1-CG 4.14Å; F157-P163 HydrophobicContact CE2-CB 4.33Å; F157-P163 HydrophobicContact CE2-CG 3.52Å; F157-P163 HydrophobicContact CZ-CB 3.79Å; F157-P163 HydrophobicContact CZ-CG 3.49Å; F157-P163 VanDerWaalsContact CZ-CG 3.49Å
158N94.1Very high94.7Very high57 Ų5745.3 Ų45.331%0.30523%0.231SC..SBendtrans-156.5-166.4-179.770.22.8000109.4Y33 E160 V161Y33-N158 WeakPolarHBondContact CB-O 3.48Å; Y33-N158 CarbonylContact O-C 3.57Å; N158-E160 VanDerWaalsContact C-N 3.25Å; N158-E160 PolarHBondContact ND2-OE2 3.07Å; N158-E160 PolarHBondContact O-N 3.18Å; N158-E160 PolarHBondContact OD1-N 2.84Å; N158-E160 PolarHBondContact OD1-OE2 3.41Å; N158-V161 PolarHBondContact N-O 3.16Å; N158-V161 CarbonylContact O-C 3.51Å; N158-V161 PolarHBondContact O-N 3.34Å; N158-V161 WeakPolarHBondContact OD1-CB 3.11Å; N158-V161 PolarHBondContact OD1-N 2.04Å
159K93.5Very high93.7Very high124 Ų12448.2 Ų48.254%0.53926%0.258SS..SBendtrans-65-25.2-177.970.4-177-173.8-179.10114.2Y33 G34 G35 Y41Y33-K159 PolarHBondContact O-N 3.11Å; Y33-K159 VanDerWaalsContact O-N 3.12Å; G34-K159 VanDerWaalsContact C-CB 3.44Å; G34-K159 WeakPolarHBondContact O-CB 3.47Å; G35-K159 WeakPolarHBondContact CA-O 3.41Å; Y41-K159 PolarHBondContact OH-O 3.29Å
160E93.4Very high92.9Very high80 Ų8051.7 Ų51.737%0.37427%0.272SS..SBendtrans-99.4-16178.4-55.888177.400114P50 G111 N158P50-E160 WeakPolarHBondContact CA-O 3.26Å; P50-E160 VanDerWaalsContact CB-O 3.31Å; P50-E160 WeakPolarHBondContact CB-O 3.37Å; G111-E160 WeakPolarHBondContact CA-O 3.11Å; N158-E160 VanDerWaalsContact C-N 3.25Å; N158-E160 PolarHBondContact ND2-OE2 3.07Å; N158-E160 PolarHBondContact O-N 3.18Å; N158-E160 PolarHBondContact OD1-N 2.84Å; N158-E160 PolarHBondContact OD1-OE2 3.41Å
161V95.5Very high92.4Very high1 Ų150.9 Ų50.91%0.00627%0.27CS..  trans-134.5114-171.1-177.10000109.8P50 I68 A110 F155 F157 N158P50-V161 WeakPolarHBondContact O-CA 3.33Å; I68-V161 HydrophobicContact CD1-CG1 3.44Å; I68-V161 VanDerWaalsContact CD1-CG1 3.44Å; A110-V161 HydrophobicContact CB-CG1 4.24Å; A110-V161 HydrophobicContact CB-CG2 4.12Å; F155-V161 HydrophobicContact CB-CG1 4.08Å; F157-V161 CarbonylContact C-O 3.54Å; F157-V161 WeakPolarHBondContact CA-O 3.1Å; F157-V161 WeakPolarHBondContact CB-O 3.1Å; F157-V161 HydrophobicContact CD1-CG1 4.5Å; N158-V161 PolarHBondContact N-O 3.16Å; N158-V161 CarbonylContact O-C 3.51Å; N158-V161 PolarHBondContact O-N 3.34Å; N158-V161 WeakPolarHBondContact OD1-CB 3.11Å; N158-V161 PolarHBondContact OD1-N 2.04Å
162S95.6Very high91.9Very high0 Ų055.3 Ų55.30%029%0.292CS..  trans-152.6155.8176.261.90000111P50 W51P50-S162 CarbonylContact C-O 3.55Å; P50-S162 WeakPolarHBondContact CB-OG 3.31Å; P50-S162 WeakPolarHBondContact CG-OG 3.17Å; P50-S162 PolarHBondContact O-N 2.79Å; W51-S162 WeakPolarHBondContact CA-O 3.37Å; W51-S162 VanDerWaalsContact CB-O 3.24Å; W51-S162 WeakPolarHBondContact CB-O 3.34Å; W51-S162 PolarHBondContact N-O 2.87Å
163P96.8Very high91.5Very high0 Ų049.1 Ų49.10%027%0.269CS..PPolyproline II helixtrans-83.9148.9-173.533.7-34000111.9C27 G28 Y33 I68 F157C27-P163 HydrophobicContact CB-CB 4.49Å; C27-P163 HydrophobicContact CB-CG 4.09Å; G28-P163 PolarHBondContact N-O 2.88Å; Y33-P163 HydrophobicContact CE2-CG 4.49Å; I68-P163 HydrophobicContact CG2-CB 4.19Å; I68-P163 CarbonylContact O-C 3.08Å; I68-P163 VanDerWaalsContact O-CA 3.31Å; I68-P163 WeakPolarHBondContact O-CA 3.31Å; F157-P163 HydrophobicContact CD2-CG 4.18Å; F157-P163 HydrophobicContact CE1-CB 4.25Å; F157-P163 HydrophobicContact CE1-CG 4.14Å; F157-P163 HydrophobicContact CE2-CB 4.33Å; F157-P163 HydrophobicContact CE2-CG 3.52Å; F157-P163 HydrophobicContact CZ-CB 3.79Å; F157-P163 HydrophobicContact CZ-CG 3.49Å; F157-P163 VanDerWaalsContact CZ-CG 3.49Å
164V96.3Very high90.9Very high0 Ų044.2 Ų44.20%026%0.256CS..PPolyproline II helixtrans-85.2145.7165.569.30000109.8W51 I68 I69 P70 V234 A241 Q243W51-V164 HydrophobicContact CB-CB 3.97Å; W51-V164 HydrophobicContact CB-CG1 4.33Å; W51-V164 HydrophobicContact CD2-CB 3.69Å; W51-V164 HydrophobicContact CD2-CG2 4.13Å; W51-V164 HydrophobicContact CE3-CB 4.02Å; W51-V164 HydrophobicContact CE3-CG2 4.44Å; W51-V164 HydrophobicContact CG-CB 3.68Å; W51-V164 HydrophobicContact CG-CG1 4.28Å; W51-V164 HydrophobicContact CG-CG2 4.47Å; W51-V164 HydrophobicContact CZ2-CG2 4.42Å; I68-V164 PolarHBondContact O-N 2.84Å; I69-V164 HydrophobicContact CG2-CG1 4.37Å; P70-V164 WeakPolarHBondContact CD-O 3.5Å; V164-V234 HydrophobicContact CG2-CG1 3.88Å; V164-V234 HydrophobicContact CG2-CG2 4.08Å; V164-A241 HydrophobicContact CG2-CB 4.08Å; V164-Q243 HydrophobicContact CG1-CB 3.84Å; V164-Q243 HydrophobicContact CG2-CB 4.16Å
165C95Very high90Very high2 Ų247.8 Ų47.81%0.01427%0.273CS..EExtended strand (participates in β ladder)trans-70152.6170.8-62.70000110.6C27 K240 A241 Y242 Q243C27-C165 HydrophobicContact CB-CB 4.07Å; C27-C165 WeakPolarHBondContact CB-SG 3.35Å; C27-C165 PolarHBondContact O-SG 3.42Å; C27-C165 WeakPolarHBondContact SG-CA 3.23Å; C27-C165 WeakPolarHBondContact SG-CB 3.22Å; C27-C165 CovalentContact SG-SG 2.04Å; C27-C165 PolarHBondContact SG-SG 2.78Å; C165-K240 WeakPolarHBondContact SG-CE 3.1Å; C165-A241 WeakPolarHBondContact CB-O 3.22Å; C165-A241 PolarHBondContact N-O 3.17Å; C165-Y242 HydrophobicContact CB-CD1 3.51Å; C165-Y242 HydrophobicContact CB-CE1 3.66Å; C165-Y242 HydrophobicContact CB-CG 4.17Å; C165-Y242 CarbonylContact O-C 3.59Å; C165-Y242 WeakPolarHBondContact O-CA 3.21Å; C165-Q243 PolarHBondContact O-N 3.21Å
166V93.9Very high89.3Confident40 Ų4053.6 Ų53.624%0.24231%0.309CS..EExtended strand (participates in β ladder)trans-110.6132.6176.9-173.10000109.3I69 L86 V270 L274I69-V166 HydrophobicContact CB-CG2 3.75Å; I69-V166 HydrophobicContact CG2-CG2 3.4Å; L86-V166 HydrophobicContact CD1-CG2 4.29Å; V166-V270 HydrophobicContact CG1-CB 3.79Å; V166-V270 HydrophobicContact CG1-CG1 4.35Å; V166-V270 HydrophobicContact CG1-CG2 3.4Å; V166-V270 VanDerWaalsContact CG1-CG2 3.4Å; V166-L274 HydrophobicContact CB-CD1 4.41Å; V166-L274 HydrophobicContact CG1-CD1 3.58Å
167K89.5Confident88.7Confident58 Ų5850.6 Ų50.625%0.25229%0.292SS..  trans-80.6136.4178.6-155.469.4176.8174.50111.6A171 Y242 Q243 Y244K167-A171 HydrophobicContact CB-CB 4.38Å; K167-A171 HydrophobicContact CD-CB 4.48Å; K167-A171 HydrophobicContact CG-CB 3.41Å; K167-A171 VanDerWaalsContact CG-CB 3.41Å; K167-Y242 HydrophobicContact CD-CD1 3.92Å; K167-Y242 HydrophobicContact CD-CE1 4.48Å; K167-Y242 HydrophobicContact CD-CG 4.35Å; K167-Q243 PolarHBondContact N-O 3.21Å; K167-Y244 HydrophobicContact CB-CD1 3.98Å; K167-Y244 HydrophobicContact CB-CE1 3.96Å; K167-Y244 HydrophobicContact CB-CE2 4.48Å; K167-Y244 HydrophobicContact CB-CG 4.3Å; K167-Y244 HydrophobicContact CD-CE1 4.32Å; K167-Y244 HydrophobicContact CG-CD1 4.09Å; K167-Y244 HydrophobicContact CG-CE1 3.59Å
168A74.9Confident88.5Confident74 Ų7457.3 Ų57.361%0.61232%0.321SS*.  trans-73.3158.4-177.900000113.1Y170 A171A168-Y170 PolarHBondContact O-N 3.33Å; A168-A171 WeakPolarHBondContact O-CB 3.44Å; A168-A171 PolarHBondContact O-N 2.73Å
169A75.9Confident88.4Confident86 Ų8654.6 Ų54.671%0.71131%0.306SS*.THydrogen-bonded Turntrans30.666.8162.800000117.2A171A169-A171 PolarHBondContact O-N 2.69Å; A169-A171 VanDerWaalsContact O-N 3.11Å
170Y81.8Confident88.4Confident72 Ų7248.8 Ų48.828%0.28228%0.281SS..THydrogen-bonded Turntrans56.129.1171.4-60.2-79.1000115.1A168 K214 H269 A271 T272A168-Y170 PolarHBondContact O-N 3.33Å; Y170-K214 HydrophobicContact CD1-CB 3.57Å; Y170-K214 HydrophobicContact CD1-CD 3.72Å; Y170-K214 HydrophobicContact CD1-CG 4.3Å; Y170-K214 HydrophobicContact CD2-CD 4.09Å; Y170-K214 HydrophobicContact CE1-CB 3.85Å; Y170-K214 HydrophobicContact CE1-CD 3.92Å; Y170-K214 HydrophobicContact CE1-CG 4.48Å; Y170-K214 HydrophobicContact CE2-CD 4.29Å; Y170-K214 HydrophobicContact CG-CB 4.36Å; Y170-K214 HydrophobicContact CG-CD 3.8Å; Y170-H269 WeakPolarHBondContact CA-CE1 3.42Å; Y170-H269 VanDerWaalsContact CA-NE2 3.33Å; Y170-H269 WeakPolarHBondContact CA-NE2 3.31Å; Y170-H269 HydrophobicContact CD1-CB 3.89Å; Y170-H269 AromaticContact CD1-CG 3.71Å; Y170-H269 AromaticContact CD1-ND1 3.72Å; Y170-H269 HydrophobicContact CE1-CB 4.16Å; Y170-H269 PolarHBondContact N-CE1 3.06Å; Y170-A271 HydrophobicContact CD1-CB 4.27Å; Y170-A271 HydrophobicContact CD2-CB 4.15Å; Y170-A271 HydrophobicContact CE1-CB 4.22Å; Y170-A271 HydrophobicContact CE2-CB 4.08Å; Y170-A271 HydrophobicContact CG-CB 4.25Å; Y170-T272 WeakPolarHBondContact CE1-OG1 3.15Å; Y170-T272 PolarHBondContact OH-OG1 2.82Å
171A87.2Confident88.4Confident27 Ų2745 Ų4522%0.22326%0.263CS..  trans-59.8146.5174.700000111.5K167 A168 A169 Y244 H269K167-A171 HydrophobicContact CB-CB 4.38Å; K167-A171 HydrophobicContact CD-CB 4.48Å; K167-A171 HydrophobicContact CG-CB 3.41Å; K167-A171 VanDerWaalsContact CG-CB 3.41Å; A168-A171 WeakPolarHBondContact O-CB 3.44Å; A168-A171 PolarHBondContact O-N 2.73Å; A169-A171 PolarHBondContact O-N 2.69Å; A169-A171 VanDerWaalsContact O-N 3.11Å; A171-Y244 HydrophobicContact CB-CD1 4.43Å; A171-Y244 HydrophobicContact CB-CE1 4.01Å; A171-Y244 VanDerWaalsContact O-CD1 3.31Å; A171-Y244 WeakPolarHBondContact O-CD1 3.28Å; A171-H269 PolarHBondContact N-NE2 2.79Å; A171-H269 PolarHBondContact O-CD2 2.97Å; A171-H269 PolarHBondContact O-NE2 3.43Å
172I87.2Confident88.3Confident95 Ų9545 Ų4549%0.48726%0.263SS..  trans-111.1135.1176.7-56.8176.8000107.5L216I172-L216 HydrophobicContact CG1-CD2 4.15Å; I172-L216 HydrophobicContact CG2-CD2 4.26Å
173P88.6Confident88.1Confident4 Ų445.6 Ų45.63%0.02627%0.267CS..  trans-59.5144.8172.2-18.329.4000111.1M196 C235 Y244P173-M196 HydrophobicContact CB-CG 4.32Å; P173-M196 HydrophobicContact CG-CE 4.31Å; P173-M196 HydrophobicContact CG-CG 4.39Å; P173-C235 HydrophobicContact CB-CB 4.29Å; P173-C235 VanDerWaalsContact CB-SG 3.58Å; P173-C235 WeakPolarHBondContact CG-SG 3.48Å; P173-Y244 HydrophobicContact CB-CE1 4.32Å; P173-Y244 HydrophobicContact CB-CE2 4.41Å; P173-Y244 VanDerWaalsContact CD-CD1 3.47Å; P173-Y244 HydrophobicContact CG-CD1 3.61Å; P173-Y244 HydrophobicContact CG-CD2 3.83Å; P173-Y244 HydrophobicContact CG-CE1 3.84Å; P173-Y244 HydrophobicContact CG-CE2 4.08Å; P173-Y244 HydrophobicContact CG-CG 3.59Å
174S84.9Confident87.8Confident62 Ų6247.1 Ų47.143%0.43427%0.273SS..  trans-58.9148.1166.21780000110.8T176 S177S174-T176 PolarHBondContact O-N 2.99Å; S174-T176 PolarHBondContact OG-N 3.42Å; S174-T176 PolarHBondContact OG-OG1 2.87Å; S174-S177 PolarHBondContact N-OG 3.15Å; S174-S177 WeakPolarHBondContact O-CB 3.31Å; S174-S177 PolarHBondContact O-N 3.31Å; S174-S177 PolarHBondContact O-OG 3.44Å
175D78.1Confident87.5Confident117 Ų11750.9 Ų50.963%0.62629%0.29SS*.THydrogen-bonded Turntrans-62.9-21.4175.2-62.9-18.3000112.6
176T81.3Confident87Confident126 Ų12657.2 Ų57.277%0.77332%0.324SS*.THydrogen-bonded Turntrans-86.1-8.1174.858.70000113.5S174S174-T176 PolarHBondContact O-N 2.99Å; S174-T176 PolarHBondContact OG-N 3.42Å; S174-T176 PolarHBondContact OG-OG1 2.87Å
177S85Confident86.6Confident20 Ų2062.5 Ų62.514%0.1434%0.339CS..SBendtrans-70.8132.5-179.9-67.10000110.9S174 C179S174-S177 PolarHBondContact N-OG 3.15Å; S174-S177 WeakPolarHBondContact O-CB 3.31Å; S174-S177 PolarHBondContact O-N 3.31Å; S174-S177 PolarHBondContact O-OG 3.44Å; S177-C179 PolarHBondContact O-N 3.46Å
178K90.1Very high86.6Confident159 Ų15962.6 Ų62.669%0.69134%0.338SS*.  trans-75.6112.8168.1-66.3-176.2179-1770108.8C235 L236K178-C235 WeakPolarHBondContact O-CA 3.25Å; K178-L236 PolarHBondContact O-N 2.85Å
179C93Very high87.4Confident0 Ų059.2 Ų59.20%031%0.31CS..EExtended strand (participates in β ladder)trans-114.9152.4179.5-58.80000111.2S177 V194 M196 L233 V234 C235S177-C179 PolarHBondContact O-N 3.46Å; C179-V194 HydrophobicContact CB-CG2 3.92Å; C179-V194 PolarHBondContact O-N 3.22Å; C179-M196 HydrophobicContact CB-CG 4.15Å; C179-M196 HydrophobicContact CB-SD 4.07Å; C179-M196 VanDerWaalsContact SG-CG 3.55Å; C179-L233 HydrophobicContact CB-CD1 4.25Å; C179-V234 CarbonylContact C-O 3.49Å; C179-V234 WeakPolarHBondContact CA-O 3.41Å; C179-C235 HydrophobicContact CB-CB 4.07Å; C179-C235 WeakPolarHBondContact CB-SG 3.3Å; C179-C235 WeakPolarHBondContact SG-CB 3.16Å; C179-C235 CovalentContact SG-SG 2.04Å; C179-C235 PolarHBondContact SG-SG 2.85Å
180F91.8Very high88Confident2 Ų257.7 Ų57.71%0.00929%0.29CS..EExtended strand (participates in β ladder)trans-145.6159.9177.151.9-89.8000110.9L42 L49 W51 E191 D192 V234 L236L42-F180 HydrophobicContact CD1-CD1 4.5Å; L42-F180 HydrophobicContact CD1-CE1 4.31Å; L42-F180 HydrophobicContact CD2-CD1 3.94Å; L42-F180 HydrophobicContact CD2-CE1 4.06Å; L42-F180 HydrophobicContact CD2-CG 4.34Å; L49-F180 HydrophobicContact CD1-CD2 3.63Å; L49-F180 HydrophobicContact CD1-CE2 2.99Å; L49-F180 HydrophobicContact CD1-CZ 3.54Å; L49-F180 HydrophobicContact CG-CE2 4.47Å; W51-F180 HydrophobicContact CZ2-CE2 4.12Å; W51-F180 AromaticContact CZ2-CZ 3.93Å; W51-F180 HydrophobicContact CZ2-CZ 3.93Å; F180-E191 HydrophobicContact CD2-CB 4.44Å; F180-D192 CarbonylContact C-O 3.6Å; F180-D192 WeakPolarHBondContact CA-O 3.23Å; F180-D192 WeakPolarHBondContact CB-O 3.2Å; F180-V234 HydrophobicContact CD2-CB 4.07Å; F180-V234 HydrophobicContact CE1-CB 4.24Å; F180-V234 HydrophobicContact CE1-CG1 4.06Å; F180-V234 HydrophobicContact CE2-CB 3.39Å; F180-V234 HydrophobicContact CE2-CG1 3.72Å; F180-V234 HydrophobicContact CE2-CG2 4.03Å; F180-V234 HydrophobicContact CZ-CB 3.51Å; F180-V234 HydrophobicContact CZ-CG1 3.31Å; F180-V234 HydrophobicContact CZ-CG2 4.48Å; F180-V234 PolarHBondContact N-O 3.35Å; F180-V234 PolarHBondContact O-N 3.35Å; F180-L236 HydrophobicContact CE1-CD2 3.97Å; F180-L236 HydrophobicContact CE1-CG 4.24Å; F180-L236 HydrophobicContact CZ-CD2 4.49Å
181V93.3Very high88.3Confident0 Ų055.6 Ų55.60%028%0.282CS..EExtended strand (participates in β ladder)trans-128.3136.3175.164.10000109.7T183 D192 V194 P232 Y267V181-T183 HydrophobicContact CG1-CG2 4.31Å; V181-D192 HydrophobicContact CG1-CB 4.33Å; V181-D192 PolarHBondContact N-O 3.22Å; V181-D192 PolarHBondContact O-N 3.2Å; V181-V194 HydrophobicContact CB-CG1 4.43Å; V181-V194 HydrophobicContact CG1-CG1 3.68Å; V181-P232 WeakPolarHBondContact CA-O 3.41Å; V181-Y267 HydrophobicContact CB-CE1 4.2Å; V181-Y267 HydrophobicContact CG2-CE1 3.81Å
182S93.5Very high88.3Confident0 Ų055.6 Ų55.60%028%0.279CS..EExtended strand (participates in β ladder)trans-72.6137.8174.9-43.70000110.9T52 L65 D190 E191 P232T52-S182 PolarHBondContact OG1-OG 3.48Å; L65-S182 VanDerWaalsContact CD1-C 3.42Å; L65-S182 WeakPolarHBondContact CD1-O 3.43Å; S182-D190 CarbonylContact C-O 3.46Å; S182-D190 VanDerWaalsContact CA-O 3.27Å; S182-D190 WeakPolarHBondContact CA-O 3.38Å; S182-E191 WeakPolarHBondContact CA-OE2 2.91Å; S182-E191 WeakPolarHBondContact CB-OE2 3.32Å; S182-E191 PolarHBondContact N-OE2 2.77Å; S182-E191 PolarHBondContact OG-OE1 2.93Å; S182-E191 PolarHBondContact OG-OE2 3.47Å; S182-P232 WeakPolarHBondContact OG-CD 3.5Å; S182-P232 WeakPolarHBondContact OG-CG 3.39Å
183T92Very high88.4Confident13 Ų1357.7 Ų57.78%0.0829%0.289CS..EExtended strand (participates in β ladder)trans-128163.5-179.971.30000110.7V181 L189 D190 D192 S228V181-T183 HydrophobicContact CG1-CG2 4.31Å; T183-L189 WeakPolarHBondContact O-CA 3.17Å; T183-D190 PolarHBondContact N-O 3.43Å; T183-D190 PolarHBondContact O-N 2.91Å; T183-D192 HydrophobicContact CG2-CB 3.99Å; T183-D192 VanDerWaalsContact CG2-OD2 3.32Å; T183-D192 WeakPolarHBondContact CG2-OD2 2.82Å; T183-S228 WeakPolarHBondContact CG2-OG 3.04Å
184Y91.7Very high88.4Confident33 Ų3357.8 Ų57.813%0.12929%0.29CS..EExtended strand (participates in β ladder)trans-133104.5-179.3174.8-104.9000111.6F62 L115 R187 R188 L189 K227F62-Y184 HydrophobicContact CB-CE1 3.89Å; F62-Y184 AromaticContact CD1-CD1 3.52Å; F62-Y184 HydrophobicContact CD1-CD1 3.52Å; F62-Y184 AromaticContact CD1-CE1 3.63Å; F62-Y184 HydrophobicContact CD1-CE1 3.63Å; F62-Y184 HydrophobicContact CD1-CG 4.31Å; F62-Y184 AromaticContact CD2-CD1 3.99Å; F62-Y184 HydrophobicContact CD2-CD1 3.99Å; F62-Y184 HydrophobicContact CD2-CD2 4.3Å; F62-Y184 AromaticContact CD2-CE1 3.97Å; F62-Y184 HydrophobicContact CD2-CE1 3.97Å; F62-Y184 HydrophobicContact CD2-CE2 4.28Å; F62-Y184 HydrophobicContact CD2-CG 4.12Å; F62-Y184 AromaticContact CE1-CD1 3.48Å; F62-Y184 HydrophobicContact CE1-CD1 3.48Å; F62-Y184 VanDerWaalsContact CE1-CD1 3.48Å; F62-Y184 HydrophobicContact CE1-CE1 4.1Å; F62-Y184 AromaticContact CE1-CG 3.98Å; F62-Y184 HydrophobicContact CE1-CG 3.98Å; F62-Y184 AromaticContact CE2-CD1 3.93Å; F62-Y184 HydrophobicContact CE2-CD1 3.93Å; F62-Y184 HydrophobicContact CE2-CD2 4.1Å; F62-Y184 HydrophobicContact CE2-CE1 4.39Å; F62-Y184 AromaticContact CE2-CG 3.75Å; F62-Y184 HydrophobicContact CE2-CG 3.75Å; F62-Y184 AromaticContact CG-CD1 3.76Å; F62-Y184 HydrophobicContact CG-CD1 3.76Å; F62-Y184 AromaticContact CG-CE1 3.54Å; F62-Y184 HydrophobicContact CG-CE1 3.54Å; F62-Y184 HydrophobicContact CG-CG 4.37Å; F62-Y184 AromaticContact CG-CZ 3.98Å; F62-Y184 AromaticContact CZ-CD1 3.67Å; F62-Y184 HydrophobicContact CZ-CD1 3.67Å; F62-Y184 HydrophobicContact CZ-CD2 4.46Å; F62-Y184 HydrophobicContact CZ-CE1 4.43Å; F62-Y184 AromaticContact CZ-CG 3.66Å; F62-Y184 HydrophobicContact CZ-CG 3.66Å; L115-Y184 HydrophobicContact CB-CE2 4.09Å; L115-Y184 HydrophobicContact CD1-CD2 4.22Å; L115-Y184 HydrophobicContact CD1-CE2 3.51Å; L115-Y184 HydrophobicContact CG-CE2 4.07Å; Y184-R187 VanDerWaalsContact CE2-CA 3.48Å; Y184-R187 WeakPolarHBondContact OH-CA 3.12Å; Y184-R188 CarbonylContact C-O 3.55Å; Y184-R188 WeakPolarHBondContact CA-O 3.45Å; Y184-R188 WeakPolarHBondContact CD2-O 3.35Å; Y184-L189 HydrophobicContact CD2-CD1 4.16Å; Y184-L189 HydrophobicContact CD2-CG 4.4Å; Y184-L189 HydrophobicContact CE2-CD1 4.41Å; Y184-K227 WeakPolarHBondContact CB-O 3.43Å; Y184-K227 PolarHBondContact N-O 2.91Å; Y184-K227 WeakPolarHBondContact O-CB 3.29Å; Y184-K227 WeakPolarHBondContact O-CD 3.34Å; Y184-K227 WeakPolarHBondContact O-CG 3.46Å
185H88.1Confident88.7Confident78 Ų7862.1 Ų62.136%0.36130%0.297SS..EExtended strand (participates in β ladder)trans-128.9134.9-179.1-173.8-168.2000111.1R187 R188 E224 K227H185-R187 VanDerWaalsContact C-N 3.25Å; H185-R187 PolarHBondContact O-N 3.45Å; H185-R187 VanDerWaalsContact O-N 3.17Å; H185-R188 PolarHBondContact N-O 2.77Å; H185-R188 WeakPolarHBondContact O-CA 3.15Å; H185-R188 VanDerWaalsContact O-CB 3.29Å; H185-R188 WeakPolarHBondContact O-CB 3.27Å; H185-R188 PolarHBondContact O-N 3.07Å; H185-E224 IonicContact CG-OE2 2.79Å; H185-E224 IonicContact ND1-OE2 3.75Å; H185-K227 HydrophobicContact CB-CD 4.48Å; H185-K227 PolarHBondContact CD2-NZ 3.38Å; H185-K227 PolarHBondContact NE2-NZ 3.47Å
186N85.7Confident89.2Confident135 Ų13557.9 Ų57.972%0.72227%0.274SS*.THydrogen-bonded Turntrans52.343.3174.4-69.4-16.1000113.3R188N186-R188 PolarHBondContact O-N 3.34Å
187R85.8Confident89.4Confident151 Ų15152.5 Ų52.557%0.5724%0.241SC*.THydrogen-bonded Turntrans67.39.5-177.4-51-179.7-177169.90.6115.2R114 L115 Y184 H185R114-R187 CarbonylContact C-O 3.52Å; R114-R187 WeakPolarHBondContact CA-O 3.43Å; L115-R187 PolarHBondContact N-O 3.26Å; Y184-R187 VanDerWaalsContact CE2-CA 3.48Å; Y184-R187 WeakPolarHBondContact OH-CA 3.12Å; H185-R187 VanDerWaalsContact C-N 3.25Å; H185-R187 PolarHBondContact O-N 3.45Å; H185-R187 VanDerWaalsContact O-N 3.17Å
188R89.2Confident89Confident61 Ų6152.5 Ų52.523%0.2324%0.24CC..EExtended strand (participates in β ladder)trans-107.3138.8177.6-164.1-173.8-176.2147.110109.9S46 D113 R114 Y184 H185 N186S46-R188 PolarHBondContact O-NH2 3.23Å; S46-R188 PolarHBondContact OG-NH2 3.42Å; D113-R188 WeakPolarHBondContact O-CA 3.36Å; R114-R188 HydrophobicContact CG-CB 4.47Å; R114-R188 HydrophobicContact CG-CG 4.32Å; Y184-R188 CarbonylContact C-O 3.55Å; Y184-R188 WeakPolarHBondContact CA-O 3.45Å; Y184-R188 WeakPolarHBondContact CD2-O 3.35Å; H185-R188 PolarHBondContact N-O 2.77Å; H185-R188 WeakPolarHBondContact O-CA 3.15Å; H185-R188 VanDerWaalsContact O-CB 3.29Å; H185-R188 WeakPolarHBondContact O-CB 3.27Å; H185-R188 PolarHBondContact O-N 3.07Å; N186-R188 PolarHBondContact O-N 3.34Å
189L90.6Very high88Confident2 Ų245.8 Ų45.81%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-86.7140.8166.5-67.271.8000107.7V48 T52 A54 L65 L112 D113 L115 T183 Y184V48-L189 HydrophobicContact CB-CB 4.5Å; V48-L189 HydrophobicContact CG1-CB 3.87Å; V48-L189 HydrophobicContact CG1-CD2 4.17Å; V48-L189 HydrophobicContact CG2-CB 3.76Å; V48-L189 WeakPolarHBondContact CG2-O 3.49Å; T52-L189 HydrophobicContact CG2-CD2 3.93Å; A54-L189 HydrophobicContact CB-CD2 4.31Å; L65-L189 HydrophobicContact CD2-CD2 3.99Å; L65-L189 HydrophobicContact CD2-CG 4.01Å; L112-L189 HydrophobicContact CD1-CD1 3.77Å; D113-L189 PolarHBondContact O-N 3.07Å; L115-L189 HydrophobicContact CD1-CD1 4.41Å; L115-L189 HydrophobicContact CG-CD1 3.99Å; T183-L189 WeakPolarHBondContact O-CA 3.17Å; Y184-L189 HydrophobicContact CD2-CD1 4.16Å; Y184-L189 HydrophobicContact CD2-CG 4.4Å; Y184-L189 HydrophobicContact CE2-CD1 4.41Å
190D88.4Confident86.7Confident55 Ų5554 Ų5429%0.29425%0.252SS..EExtended strand (participates in β ladder)trans-147.7174.3-177.5-153.7-10.3000110.1S182 T183S182-D190 CarbonylContact C-O 3.46Å; S182-D190 VanDerWaalsContact CA-O 3.27Å; S182-D190 WeakPolarHBondContact CA-O 3.38Å; T183-D190 PolarHBondContact N-O 3.43Å; T183-D190 PolarHBondContact O-N 2.91Å
191E88.9Confident85.6Confident27 Ų2758.6 Ų58.613%0.12628%0.277CS..EExtended strand (participates in β ladder)trans-128.3121.2179.3-53.8-67.2162.100109.9L49 T52 F180 S182L49-E191 HydrophobicContact CD1-CB 4.45Å; L49-E191 VanDerWaalsContact CD1-CD 3.49Å; L49-E191 HydrophobicContact CD1-CG 3.54Å; L49-E191 HydrophobicContact CG-CG 3.9Å; T52-E191 PolarHBondContact OG1-OE1 2.89Å; F180-E191 HydrophobicContact CD2-CB 4.44Å; S182-E191 WeakPolarHBondContact CA-OE2 2.91Å; S182-E191 WeakPolarHBondContact CB-OE2 3.32Å; S182-E191 PolarHBondContact N-OE2 2.77Å; S182-E191 PolarHBondContact OG-OE1 2.93Å; S182-E191 PolarHBondContact OG-OE2 3.47Å
192D87.6Confident84.7Confident28 Ų2859 Ų5915%0.1528%0.279CS..EExtended strand (participates in β ladder)trans-100.2128.1174.9-84.8-41.5000110F180 V181 T183 H220 K222F180-D192 CarbonylContact C-O 3.6Å; F180-D192 WeakPolarHBondContact CA-O 3.23Å; F180-D192 WeakPolarHBondContact CB-O 3.2Å; V181-D192 HydrophobicContact CG1-CB 4.33Å; V181-D192 PolarHBondContact N-O 3.22Å; V181-D192 PolarHBondContact O-N 3.2Å; T183-D192 HydrophobicContact CG2-CB 3.99Å; T183-D192 VanDerWaalsContact CG2-OD2 3.32Å; T183-D192 WeakPolarHBondContact CG2-OD2 2.82Å; D192-H220 IonicContact OD2-CE1 2.71Å; D192-K222 IonicContact OD1-NZ 3.68Å; D192-K222 PolarHBondContact OD1-NZ 3.01Å; D192-K222 IonicContact OD2-NZ 3.23Å
193I88.8Confident83.3Confident138 Ų13864.6 Ų64.671%0.70831%0.309SS*.EExtended strand (participates in β ladder)trans-67.1134.1171.7-61.7174.2000108.9
194V89.7Confident82.4Confident6 Ų665.1 Ų65.14%0.03631%0.31CS..EExtended strand (participates in β ladder)trans-125.8147-179.8-62.70000111.7C179 V181 M196 L233C179-V194 HydrophobicContact CB-CG2 3.92Å; C179-V194 PolarHBondContact O-N 3.22Å; V181-V194 HydrophobicContact CB-CG1 4.43Å; V181-V194 HydrophobicContact CG1-CG1 3.68Å; V194-M196 HydrophobicContact CG2-SD 4.37Å; V194-L233 HydrophobicContact CG2-CD1 3.72Å
195R89.2Confident81.1Confident154 Ų15466 Ų6658%0.58133%0.329SS*.EExtended strand (participates in β ladder)trans-98119.8173-58.6-177-144.399.511.2108.6S218 H219 D221R195-S218 CarbonylContact O-C 3.57Å; R195-S218 VanDerWaalsContact O-CA 3.23Å; R195-S218 WeakPolarHBondContact O-CA 3.49Å; R195-S218 VanDerWaalsContact O-CB 3.27Å; R195-S218 WeakPolarHBondContact O-CB 3.5Å; R195-H219 PolarHBondContact O-N 3.14Å; R195-D221 IonicContact CZ-OD2 3.94Å; R195-D221 IonicContact NH1-OD1 2.76Å; R195-D221 IonicContact NH1-OD2 3.96Å; R195-D221 IonicContact NH2-OD2 3.75Å; R195-D221 PolarHBondContact NH2-OD2 3.41Å
196M89.9Confident80.2Confident27 Ų2769 Ų6913%0.13334%0.338CS..EExtended strand (participates in β ladder)trans-67.5142.3-179.3-64.4-52.2-59.800111P173 C179 V194 L216 C217 L233P173-M196 HydrophobicContact CB-CG 4.32Å; P173-M196 HydrophobicContact CG-CE 4.31Å; P173-M196 HydrophobicContact CG-CG 4.39Å; C179-M196 HydrophobicContact CB-CG 4.15Å; C179-M196 HydrophobicContact CB-SD 4.07Å; C179-M196 VanDerWaalsContact SG-CG 3.55Å; V194-M196 HydrophobicContact CG2-SD 4.37Å; M196-L216 HydrophobicContact CE-CB 4.16Å; M196-C217 VanDerWaalsContact CE-O 3.25Å; M196-C217 WeakPolarHBondContact CE-O 3.21Å; M196-L233 HydrophobicContact CE-CD2 3.63Å; M196-L233 HydrophobicContact SD-CD1 3.85Å; M196-L233 HydrophobicContact SD-CD2 3.94Å; M196-L233 HydrophobicContact SD-CG 4.42Å
197V85.4Confident79.6Confident14 Ų1464.5 Ų64.59%0.08531%0.312CS..EExtended strand (participates in β ladder)trans-100.7123.7164.5-179.60000106.1G199 L201 C202 C217 H219 L264V197-G199 PolarHBondContact O-N 3.04Å; V197-L201 HydrophobicContact CG1-CB 4.19Å; V197-C202 HydrophobicContact CG1-CB 4.4Å; V197-C217 HydrophobicContact CB-CB 4.08Å; V197-C217 PolarHBondContact N-O 2.84Å; V197-H219 VanDerWaalsContact CG2-CD2 3.42Å; V197-H219 WeakPolarHBondContact CG2-CD2 3.38Å; V197-H219 WeakPolarHBondContact CG2-NE2 3.29Å; V197-L264 HydrophobicContact CG2-CD2 4.08Å
198P76.3Confident79.1Confident19 Ų1961.5 Ų61.512%0.12331%0.312CS..PPolyproline II helixtrans-51.7133.6175.7-27.534.6000110.4F200 L201 C202P198-F200 HydrophobicContact CB-CD1 3.7Å; P198-F200 HydrophobicContact CB-CE1 3.35Å; P198-F200 HydrophobicContact CB-CZ 4.03Å; P198-F200 HydrophobicContact CG-CE1 4.29Å; P198-F200 PolarHBondContact O-N 2.72Å; P198-F200 VanDerWaalsContact O-N 3.11Å; P198-L201 HydrophobicContact CB-CB 4.24Å; P198-L201 HydrophobicContact CB-CD1 4.14Å; P198-L201 HydrophobicContact CB-CG 4.15Å; P198-L201 HydrophobicContact CG-CD1 3.92Å; P198-L201 HydrophobicContact CG-CG 4.46Å; P198-L201 CarbonylContact O-C 3.52Å; P198-L201 VanDerWaalsContact O-CA 3.32Å; P198-L201 WeakPolarHBondContact O-CA 3.46Å; P198-L201 WeakPolarHBondContact O-CB 3.28Å; P198-L201 PolarHBondContact O-N 2.93Å; P198-C202 PolarHBondContact O-N 2.93Å
199G69.3Low78.5Confident19 Ų1961 Ų6120%0.19631%0.312CS..G310 helixtrans-56.5-34.4-171.800000113.7V197 L201 C202V197-G199 PolarHBondContact O-N 3.04Å; G199-L201 VanDerWaalsContact C-N 3.27Å; G199-L201 PolarHBondContact O-N 2.91Å; G199-C202 PolarHBondContact O-N 3.07Å
200F66.3Low78Confident172 Ų17261 Ų6175%0.75431%0.312SS*.G310 helixtrans-70.5-21.717572.9-87.9000113.7P198P198-F200 HydrophobicContact CB-CD1 3.7Å; P198-F200 HydrophobicContact CB-CE1 3.35Å; P198-F200 HydrophobicContact CB-CZ 4.03Å; P198-F200 HydrophobicContact CG-CE1 4.29Å; P198-F200 PolarHBondContact O-N 2.72Å; P198-F200 VanDerWaalsContact O-N 3.11Å
201L68Low77.5Confident99 Ų9961.6 Ų61.652%0.51832%0.324SS..G310 helixtrans-96.7-4.2173.7-62-178.3000112.8V197 P198 G199 N203V197-L201 HydrophobicContact CG1-CB 4.19Å; P198-L201 HydrophobicContact CB-CB 4.24Å; P198-L201 HydrophobicContact CB-CD1 4.14Å; P198-L201 HydrophobicContact CB-CG 4.15Å; P198-L201 HydrophobicContact CG-CD1 3.92Å; P198-L201 HydrophobicContact CG-CG 4.46Å; P198-L201 CarbonylContact O-C 3.52Å; P198-L201 VanDerWaalsContact O-CA 3.32Å; P198-L201 WeakPolarHBondContact O-CA 3.46Å; P198-L201 WeakPolarHBondContact O-CB 3.28Å; P198-L201 PolarHBondContact O-N 2.93Å; G199-L201 VanDerWaalsContact C-N 3.27Å; G199-L201 PolarHBondContact O-N 2.91Å; L201-N203 PolarHBondContact O-N 2.8Å
202C74.3Confident77.1Confident7 Ų769.2 Ų69.25%0.04736%0.357CS..  trans-68.194.3171.2-166.40000107.3V197 P198 G199 F204 C217V197-C202 HydrophobicContact CG1-CB 4.4Å; P198-C202 PolarHBondContact O-N 2.93Å; G199-C202 PolarHBondContact O-N 3.07Å; C202-F204 HydrophobicContact CB-CD2 4.43Å; C202-F204 HydrophobicContact CB-CE1 4.05Å; C202-F204 HydrophobicContact CB-CE2 3.83Å; C202-F204 HydrophobicContact CB-CZ 3.62Å; C202-F204 WeakPolarHBondContact O-CD2 3.23Å; C202-F204 WeakPolarHBondContact O-CE2 3.24Å; C202-F204 PolarHBondContact O-N 2.82Å; C202-F204 WeakPolarHBondContact SG-CE1 3.24Å; C202-F204 VanDerWaalsContact SG-CZ 3.52Å; C202-C217 HydrophobicContact CB-CB 3.72Å; C202-C217 WeakPolarHBondContact CB-SG 3.28Å; C202-C217 WeakPolarHBondContact SG-CB 3.48Å; C202-C217 CovalentContact SG-SG 2.03Å; C202-C217 PolarHBondContact SG-SG 3.24Å
203N64.9Low76.7Confident119 Ų11968.5 Ų68.564%0.63635%0.354SS*.  trans-70.684.8179-175.6-3.4000107.4L201 G205L201-N203 PolarHBondContact O-N 2.8Å; N203-G205 PolarHBondContact O-N 3.38Å; N203-G205 VanDerWaalsContact O-N 3.15Å; N203-G205 WeakPolarHBondContact OD1-CA 3.37Å; N203-G205 PolarHBondContact OD1-N 2.94Å; N203-G205 VanDerWaalsContact OD1-N 3.11Å
204F71.6Confident76.5Confident23 Ų2368.2 Ų68.210%0.10135%0.348CS..  trans-63.9-17.3178.1-64.6-67.5000111.3C202 R206 F207 L210 A211 C217 L251 F266C202-F204 HydrophobicContact CB-CD2 4.43Å; C202-F204 HydrophobicContact CB-CE1 4.05Å; C202-F204 HydrophobicContact CB-CE2 3.83Å; C202-F204 HydrophobicContact CB-CZ 3.62Å; C202-F204 WeakPolarHBondContact O-CD2 3.23Å; C202-F204 WeakPolarHBondContact O-CE2 3.24Å; C202-F204 PolarHBondContact O-N 2.82Å; C202-F204 WeakPolarHBondContact SG-CE1 3.24Å; C202-F204 VanDerWaalsContact SG-CZ 3.52Å; F204-R206 CarbonylContact O-C 3.39Å; F204-R206 PolarHBondContact O-N 3.08Å; F204-F207 HydrophobicContact CB-CB 4.45Å; F204-F207 WeakPolarHBondContact CB-O 3.18Å; F204-F207 WeakPolarHBondContact O-CA 3.12Å; F204-F207 WeakPolarHBondContact O-CB 3.31Å; F204-F207 PolarHBondContact O-N 3.45Å; F204-L210 HydrophobicContact CB-CB 4.41Å; F204-L210 HydrophobicContact CD1-CB 3.61Å; F204-L210 HydrophobicContact CD1-CD1 3.99Å; F204-L210 HydrophobicContact CD1-CG 4.45Å; F204-L210 HydrophobicContact CE1-CB 3.94Å; F204-L210 HydrophobicContact CE1-CD1 4.38Å; F204-L210 HydrophobicContact CG-CB 3.93Å; F204-A211 HydrophobicContact CD2-CB 4.28Å; F204-C217 WeakPolarHBondContact CE1-SG 3.22Å; F204-L251 HydrophobicContact CD1-CD1 4.02Å; F204-L251 HydrophobicContact CE1-CD1 4.18Å; F204-F266 AromaticContact CE1-CD2 3.8Å; F204-F266 HydrophobicContact CE1-CD2 3.8Å; F204-F266 AromaticContact CE1-CE2 3.7Å; F204-F266 HydrophobicContact CE1-CE2 3.7Å; F204-F266 HydrophobicContact CZ-CE2 4.13Å
205G66.1Low76.4Confident52 Ų5268.3 Ų68.354%0.53635%0.35SS..THydrogen-bonded Turntrans41.6-90.2168.400000114N203 F207N203-G205 PolarHBondContact O-N 3.38Å; N203-G205 VanDerWaalsContact O-N 3.15Å; N203-G205 WeakPolarHBondContact OD1-CA 3.37Å; N203-G205 PolarHBondContact OD1-N 2.94Å; N203-G205 VanDerWaalsContact OD1-N 3.11Å; G205-F207 VanDerWaalsContact C-N 3.26Å; G205-F207 PolarHBondContact O-N 2.83Å
206R68.3Low76.5Confident142 Ų14261.2 Ų61.254%0.53632%0.323SS..THydrogen-bonded Turntrans-72.4-9.7178.7-64.9-179.6171.6-145.6-17.4115.6F204 P208F204-R206 CarbonylContact O-C 3.39Å; F204-R206 PolarHBondContact O-N 3.08Å; R206-P208 WeakPolarHBondContact O-CD 3.26Å
207F72.4Confident76.6Confident39 Ų3959.9 Ų59.917%0.17132%0.317CS..  trans-126.652.5-175.4-49.9-75.1000110.5F204 G205 E209 L210 L251F204-F207 HydrophobicContact CB-CB 4.45Å; F204-F207 WeakPolarHBondContact CB-O 3.18Å; F204-F207 WeakPolarHBondContact O-CA 3.12Å; F204-F207 WeakPolarHBondContact O-CB 3.31Å; F204-F207 PolarHBondContact O-N 3.45Å; G205-F207 VanDerWaalsContact C-N 3.26Å; G205-F207 PolarHBondContact O-N 2.83Å; F207-E209 WeakPolarHBondContact CA-OE2 3.26Å; F207-E209 PolarHBondContact O-N 2.94Å; F207-L210 HydrophobicContact CB-CB 4.38Å; F207-L210 HydrophobicContact CB-CD1 3.56Å; F207-L210 HydrophobicContact CB-CG 3.77Å; F207-L210 HydrophobicContact CG-CD1 4.1Å; F207-L210 WeakPolarHBondContact O-CB 3.23Å; F207-L210 PolarHBondContact O-N 2.79Å; F207-L251 HydrophobicContact CD2-CB 4.49Å; F207-L251 HydrophobicContact CD2-CD2 3.96Å; F207-L251 HydrophobicContact CE2-CB 4.13Å; F207-L251 HydrophobicContact CE2-CD2 3.91Å; F207-L251 HydrophobicContact CG-CD2 4.41Å; F207-L251 HydrophobicContact CZ-CD2 4.33Å
208P76.4Confident76.8Confident88 Ų8859.2 Ų59.257%0.57131%0.313SS*.G310 helixtrans-56.9-25-176.326.8-36.1000112.9R206 L210 A211R206-P208 WeakPolarHBondContact O-CD 3.26Å; P208-L210 PolarHBondContact O-N 3.19Å; P208-A211 VanDerWaalsContact O-CB 3.28Å; P208-A211 WeakPolarHBondContact O-CB 3.04Å; P208-A211 PolarHBondContact O-N 3.48Å
209E75.4Confident77.2Confident52 Ų5261.8 Ų61.824%0.24332%0.323CS..G310 helixtrans-62.1-26.6174.171.6-81.3-166.300113.4T137 F207 A211T137-E209 VanDerWaalsContact OG1-CG 3.23Å; T137-E209 WeakPolarHBondContact OG1-CG 3.45Å; T137-E209 PolarHBondContact OG1-OE1 2.89Å; F207-E209 WeakPolarHBondContact CA-OE2 3.26Å; F207-E209 PolarHBondContact O-N 2.94Å; E209-A211 VanDerWaalsContact C-N 3.28Å; E209-A211 PolarHBondContact O-N 2.85Å
210L80.7Confident77.6Confident1 Ų161.8 Ų61.81%0.00532%0.318CS..G310 helixtrans-72.7-21.9178-61.2-176.8000112.7T137 I142 F204 F207 P208 K212 T213 L251 F266T137-L210 HydrophobicContact CG2-CD2 4.24Å; I142-L210 HydrophobicContact CD1-CD1 3.75Å; I142-L210 HydrophobicContact CD1-CD2 4.05Å; I142-L210 HydrophobicContact CG2-CD2 3.73Å; F204-L210 HydrophobicContact CB-CB 4.41Å; F204-L210 HydrophobicContact CD1-CB 3.61Å; F204-L210 HydrophobicContact CD1-CD1 3.99Å; F204-L210 HydrophobicContact CD1-CG 4.45Å; F204-L210 HydrophobicContact CE1-CB 3.94Å; F204-L210 HydrophobicContact CE1-CD1 4.38Å; F204-L210 HydrophobicContact CG-CB 3.93Å; F207-L210 HydrophobicContact CB-CB 4.38Å; F207-L210 HydrophobicContact CB-CD1 3.56Å; F207-L210 HydrophobicContact CB-CG 3.77Å; F207-L210 HydrophobicContact CG-CD1 4.1Å; F207-L210 WeakPolarHBondContact O-CB 3.23Å; F207-L210 PolarHBondContact O-N 2.79Å; P208-L210 PolarHBondContact O-N 3.19Å; L210-K212 PolarHBondContact O-N 3.5Å; L210-K212 VanDerWaalsContact O-N 3.07Å; L210-T213 HydrophobicContact CD2-CG2 4.14Å; L210-T213 WeakPolarHBondContact O-CB 3.41Å; L210-T213 PolarHBondContact O-N 2.61Å; L210-T213 PolarHBondContact O-OG1 3.27Å; L210-L251 HydrophobicContact CD1-CD1 4.04Å; L210-L251 HydrophobicContact CD1-CD2 3.86Å; L210-F266 HydrophobicContact CB-CE2 4.4Å; L210-F266 HydrophobicContact CD1-CD2 4.31Å; L210-F266 HydrophobicContact CD1-CE2 4.27Å; L210-F266 HydrophobicContact CD2-CZ 4.24Å
211A78.5Confident77.7Confident67 Ų6759.8 Ų59.855%0.55432%0.315SS*.G310 helixtrans-57.8-27.4178.100000112.4F204 P208 E209F204-A211 HydrophobicContact CD2-CB 4.28Å; P208-A211 VanDerWaalsContact O-CB 3.28Å; P208-A211 WeakPolarHBondContact O-CB 3.04Å; P208-A211 PolarHBondContact O-N 3.48Å; E209-A211 VanDerWaalsContact C-N 3.28Å; E209-A211 PolarHBondContact O-N 2.85Å
212K79.9Confident77.7Confident188 Ų18860.3 Ų60.382%0.81731%0.313SS*.G310 helixtrans-86.2-13.5179.3-62.9-177.7-178.4178.20114L210 K214L210-K212 PolarHBondContact O-N 3.5Å; L210-K212 VanDerWaalsContact O-N 3.07Å; K212-K214 VanDerWaalsContact C-N 3.29Å; K212-K214 PolarHBondContact O-N 3.09Å
213T79.1Confident77.2Confident13 Ų1365.6 Ų65.68%0.0835%0.345CS..THydrogen-bonded Turntrans-77.9-13.4-172.564.70000113.8Y135 L210 G215 F266Y135-T213 HydrophobicContact CD1-CG2 3.72Å; Y135-T213 HydrophobicContact CE1-CG2 4.26Å; Y135-T213 HydrophobicContact CG-CG2 3.99Å; L210-T213 HydrophobicContact CD2-CG2 4.14Å; L210-T213 WeakPolarHBondContact O-CB 3.41Å; L210-T213 PolarHBondContact O-N 2.61Å; L210-T213 PolarHBondContact O-OG1 3.27Å; T213-G215 PolarHBondContact O-N 2.61Å; T213-G215 PolarHBondContact OG1-N 3.17Å; T213-F266 WeakPolarHBondContact OG1-CZ 3.38Å
214K84.5Confident77.3Confident132 Ų13263.5 Ų63.557%0.57433%0.331SS*.THydrogen-bonded Turntrans54.330.9-170.9-54.7-179.3179.7-178.50112.6Y170 K212 H269Y170-K214 HydrophobicContact CD1-CB 3.57Å; Y170-K214 HydrophobicContact CD1-CD 3.72Å; Y170-K214 HydrophobicContact CD1-CG 4.3Å; Y170-K214 HydrophobicContact CD2-CD 4.09Å; Y170-K214 HydrophobicContact CE1-CB 3.85Å; Y170-K214 HydrophobicContact CE1-CD 3.92Å; Y170-K214 HydrophobicContact CE1-CG 4.48Å; Y170-K214 HydrophobicContact CE2-CD 4.29Å; Y170-K214 HydrophobicContact CG-CB 4.36Å; Y170-K214 HydrophobicContact CG-CD 3.8Å; K212-K214 VanDerWaalsContact C-N 3.29Å; K212-K214 PolarHBondContact O-N 3.09Å; K214-H269 WeakPolarHBondContact O-CB 3.16Å
215G88.6Confident77.1Confident8 Ų863.1 Ų63.18%0.08233%0.332CS..  trans-69173.9174.200000112.7T213 Y267T213-G215 PolarHBondContact O-N 2.61Å; T213-G215 PolarHBondContact OG1-N 3.17Å; G215-Y267 CarbonylContact C-O 3.53Å; G215-Y267 VanDerWaalsContact CA-O 3.25Å; G215-Y267 WeakPolarHBondContact CA-O 3.47Å
216L91.2Very high77.2Confident4 Ų469 Ų692%0.02135%0.346CS..EExtended strand (participates in β ladder)trans-119.8157.1178.6-56.3167000109.6I172 M196 L233 Y267I172-L216 HydrophobicContact CG1-CD2 4.15Å; I172-L216 HydrophobicContact CG2-CD2 4.26Å; M196-L216 HydrophobicContact CE-CB 4.16Å; L216-L233 HydrophobicContact CB-CD2 4.25Å; L216-L233 HydrophobicContact CD1-CD2 3.84Å; L216-Y267 PolarHBondContact N-O 2.89Å; L216-Y267 PolarHBondContact O-N 3.45Å
217C90.3Very high78.1Confident0 Ų064.9 Ų64.90%033%0.332CS..EExtended strand (participates in β ladder)trans-132.7149.4178.6-580000111.5M196 V197 C202 F204 H265M196-C217 VanDerWaalsContact CE-O 3.25Å; M196-C217 WeakPolarHBondContact CE-O 3.21Å; V197-C217 HydrophobicContact CB-CB 4.08Å; V197-C217 PolarHBondContact N-O 2.84Å; C202-C217 HydrophobicContact CB-CB 3.72Å; C202-C217 WeakPolarHBondContact CB-SG 3.28Å; C202-C217 WeakPolarHBondContact SG-CB 3.48Å; C202-C217 CovalentContact SG-SG 2.03Å; C202-C217 PolarHBondContact SG-SG 3.24Å; F204-C217 WeakPolarHBondContact CE1-SG 3.22Å; C217-H265 VanDerWaalsContact CA-O 3.23Å; C217-H265 WeakPolarHBondContact CA-O 3.17Å
218S90Very high79Confident0 Ų063.1 Ų63.10%033%0.325CS..EExtended strand (participates in β ladder)trans-137.9154.5169.474.80000110.6R195 L264 H265 Y267R195-S218 CarbonylContact O-C 3.57Å; R195-S218 VanDerWaalsContact O-CA 3.23Å; R195-S218 WeakPolarHBondContact O-CA 3.49Å; R195-S218 VanDerWaalsContact O-CB 3.27Å; R195-S218 WeakPolarHBondContact O-CB 3.5Å; S218-L264 WeakPolarHBondContact O-CA 3.39Å; S218-H265 PolarHBondContact N-O 2.97Å; S218-H265 VanDerWaalsContact N-O 3.11Å; S218-H265 PolarHBondContact O-N 3.44Å; S218-Y267 VanDerWaalsContact OG-CE2 3.28Å; S218-Y267 WeakPolarHBondContact OG-CE2 3.45Å; S218-Y267 PolarHBondContact OG-OH 2.88Å
219H85.2Confident79.9Confident73 Ų7360.3 Ų60.334%0.33831%0.305SS..EExtended strand (participates in β ladder)trans-72139.6167.3-70.6-76.6000109.6R195 V197R195-H219 PolarHBondContact O-N 3.14Å; V197-H219 VanDerWaalsContact CG2-CD2 3.42Å; V197-H219 WeakPolarHBondContact CG2-CD2 3.38Å; V197-H219 WeakPolarHBondContact CG2-NE2 3.29Å
220H77.4Confident80.9Confident19 Ų1957.9 Ų57.99%0.08829%0.293CS..  trans-135.6126.2170.5-164.359.7000111.1D192 K222 H265D192-H220 IonicContact OD2-CE1 2.71Å; H220-K222 VanDerWaalsContact C-N 3.33Å; H220-K222 PolarHBondContact CD2-O 2.71Å; H220-H265 WeakPolarHBondContact CB-NE2 3.41Å; H220-H265 AromaticContact CD2-CD2 3.99Å; H220-H265 AromaticContact CD2-CE1 2.99Å; H220-H265 PolarHBondContact CD2-CE1 3.25Å; H220-H265 AromaticContact CD2-ND1 3.95Å; H220-H265 AromaticContact CD2-NE2 3Å; H220-H265 PolarHBondContact CD2-NE2 2.66Å; H220-H265 AromaticContact CE1-CE1 3.86Å; H220-H265 AromaticContact CG-CE1 3.19Å; H220-H265 AromaticContact CG-ND1 3.71Å; H220-H265 AromaticContact CG-NE2 3.39Å; H220-H265 AromaticContact ND1-CE1 3.72Å; H220-H265 AromaticContact NE2-CE1 3.47Å; H220-H265 PolarHBondContact NE2-CE1 3.17Å; H220-H265 AromaticContact NE2-NE2 3.85Å
221D68.6Low81.7Confident129 Ų12957.8 Ų57.869%0.6929%0.293SS*.SBendtrans-84.7-8.5-174.6-60.9-29.4000112R195R195-D221 IonicContact CZ-OD2 3.94Å; R195-D221 IonicContact NH1-OD1 2.76Å; R195-D221 IonicContact NH1-OD2 3.96Å; R195-D221 IonicContact NH2-OD2 3.75Å; R195-D221 PolarHBondContact NH2-OD2 3.41Å
222K67.5Low82.6Confident111 Ų11154.6 Ų54.648%0.48327%0.266SS..SBendtrans-114.4152.3-179.2-56.8173.7-173.3162.40111D192 H220 E224D192-K222 IonicContact OD1-NZ 3.68Å; D192-K222 PolarHBondContact OD1-NZ 3.01Å; D192-K222 IonicContact OD2-NZ 3.23Å; H220-K222 VanDerWaalsContact C-N 3.33Å; H220-K222 PolarHBondContact CD2-O 2.71Å; K222-E224 PolarHBondContact O-N 3.4Å
223T64.7Low83.3Confident117 Ų11745.7 Ų45.772%0.71823%0.228SC*.  trans-97.629.6-175.456.80000113.7A225T223-A225 PolarHBondContact O-N 2.86Å
224E66.4Low84.1Confident75 Ų7545 Ų4535%0.3522%0.224SC..  trans-102.839.7-168.7-65.2-146.1143.700114.2H185 K222 E226 K227H185-E224 IonicContact CG-OE2 2.79Å; H185-E224 IonicContact ND1-OE2 3.75Å; K222-E224 PolarHBondContact O-N 3.4Å; E224-E226 PolarHBondContact O-N 2.89Å; E224-K227 HydrophobicContact CB-CD 4.19Å; E224-K227 WeakPolarHBondContact O-CB 3.29Å; E224-K227 PolarHBondContact O-N 2.95Å; E224-K227 IonicContact OE1-NZ 3.53Å; E224-K227 PolarHBondContact OE1-NZ 3.29Å; E224-K227 VanDerWaalsContact OE2-CD 3.27Å; E224-K227 WeakPolarHBondContact OE2-CD 3.44Å; E224-K227 IonicContact OE2-NZ 3.94Å; E224-K227 PolarHBondContact OE2-NZ 3.26Å
225A67.2Low84.6Confident15 Ų1538.8 Ų38.812%0.12420%0.197CC..G310 helixtrans-46.3-48.3-175.600000116.6T223 K227 S228 Y247 E250T223-A225 PolarHBondContact O-N 2.86Å; A225-K227 PolarHBondContact O-N 3.23Å; A225-S228 PolarHBondContact O-N 3.42Å; A225-S228 VanDerWaalsContact O-N 3.13Å; A225-Y247 WeakPolarHBondContact CA-OH 3.42Å; A225-Y247 WeakPolarHBondContact CB-OH 3.42Å; A225-Y247 WeakPolarHBondContact O-CE1 3.4Å; A225-Y247 PolarHBondContact O-OH 3.46Å; A225-E250 HydrophobicContact CB-CB 3.58Å; A225-E250 HydrophobicContact CB-CG 4.5Å; A225-E250 WeakPolarHBondContact CB-OE2 3.39Å
226E69.7Low84.7Confident175 Ų17540.2 Ų40.282%0.81820%0.202SC*.G310 helixtrans-63.1-28.7-173.2-68-169.7162.800112.9E224 S228 L229E224-E226 PolarHBondContact O-N 2.89Å; E226-S228 PolarHBondContact O-N 2.75Å; E226-L229 WeakPolarHBondContact O-CB 3.1Å; E226-L229 PolarHBondContact O-N 2.75Å
227K85.5Confident84.6Confident57 Ų5742.8 Ų42.825%0.24822%0.216CC..G310 helixtrans-73.8-13.3-178.3-72.7170.4172.2172.20112.9Y184 H185 E224 A225Y184-K227 WeakPolarHBondContact CB-O 3.43Å; Y184-K227 PolarHBondContact N-O 2.91Å; Y184-K227 WeakPolarHBondContact O-CB 3.29Å; Y184-K227 WeakPolarHBondContact O-CD 3.34Å; Y184-K227 WeakPolarHBondContact O-CG 3.46Å; H185-K227 HydrophobicContact CB-CD 4.48Å; H185-K227 PolarHBondContact CD2-NZ 3.38Å; H185-K227 PolarHBondContact NE2-NZ 3.47Å; E224-K227 HydrophobicContact CB-CD 4.19Å; E224-K227 WeakPolarHBondContact O-CB 3.29Å; E224-K227 PolarHBondContact O-N 2.95Å; E224-K227 IonicContact OE1-NZ 3.53Å; E224-K227 PolarHBondContact OE1-NZ 3.29Å; E224-K227 VanDerWaalsContact OE2-CD 3.27Å; E224-K227 WeakPolarHBondContact OE2-CD 3.44Å; E224-K227 IonicContact OE2-NZ 3.94Å; E224-K227 PolarHBondContact OE2-NZ 3.26Å; A225-K227 PolarHBondContact O-N 3.23Å
228S93Very high84.4Confident2 Ų250.5 Ų50.51%0.01426%0.257CS..G310 helixtrans-101.4-1.9179-53.10000112.6T183 A225 E226 G230 G231 Y247T183-S228 WeakPolarHBondContact CG2-OG 3.04Å; A225-S228 PolarHBondContact O-N 3.42Å; A225-S228 VanDerWaalsContact O-N 3.13Å; E226-S228 PolarHBondContact O-N 2.75Å; S228-G230 PolarHBondContact O-N 3.39Å; S228-G231 WeakPolarHBondContact O-CA 3.35Å; S228-G231 PolarHBondContact O-N 2.82Å; S228-Y247 WeakPolarHBondContact O-CB 3.43Å; S228-Y247 WeakPolarHBondContact O-CD1 3.23Å
229L94.8Very high84.2Confident29 Ų2953.4 Ų53.415%0.15229%0.287CS..THydrogen-bonded Turntrans-52.6123.1-175.8-172.864.2000112C64 L65 A88 E226 G231 L248C64-L229 WeakPolarHBondContact CA-O 3.34Å; C64-L229 VanDerWaalsContact CB-O 3.29Å; C64-L229 WeakPolarHBondContact CB-O 3.38Å; C64-L229 VanDerWaalsContact SG-CD2 3.58Å; L65-L229 PolarHBondContact N-O 2.92Å; A88-L229 HydrophobicContact CB-CD1 3.94Å; A88-L229 HydrophobicContact CB-CG 4.27Å; E226-L229 WeakPolarHBondContact O-CB 3.1Å; E226-L229 PolarHBondContact O-N 2.75Å; L229-G231 PolarHBondContact O-N 2.69Å; L229-L248 WeakPolarHBondContact CD1-O 3.27Å
230G96.7Very high84.5Confident0 Ų051 Ų510%028%0.275CS..THydrogen-bonded Turntrans79.3-4.6-177.300000115L65 G66 S228 Y247L65-G230 CarbonylContact C-O 3.48Å; L65-G230 CarbonylContact O-C 3.56Å; G66-G230 WeakPolarHBondContact CA-O 3.41Å; S228-G230 PolarHBondContact O-N 3.39Å; G230-Y247 PolarHBondContact N-O 2.91Å
231G96.1Very high85.3Confident0 Ų050.1 Ų50.10%027%0.271CS..  trans-62.4139.3177.600000111.9S228 L229 Y247S228-G231 WeakPolarHBondContact O-CA 3.35Å; S228-G231 PolarHBondContact O-N 2.82Å; L229-G231 PolarHBondContact O-N 2.69Å; G231-Y247 PolarHBondContact O-N 3.41Å
232P97.2Very high86.6Confident0 Ų046.2 Ų46.20%025%0.247CC..EExtended strand (participates in β ladder)trans-72.8137.2-18032.6-37.7000111.2V181 S182 V234 Q243V181-P232 WeakPolarHBondContact CA-O 3.41Å; S182-P232 WeakPolarHBondContact OG-CD 3.5Å; S182-P232 WeakPolarHBondContact OG-CG 3.39Å; P232-V234 HydrophobicContact CB-CG2 3.75Å; P232-V234 HydrophobicContact CG-CG2 4.09Å; P232-Q243 HydrophobicContact CB-CG 3.93Å
233L95.8Very high88Confident0 Ų041 Ų410%022%0.224CC..EExtended strand (participates in β ladder)trans-87.6110.4161.7174.467.3000108.2C179 V194 M196 L216 Q243 Y244 G245 Y267C179-L233 HydrophobicContact CB-CD1 4.25Å; V194-L233 HydrophobicContact CG2-CD1 3.72Å; M196-L233 HydrophobicContact CE-CD2 3.63Å; M196-L233 HydrophobicContact SD-CD1 3.85Å; M196-L233 HydrophobicContact SD-CD2 3.94Å; M196-L233 HydrophobicContact SD-CG 4.42Å; L216-L233 HydrophobicContact CB-CD2 4.25Å; L216-L233 HydrophobicContact CD1-CD2 3.84Å; L233-Q243 CarbonylContact O-C 3.55Å; L233-Q243 WeakPolarHBondContact O-CA 3.18Å; L233-Y244 PolarHBondContact O-N 2.93Å; L233-G245 PolarHBondContact N-O 3.04Å; L233-G245 PolarHBondContact O-N 2.85Å; L233-Y267 HydrophobicContact CB-CD1 3.55Å; L233-Y267 HydrophobicContact CB-CE1 3.75Å; L233-Y267 HydrophobicContact CB-CG 4.12Å; L233-Y267 HydrophobicContact CD1-CE1 4.12Å; L233-Y267 HydrophobicContact CD1-CE2 4.45Å; L233-Y267 HydrophobicContact CD2-CD1 4.19Å; L233-Y267 HydrophobicContact CD2-CD2 4.01Å; L233-Y267 HydrophobicContact CD2-CE1 4.5Å; L233-Y267 HydrophobicContact CD2-CE2 4.36Å; L233-Y267 HydrophobicContact CD2-CG 3.92Å; L233-Y267 HydrophobicContact CG-CD1 4.31Å; L233-Y267 HydrophobicContact CG-CE1 4.33Å
234V95.9Very high89.4Confident0 Ų035.8 Ų35.80%019%0.192CC..EExtended strand (participates in β ladder)trans-119.7136.9-175.6-178.30000109.7W51 V164 C179 F180 P232 A241 Y242 Q243W51-V234 HydrophobicContact CZ2-CG1 4.17Å; V164-V234 HydrophobicContact CG2-CG1 3.88Å; V164-V234 HydrophobicContact CG2-CG2 4.08Å; C179-V234 CarbonylContact C-O 3.49Å; C179-V234 WeakPolarHBondContact CA-O 3.41Å; F180-V234 HydrophobicContact CD2-CB 4.07Å; F180-V234 HydrophobicContact CE1-CB 4.24Å; F180-V234 HydrophobicContact CE1-CG1 4.06Å; F180-V234 HydrophobicContact CE2-CB 3.39Å; F180-V234 HydrophobicContact CE2-CG1 3.72Å; F180-V234 HydrophobicContact CE2-CG2 4.03Å; F180-V234 HydrophobicContact CZ-CB 3.51Å; F180-V234 HydrophobicContact CZ-CG1 3.31Å; F180-V234 HydrophobicContact CZ-CG2 4.48Å; F180-V234 PolarHBondContact N-O 3.35Å; F180-V234 PolarHBondContact O-N 3.35Å; P232-V234 HydrophobicContact CB-CG2 3.75Å; P232-V234 HydrophobicContact CG-CG2 4.09Å; V234-A241 HydrophobicContact CG1-CB 3.68Å; V234-Y242 CarbonylContact C-O 3.4Å; V234-Y242 VanDerWaalsContact CA-O 3.29Å; V234-Y242 WeakPolarHBondContact CA-O 3.45Å; V234-Q243 HydrophobicContact CG2-CB 4.24Å; V234-Q243 HydrophobicContact CG2-CG 4.39Å
235C94.4Very high90.8Very high1 Ų132.2 Ų32.21%0.00718%0.175CC..EExtended strand (participates in β ladder)trans-126.2145.9176.4-53.20000110.9P173 K178 C179 Y242 Y244P173-C235 HydrophobicContact CB-CB 4.29Å; P173-C235 VanDerWaalsContact CB-SG 3.58Å; P173-C235 WeakPolarHBondContact CG-SG 3.48Å; K178-C235 WeakPolarHBondContact O-CA 3.25Å; C179-C235 HydrophobicContact CB-CB 4.07Å; C179-C235 WeakPolarHBondContact CB-SG 3.3Å; C179-C235 WeakPolarHBondContact SG-CB 3.16Å; C179-C235 CovalentContact SG-SG 2.04Å; C179-C235 PolarHBondContact SG-SG 2.85Å; C235-Y242 PolarHBondContact N-O 3.08Å; C235-Y242 PolarHBondContact O-N 3.43Å; C235-Y244 HydrophobicContact CB-CD2 3.99Å; C235-Y244 HydrophobicContact CB-CE2 3.76Å
236L92.1Very high92.2Very high37 Ų3731.5 Ų31.519%0.19417%0.169CC..EExtended strand (participates in β ladder)trans-85.8128.4176.9-58.3-170.8000111.4I38 L42 K178 F180 K240 A241I38-L236 HydrophobicContact CD1-CD2 4.19Å; I38-L236 HydrophobicContact CG2-CD1 4.21Å; I38-L236 HydrophobicContact CG2-CD2 3.58Å; L42-L236 HydrophobicContact CD1-CD1 3.49Å; L42-L236 VanDerWaalsContact CD1-CD1 3.49Å; L42-L236 HydrophobicContact CD1-CG 4.3Å; K178-L236 PolarHBondContact O-N 2.85Å; F180-L236 HydrophobicContact CE1-CD2 3.97Å; F180-L236 HydrophobicContact CE1-CG 4.24Å; F180-L236 HydrophobicContact CZ-CD2 4.49Å; L236-K240 WeakPolarHBondContact CA-O 3.44Å; L236-A241 HydrophobicContact CD2-CB 4.07Å
237L89.1Confident93.5Very high58 Ų5823.3 Ų23.330%0.30413%0.131SC..EExtended strand (participates in β ladder)trans-131.4119.1172.7-177.466.9000108.2G239 K240 Y242L237-G239 PolarHBondContact O-N 2.72Å; L237-K240 PolarHBondContact N-O 3.49Å; L237-K240 WeakPolarHBondContact O-CB 3.31Å; L237-K240 PolarHBondContact O-N 3.3Å; L237-Y242 HydrophobicContact CB-CD2 3.9Å; L237-Y242 HydrophobicContact CB-CE2 4.02Å; L237-Y242 HydrophobicContact CD2-CE2 4.33Å
238N85.6Confident93.8Very high162 Ų16220.7 Ų20.787%0.86612%0.119SC*.THydrogen-bonded Turntrans5142178.2-57.4-17.5000113.6K240N238-K240 VanDerWaalsContact C-N 3.3Å; N238-K240 PolarHBondContact O-N 3.47Å
239G85.5Confident93.7Very high61 Ų6121.3 Ų21.363%0.62912%0.124SC*.THydrogen-bonded Turntrans81.41.6179.600000115.5I38 L237I38-G239 WeakPolarHBondContact CD1-O 3.37Å; L237-G239 PolarHBondContact O-N 2.72Å
240K91.2Very high93.4Very high23 Ų2321.8 Ų21.810%0.113%0.125CC..EExtended strand (participates in β ladder)trans-117.4142-175.9-177165.6-175.7142.40112.2S25 C27 E29 C165 L236 L237 N238 Y242S25-K240 PolarHBondContact O-NZ 3.16Å; S25-K240 PolarHBondContact OG-NZ 2.66Å; S25-K240 VanDerWaalsContact OG-NZ 3.16Å; C27-K240 WeakPolarHBondContact O-CE 3.37Å; C27-K240 PolarHBondContact O-NZ 3.27Å; E29-K240 HydrophobicContact CG-CB 4.38Å; E29-K240 HydrophobicContact CG-CD 4.26Å; E29-K240 HydrophobicContact CG-CG 4.08Å; E29-K240 IonicContact OE2-NZ 3.98Å; E29-K240 PolarHBondContact OE2-NZ 2.57Å; C165-K240 WeakPolarHBondContact SG-CE 3.1Å; L236-K240 WeakPolarHBondContact CA-O 3.44Å; L237-K240 PolarHBondContact N-O 3.49Å; L237-K240 WeakPolarHBondContact O-CB 3.31Å; L237-K240 PolarHBondContact O-N 3.3Å; N238-K240 VanDerWaalsContact C-N 3.3Å; N238-K240 PolarHBondContact O-N 3.47Å; K240-Y242 HydrophobicContact CB-CE2 3.86Å; K240-Y242 HydrophobicContact CD-CE2 3.95Å; K240-Y242 WeakPolarHBondContact CD-OH 3.31Å; K240-Y242 HydrophobicContact CG-CD2 4.32Å; K240-Y242 HydrophobicContact CG-CE2 3.65Å
241A94.8Very high92.7Very high0 Ų021.9 Ų21.90%013%0.126CC..EExtended strand (participates in β ladder)trans-90.2125.3-178.200000112.4G28 I38 W51 V164 C165 V234 L236G28-A241 WeakPolarHBondContact CA-O 3.36Å; G28-A241 PolarHBondContact O-N 2.86Å; I38-A241 HydrophobicContact CD1-CB 3.7Å; W51-A241 HydrophobicContact CH2-CB 3.27Å; W51-A241 HydrophobicContact CZ2-CB 3.72Å; W51-A241 HydrophobicContact CZ3-CB 3.96Å; V164-A241 HydrophobicContact CG2-CB 4.08Å; C165-A241 WeakPolarHBondContact CB-O 3.22Å; C165-A241 PolarHBondContact N-O 3.17Å; V234-A241 HydrophobicContact CG1-CB 3.68Å; L236-A241 HydrophobicContact CD2-CB 4.07Å
242Y95.2Very high91.7Very high48 Ų4825.6 Ų25.619%0.18815%0.148CC..EExtended strand (participates in β ladder)trans-122.2127.4176.5-69.8-92000110.9C165 K167 V234 C235 L237 K240 Y244C165-Y242 HydrophobicContact CB-CD1 3.51Å; C165-Y242 HydrophobicContact CB-CE1 3.66Å; C165-Y242 HydrophobicContact CB-CG 4.17Å; C165-Y242 CarbonylContact O-C 3.59Å; C165-Y242 WeakPolarHBondContact O-CA 3.21Å; K167-Y242 HydrophobicContact CD-CD1 3.92Å; K167-Y242 HydrophobicContact CD-CE1 4.48Å; K167-Y242 HydrophobicContact CD-CG 4.35Å; V234-Y242 CarbonylContact C-O 3.4Å; V234-Y242 VanDerWaalsContact CA-O 3.29Å; V234-Y242 WeakPolarHBondContact CA-O 3.45Å; C235-Y242 PolarHBondContact N-O 3.08Å; C235-Y242 PolarHBondContact O-N 3.43Å; L237-Y242 HydrophobicContact CB-CD2 3.9Å; L237-Y242 HydrophobicContact CB-CE2 4.02Å; L237-Y242 HydrophobicContact CD2-CE2 4.33Å; K240-Y242 HydrophobicContact CB-CE2 3.86Å; K240-Y242 HydrophobicContact CD-CE2 3.95Å; K240-Y242 WeakPolarHBondContact CD-OH 3.31Å; K240-Y242 HydrophobicContact CG-CD2 4.32Å; K240-Y242 HydrophobicContact CG-CE2 3.65Å; Y242-Y244 VanDerWaalsContact O-CD2 3.28Å; Y242-Y244 WeakPolarHBondContact O-CD2 3.42Å
243Q96.8Very high90.2Very high0 Ų026.9 Ų26.90%016%0.157CC..EExtended strand (participates in β ladder)trans-82.9127.1170.9-170.6-178.3-300110.5S67 V164 C165 K167 P232 L233 V234 G245 V270S67-Q243 VanDerWaalsContact OG-CD 3.31Å; S67-Q243 PolarHBondContact OG-NE2 3.01Å; S67-Q243 PolarHBondContact OG-OE1 2.98Å; V164-Q243 HydrophobicContact CG1-CB 3.84Å; V164-Q243 HydrophobicContact CG2-CB 4.16Å; C165-Q243 PolarHBondContact O-N 3.21Å; K167-Q243 PolarHBondContact N-O 3.21Å; P232-Q243 HydrophobicContact CB-CG 3.93Å; L233-Q243 CarbonylContact O-C 3.55Å; L233-Q243 WeakPolarHBondContact O-CA 3.18Å; V234-Q243 HydrophobicContact CG2-CB 4.24Å; V234-Q243 HydrophobicContact CG2-CG 4.39Å; Q243-G245 WeakPolarHBondContact CG-O 3.31Å; Q243-G245 PolarHBondContact NE2-O 2.92Å; Q243-V270 HydrophobicContact CG-CG1 3.83Å
244Y95.2Very high88.4Confident9 Ų933 Ų334%0.03518%0.183CC..EExtended strand (participates in β ladder)trans-106.9-32.7178.5-75.4-98.8000112.1K167 A171 P173 L233 C235 Y242 H269 V270K167-Y244 HydrophobicContact CB-CD1 3.98Å; K167-Y244 HydrophobicContact CB-CE1 3.96Å; K167-Y244 HydrophobicContact CB-CE2 4.48Å; K167-Y244 HydrophobicContact CB-CG 4.3Å; K167-Y244 HydrophobicContact CD-CE1 4.32Å; K167-Y244 HydrophobicContact CG-CD1 4.09Å; K167-Y244 HydrophobicContact CG-CE1 3.59Å; A171-Y244 HydrophobicContact CB-CD1 4.43Å; A171-Y244 HydrophobicContact CB-CE1 4.01Å; A171-Y244 VanDerWaalsContact O-CD1 3.31Å; A171-Y244 WeakPolarHBondContact O-CD1 3.28Å; P173-Y244 HydrophobicContact CB-CE1 4.32Å; P173-Y244 HydrophobicContact CB-CE2 4.41Å; P173-Y244 VanDerWaalsContact CD-CD1 3.47Å; P173-Y244 HydrophobicContact CG-CD1 3.61Å; P173-Y244 HydrophobicContact CG-CD2 3.83Å; P173-Y244 HydrophobicContact CG-CE1 3.84Å; P173-Y244 HydrophobicContact CG-CE2 4.08Å; P173-Y244 HydrophobicContact CG-CG 3.59Å; L233-Y244 PolarHBondContact O-N 2.93Å; C235-Y244 HydrophobicContact CB-CD2 3.99Å; C235-Y244 HydrophobicContact CB-CE2 3.76Å; Y242-Y244 VanDerWaalsContact O-CD2 3.28Å; Y242-Y244 WeakPolarHBondContact O-CD2 3.42Å; Y244-H269 PolarHBondContact O-CD2 2.76Å; Y244-V270 WeakPolarHBondContact O-CG2 3.43Å; Y244-V270 PolarHBondContact O-N 3.45Å
245G95.4Very high86.5Confident0 Ų034.4 Ų34.40%020%0.197CC..EExtended strand (participates in β ladder)trans-148.2177.7-176.800000114.6L233 Q243 G268L233-G245 PolarHBondContact N-O 3.04Å; L233-G245 PolarHBondContact O-N 2.85Å; Q243-G245 WeakPolarHBondContact CG-O 3.31Å; Q243-G245 PolarHBondContact NE2-O 2.92Å; G245-G268 CarbonylContact C-O 3.5Å; G245-G268 WeakPolarHBondContact CA-O 3.18Å
246V96.8Very high84.4Confident0 Ų039.7 Ų39.70%024%0.241CC..EExtended strand (participates in β ladder)trans-126.6126.8173.1173.30000107.4L86 T87 A88 I146 L248 Y267 G268 V270L86-V246 HydrophobicContact CB-CG2 4.43Å; T87-V246 VanDerWaalsContact C-CG1 3.45Å; A88-V246 HydrophobicContact CB-CG1 4.25Å; I146-V246 HydrophobicContact CG1-CB 4.41Å; I146-V246 HydrophobicContact CG2-CB 4.32Å; I146-V246 HydrophobicContact CG2-CG2 3.92Å; V246-L248 HydrophobicContact CG1-CD2 4.16Å; V246-L248 WeakPolarHBondContact O-CG 3.1Å; V246-L248 PolarHBondContact O-N 3.09Å; V246-Y267 CarbonylContact O-C 3.59Å; V246-Y267 WeakPolarHBondContact O-CA 3.45Å; V246-G268 PolarHBondContact N-O 3.27Å; V246-G268 PolarHBondContact O-N 2.98Å; V246-V270 HydrophobicContact CG2-CG1 4.47Å
247Y95.5Very high82.3Confident2 Ų241 Ų411%0.00825%0.253CS..EExtended strand (participates in β ladder)trans-67.2128.8-180176.8-88.6000111.2A225 S228 G230 G231 S249 E250 H265 Y267A225-Y247 WeakPolarHBondContact CA-OH 3.42Å; A225-Y247 WeakPolarHBondContact CB-OH 3.42Å; A225-Y247 WeakPolarHBondContact O-CE1 3.4Å; A225-Y247 PolarHBondContact O-OH 3.46Å; S228-Y247 WeakPolarHBondContact O-CB 3.43Å; S228-Y247 WeakPolarHBondContact O-CD1 3.23Å; G230-Y247 PolarHBondContact N-O 2.91Å; G231-Y247 PolarHBondContact O-N 3.41Å; Y247-S249 VanDerWaalsContact OH-C 3.23Å; Y247-E250 PolarHBondContact OH-N 2.97Å; Y247-E250 VanDerWaalsContact OH-N 3.16Å; Y247-H265 HydrophobicContact CD2-CB 3.93Å; Y247-H265 AromaticContact CD2-CG 3.96Å; Y247-H265 AromaticContact CD2-ND1 3.91Å; Y247-H265 HydrophobicContact CE2-CB 3.64Å; Y247-H265 AromaticContact CE2-CD2 3.63Å; Y247-H265 AromaticContact CE2-CE1 3.88Å; Y247-H265 AromaticContact CE2-CG 3.4Å; Y247-H265 AromaticContact CE2-ND1 3.6Å; Y247-H265 AromaticContact CE2-NE2 3.91Å; Y247-Y267 VanDerWaalsContact CA-CD1 3.47Å; Y247-Y267 HydrophobicContact CD2-CD1 4.2Å; Y247-Y267 AromaticContact CD2-CE1 3.79Å; Y247-Y267 HydrophobicContact CD2-CE1 3.79Å; Y247-Y267 HydrophobicContact CG-CD1 4.45Å; Y247-Y267 HydrophobicContact CG-CE1 4.22Å
248L93.4Very high80.6Confident2 Ų242.1 Ų42.11%0.0127%0.271CS..EExtended strand (participates in β ladder)trans-118.9-40.3-176.4-58.3-175.5000113.7A88 Y135 I142 G145 L229 V246 F266A88-L248 HydrophobicContact CB-CD2 3.53Å; Y135-L248 HydrophobicContact CD2-CD1 3.98Å; Y135-L248 HydrophobicContact CE2-CD1 3.59Å; I142-L248 HydrophobicContact CG2-CD1 4.27Å; G145-L248 VanDerWaalsContact O-CD2 3.25Å; G145-L248 WeakPolarHBondContact O-CD2 3.24Å; L229-L248 WeakPolarHBondContact CD1-O 3.27Å; V246-L248 HydrophobicContact CG1-CD2 4.16Å; V246-L248 WeakPolarHBondContact O-CG 3.1Å; V246-L248 PolarHBondContact O-N 3.09Å; L248-F266 HydrophobicContact CB-CD1 4.24Å; L248-F266 HydrophobicContact CD1-CD1 4.33Å; L248-F266 HydrophobicContact CD1-CE1 4.09Å; L248-F266 PolarHBondContact N-O 2.91Å
249S90.2Very high79Confident15 Ų1539.4 Ų39.411%0.10527%0.265CS..EExtended strand (participates in β ladder)trans-165.6161.7-176.3-153.30000112.6Y247 F266Y247-S249 VanDerWaalsContact OH-C 3.23Å; S249-F266 WeakPolarHBondContact O-CB 3.4Å; S249-F266 PolarHBondContact O-N 2.87Å
250E87.6Confident77.5Confident40 Ų4042.3 Ų42.319%0.18726%0.262CS..EExtended strand (participates in β ladder)trans-91131.7166.7179.3-174.217400109.1A225 Y247 T252 S263 L264A225-E250 HydrophobicContact CB-CB 3.58Å; A225-E250 HydrophobicContact CB-CG 4.5Å; A225-E250 WeakPolarHBondContact CB-OE2 3.39Å; Y247-E250 PolarHBondContact OH-N 2.97Å; Y247-E250 VanDerWaalsContact OH-N 3.16Å; E250-T252 HydrophobicContact CG-CG2 4.34Å; E250-S263 WeakPolarHBondContact OE1-CB 3.45Å; E250-S263 PolarHBondContact OE1-OG 2.83Å; E250-L264 CarbonylContact C-O 3.57Å; E250-L264 WeakPolarHBondContact CA-O 3.45Å
251L82.2Confident76.2Confident2 Ų247.9 Ų47.91%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-99.7113.3172.8-54.5179.6000108.1I142 F204 F207 L210 L264 F266I142-L251 HydrophobicContact CD1-CD2 3.82Å; F204-L251 HydrophobicContact CD1-CD1 4.02Å; F204-L251 HydrophobicContact CE1-CD1 4.18Å; F207-L251 HydrophobicContact CD2-CB 4.49Å; F207-L251 HydrophobicContact CD2-CD2 3.96Å; F207-L251 HydrophobicContact CE2-CB 4.13Å; F207-L251 HydrophobicContact CE2-CD2 3.91Å; F207-L251 HydrophobicContact CG-CD2 4.41Å; F207-L251 HydrophobicContact CZ-CD2 4.33Å; L210-L251 HydrophobicContact CD1-CD1 4.04Å; L210-L251 HydrophobicContact CD1-CD2 3.86Å; L251-L264 HydrophobicContact CB-CB 4.38Å; L251-L264 PolarHBondContact N-O 2.98Å; L251-L264 PolarHBondContact O-N 3.01Å; L251-F266 HydrophobicContact CD1-CB 3.83Å; L251-F266 HydrophobicContact CD1-CD2 4.04Å; L251-F266 HydrophobicContact CD1-CG 4.25Å; L251-F266 HydrophobicContact CD2-CB 4.22Å; L251-F266 HydrophobicContact CG-CB 3.81Å
252T76.4Confident75Confident77 Ų7753 Ų5347%0.47231%0.31SS..EExtended strand (participates in β ladder)trans-94.3109.3172.950.20000109.4E250E250-T252 HydrophobicContact CG-CG2 4.34Å
253T64.9Low74.2Confident28 Ų2852.2 Ų52.217%0.17231%0.312CS..EExtended strand (participates in β ladder)trans-90.7123.8170.763.50000108K261 Q262T253-K261 WeakPolarHBondContact O-CA 3.46Å; T253-Q262 PolarHBondContact N-O 2.89Å; T253-Q262 PolarHBondContact O-N 2.88Å; T253-Q262 PolarHBondContact OG1-O 2.94Å; T253-Q262 VanDerWaalsContact OG1-O 3.09Å
254K58Low73.6Confident128 Ų12852.6 Ų52.656%0.55731%0.314SS*.EExtended strand (participates in β ladder)trans-85.7114.7164.7-61.3-174.7-178.5-179.70106.2
255G55.2Low73.4Confident29 Ų2952.2 Ų52.230%0.29931%0.313SS..  trans-60.9176.616700000111.8S257 Q260G255-S257 PolarHBondContact O-N 2.97Å; G255-Q260 WeakPolarHBondContact CA-O 3.48Å; G255-Q260 PolarHBondContact N-O 3.24Å
256A50.9Low73.2Confident113 Ų11352.2 Ų52.293%0.93431%0.313SS*.SBendtrans-58.5-20.2179.200000113.1
257S48.4Very low73.1Confident63 Ų6352.2 Ų52.244%0.44131%0.313SS..SBendtrans-122.8149.7171.6-177.70000111.5G255 S259 Q260G255-S257 PolarHBondContact O-N 2.97Å; S257-S259 PolarHBondContact O-N 3.17Å; S257-S259 PolarHBondContact OG-OG 3.07Å; S257-Q260 PolarHBondContact O-N 3.05Å
258A53.7Low72.9Confident83 Ų8352.1 Ų52.169%0.68631%0.312SS*.THydrogen-bonded Turntrans-57.6-20.2179.300000113.8
259S51.9Low72.9Confident105 Ų10552.1 Ų52.173%0.73431%0.312SS*.THydrogen-bonded Turntrans-82.5-10.7177.554.80000114.8S257S257-S259 PolarHBondContact O-N 3.17Å; S257-S259 PolarHBondContact OG-OG 3.07Å
260Q54.6Low73.1Confident122 Ų12251.4 Ų51.457%0.5731%0.307SS*.  trans-107.445.1-180-70-179.9-21.700111.6G255 S257 Q262G255-Q260 WeakPolarHBondContact CA-O 3.48Å; G255-Q260 PolarHBondContact N-O 3.24Å; S257-Q260 PolarHBondContact O-N 3.05Å; Q260-Q262 PolarHBondContact O-N 2.83Å
261K62.2Low73.2Confident139 Ų13950 Ų5060%0.60430%0.303SS*.EExtended strand (participates in β ladder)trans-76.5120.9171.1-69.8178.5-172.1172.30108.7T253T253-K261 WeakPolarHBondContact O-CA 3.46Å
262Q69.5Low73.5Confident107 Ų10750.5 Ų50.550%0.531%0.306SS..EExtended strand (participates in β ladder)trans-111126.4169.3-66.1-175.8-0.900109.1T253 Q260T253-Q262 PolarHBondContact N-O 2.89Å; T253-Q262 PolarHBondContact O-N 2.88Å; T253-Q262 PolarHBondContact OG1-O 2.94Å; T253-Q262 VanDerWaalsContact OG1-O 3.09Å; Q260-Q262 PolarHBondContact O-N 2.83Å
263S78.7Confident74.1Confident32 Ų3246.9 Ų46.922%0.22428%0.284CS..EExtended strand (participates in β ladder)trans-94.8117.6171.6-75.10000109E250E250-S263 WeakPolarHBondContact OE1-CB 3.45Å; E250-S263 PolarHBondContact OE1-OG 2.83Å
264L85.4Confident75.2Confident9 Ų948.5 Ų48.55%0.04729%0.291CS..EExtended strand (participates in β ladder)trans-111.4140.3175.7-61.6177.1000109.2V197 S218 E250 L251V197-L264 HydrophobicContact CG2-CD2 4.08Å; S218-L264 WeakPolarHBondContact O-CA 3.39Å; E250-L264 CarbonylContact C-O 3.57Å; E250-L264 WeakPolarHBondContact CA-O 3.45Å; L251-L264 HydrophobicContact CB-CB 4.38Å; L251-L264 PolarHBondContact N-O 2.98Å; L251-L264 PolarHBondContact O-N 3.01Å
265H90.2Very high76.1Confident1 Ų144.8 Ų44.81%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-83.2132.3167.4-77.6-169.7000109.9C217 S218 H220 Y247 Y267C217-H265 VanDerWaalsContact CA-O 3.23Å; C217-H265 WeakPolarHBondContact CA-O 3.17Å; S218-H265 PolarHBondContact N-O 2.97Å; S218-H265 VanDerWaalsContact N-O 3.11Å; S218-H265 PolarHBondContact O-N 3.44Å; H220-H265 WeakPolarHBondContact CB-NE2 3.41Å; H220-H265 AromaticContact CD2-CD2 3.99Å; H220-H265 AromaticContact CD2-CE1 2.99Å; H220-H265 PolarHBondContact CD2-CE1 3.25Å; H220-H265 AromaticContact CD2-ND1 3.95Å; H220-H265 AromaticContact CD2-NE2 3Å; H220-H265 PolarHBondContact CD2-NE2 2.66Å; H220-H265 AromaticContact CE1-CE1 3.86Å; H220-H265 AromaticContact CG-CE1 3.19Å; H220-H265 AromaticContact CG-ND1 3.71Å; H220-H265 AromaticContact CG-NE2 3.39Å; H220-H265 AromaticContact ND1-CE1 3.72Å; H220-H265 AromaticContact NE2-CE1 3.47Å; H220-H265 PolarHBondContact NE2-CE1 3.17Å; H220-H265 AromaticContact NE2-NE2 3.85Å; Y247-H265 HydrophobicContact CD2-CB 3.93Å; Y247-H265 AromaticContact CD2-CG 3.96Å; Y247-H265 AromaticContact CD2-ND1 3.91Å; Y247-H265 HydrophobicContact CE2-CB 3.64Å; Y247-H265 AromaticContact CE2-CD2 3.63Å; Y247-H265 AromaticContact CE2-CE1 3.88Å; Y247-H265 AromaticContact CE2-CG 3.4Å; Y247-H265 AromaticContact CE2-ND1 3.6Å; Y247-H265 AromaticContact CE2-NE2 3.91Å; H265-Y267 HydrophobicContact CB-CD2 4.47Å; H265-Y267 HydrophobicContact CB-CE2 3.53Å; H265-Y267 WeakPolarHBondContact O-CE2 3.48Å
266F91.7Very high76.8Confident0 Ų054 Ų540%030%0.303CS..EExtended strand (participates in β ladder)trans-103.4133.4173.9-177.7-100.5000111.4I142 F204 L210 T213 L248 S249 L251I142-F266 HydrophobicContact CD1-CD1 3.99Å; I142-F266 HydrophobicContact CD1-CE1 4.46Å; I142-F266 HydrophobicContact CD1-CG 4.42Å; I142-F266 HydrophobicContact CG1-CD1 4.14Å; I142-F266 HydrophobicContact CG2-CD1 3.93Å; I142-F266 HydrophobicContact CG2-CE1 3.49Å; I142-F266 VanDerWaalsContact CG2-CE1 3.49Å; I142-F266 HydrophobicContact CG2-CZ 4.35Å; F204-F266 AromaticContact CE1-CD2 3.8Å; F204-F266 HydrophobicContact CE1-CD2 3.8Å; F204-F266 AromaticContact CE1-CE2 3.7Å; F204-F266 HydrophobicContact CE1-CE2 3.7Å; F204-F266 HydrophobicContact CZ-CE2 4.13Å; L210-F266 HydrophobicContact CB-CE2 4.4Å; L210-F266 HydrophobicContact CD1-CD2 4.31Å; L210-F266 HydrophobicContact CD1-CE2 4.27Å; L210-F266 HydrophobicContact CD2-CZ 4.24Å; T213-F266 WeakPolarHBondContact OG1-CZ 3.38Å; L248-F266 HydrophobicContact CB-CD1 4.24Å; L248-F266 HydrophobicContact CD1-CD1 4.33Å; L248-F266 HydrophobicContact CD1-CE1 4.09Å; L248-F266 PolarHBondContact N-O 2.91Å; S249-F266 WeakPolarHBondContact O-CB 3.4Å; S249-F266 PolarHBondContact O-N 2.87Å; L251-F266 HydrophobicContact CD1-CB 3.83Å; L251-F266 HydrophobicContact CD1-CD2 4.04Å; L251-F266 HydrophobicContact CD1-CG 4.25Å; L251-F266 HydrophobicContact CD2-CB 4.22Å; L251-F266 HydrophobicContact CG-CB 3.81Å
267Y93.6Very high77.9Confident0 Ų053 Ų530%028%0.282CS..EExtended strand (participates in β ladder)trans-123.4129.9179.1-51-97.6000110.1V181 G215 L216 S218 L233 V246 Y247 H265V181-Y267 HydrophobicContact CB-CE1 4.2Å; V181-Y267 HydrophobicContact CG2-CE1 3.81Å; G215-Y267 CarbonylContact C-O 3.53Å; G215-Y267 VanDerWaalsContact CA-O 3.25Å; G215-Y267 WeakPolarHBondContact CA-O 3.47Å; L216-Y267 PolarHBondContact N-O 2.89Å; L216-Y267 PolarHBondContact O-N 3.45Å; S218-Y267 VanDerWaalsContact OG-CE2 3.28Å; S218-Y267 WeakPolarHBondContact OG-CE2 3.45Å; S218-Y267 PolarHBondContact OG-OH 2.88Å; L233-Y267 HydrophobicContact CB-CD1 3.55Å; L233-Y267 HydrophobicContact CB-CE1 3.75Å; L233-Y267 HydrophobicContact CB-CG 4.12Å; L233-Y267 HydrophobicContact CD1-CE1 4.12Å; L233-Y267 HydrophobicContact CD1-CE2 4.45Å; L233-Y267 HydrophobicContact CD2-CD1 4.19Å; L233-Y267 HydrophobicContact CD2-CD2 4.01Å; L233-Y267 HydrophobicContact CD2-CE1 4.5Å; L233-Y267 HydrophobicContact CD2-CE2 4.36Å; L233-Y267 HydrophobicContact CD2-CG 3.92Å; L233-Y267 HydrophobicContact CG-CD1 4.31Å; L233-Y267 HydrophobicContact CG-CE1 4.33Å; V246-Y267 CarbonylContact O-C 3.59Å; V246-Y267 WeakPolarHBondContact O-CA 3.45Å; Y247-Y267 VanDerWaalsContact CA-CD1 3.47Å; Y247-Y267 HydrophobicContact CD2-CD1 4.2Å; Y247-Y267 AromaticContact CD2-CE1 3.79Å; Y247-Y267 HydrophobicContact CD2-CE1 3.79Å; Y247-Y267 HydrophobicContact CG-CD1 4.45Å; Y247-Y267 HydrophobicContact CG-CE1 4.22Å; H265-Y267 HydrophobicContact CB-CD2 4.47Å; H265-Y267 HydrophobicContact CB-CE2 3.53Å; H265-Y267 WeakPolarHBondContact O-CE2 3.48Å
268G93.1Very high78.4Confident0 Ų056.6 Ų56.60%030%0.295CS..EExtended strand (participates in β ladder)trans-71.4135.9165.200000109.7Y135 I146 G245 V246Y135-G268 WeakPolarHBondContact OH-CA 3.14Å; I146-G268 WeakPolarHBondContact CD1-O 3.49Å; G245-G268 CarbonylContact C-O 3.5Å; G245-G268 WeakPolarHBondContact CA-O 3.18Å; V246-G268 PolarHBondContact N-O 3.27Å; V246-G268 PolarHBondContact O-N 2.98Å
269H93.5Very high79Confident1 Ų156.2 Ų56.21%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-73.3131.6178.9-171.5-72.8000111.5Y135 I146 Y170 A171 K214 Y244 A271 T272Y135-H269 PolarHBondContact OH-N 2.84Å; I146-H269 WeakPolarHBondContact CD1-O 3.31Å; Y170-H269 WeakPolarHBondContact CA-CE1 3.42Å; Y170-H269 VanDerWaalsContact CA-NE2 3.33Å; Y170-H269 WeakPolarHBondContact CA-NE2 3.31Å; Y170-H269 HydrophobicContact CD1-CB 3.89Å; Y170-H269 AromaticContact CD1-CG 3.71Å; Y170-H269 AromaticContact CD1-ND1 3.72Å; Y170-H269 HydrophobicContact CE1-CB 4.16Å; Y170-H269 PolarHBondContact N-CE1 3.06Å; A171-H269 PolarHBondContact N-NE2 2.79Å; A171-H269 PolarHBondContact O-CD2 2.97Å; A171-H269 PolarHBondContact O-NE2 3.43Å; K214-H269 WeakPolarHBondContact O-CB 3.16Å; Y244-H269 PolarHBondContact O-CD2 2.76Å; H269-A271 WeakPolarHBondContact ND1-CB 3.47Å; H269-A271 PolarHBondContact ND1-N 3.31Å; H269-A271 PolarHBondContact O-N 2.8Å; H269-A271 VanDerWaalsContact O-N 3.09Å; H269-T272 VanDerWaalsContact O-CB 3.3Å; H269-T272 WeakPolarHBondContact O-CB 3.5Å; H269-T272 PolarHBondContact O-N 2.67Å; H269-T272 PolarHBondContact O-OG1 3.07Å
270V93.8Very high79.8Confident0 Ų054 Ų540%027%0.272CS..THydrogen-bonded Turntrans-53.8-34.9-175.3-68.40000114.4L86 V166 Q243 Y244 V246 T272 V273L86-V270 HydrophobicContact CD1-CB 4.18Å; L86-V270 HydrophobicContact CD1-CG1 3.87Å; V166-V270 HydrophobicContact CG1-CB 3.79Å; V166-V270 HydrophobicContact CG1-CG1 4.35Å; V166-V270 HydrophobicContact CG1-CG2 3.4Å; V166-V270 VanDerWaalsContact CG1-CG2 3.4Å; Q243-V270 HydrophobicContact CG-CG1 3.83Å; Y244-V270 WeakPolarHBondContact O-CG2 3.43Å; Y244-V270 PolarHBondContact O-N 3.45Å; V246-V270 HydrophobicContact CG2-CG1 4.47Å; V270-T272 PolarHBondContact O-N 2.81Å; V270-T272 VanDerWaalsContact O-N 3.13Å; V270-V273 PolarHBondContact O-N 3.24Å
271A89.7Confident80.1Confident12 Ų1251.4 Ų51.410%0.09927%0.265CS..Hα-helixtrans-55.9-28.117700000113.6Y170 H269 V273 L274 D275Y170-A271 HydrophobicContact CD1-CB 4.27Å; Y170-A271 HydrophobicContact CD2-CB 4.15Å; Y170-A271 HydrophobicContact CE1-CB 4.22Å; Y170-A271 HydrophobicContact CE2-CB 4.08Å; Y170-A271 HydrophobicContact CG-CB 4.25Å; H269-A271 WeakPolarHBondContact ND1-CB 3.47Å; H269-A271 PolarHBondContact ND1-N 3.31Å; H269-A271 PolarHBondContact O-N 2.8Å; H269-A271 VanDerWaalsContact O-N 3.09Å; A271-V273 VanDerWaalsContact C-N 3.31Å; A271-V273 PolarHBondContact O-N 3.18Å; A271-L274 PolarHBondContact O-N 2.98Å; A271-D275 PolarHBondContact O-N 2.85Å
272T87.9Confident80.1Confident11 Ų1155.4 Ų55.47%0.06728%0.277CS..Hα-helixtrans-59.1-38.7-178.5-63.30000113M133 Y135 Y170 H269 V270M133-T272 HydrophobicContact CB-CG2 4.09Å; M133-T272 HydrophobicContact CG-CG2 3.38Å; Y135-T272 HydrophobicContact CE1-CG2 3.76Å; Y135-T272 PolarHBondContact OH-OG1 3.2Å; Y170-T272 WeakPolarHBondContact CE1-OG1 3.15Å; Y170-T272 PolarHBondContact OH-OG1 2.82Å; H269-T272 VanDerWaalsContact O-CB 3.3Å; H269-T272 WeakPolarHBondContact O-CB 3.5Å; H269-T272 PolarHBondContact O-N 2.67Å; H269-T272 PolarHBondContact O-OG1 3.07Å; V270-T272 PolarHBondContact O-N 2.81Å; V270-T272 VanDerWaalsContact O-N 3.13Å
273V89.9Confident80.7Confident2 Ų252 Ų521%0.01227%0.271CS..Hα-helixtrans-92.9-20.1-17974.40000113L86 M133 I146 L148 V270 A271 F284L86-V273 HydrophobicContact CD2-CG1 3.53Å; M133-V273 HydrophobicContact CB-CB 4.42Å; M133-V273 HydrophobicContact CB-CG2 4.37Å; I146-V273 HydrophobicContact CB-CB 4.16Å; I146-V273 HydrophobicContact CB-CG1 4.33Å; I146-V273 HydrophobicContact CG2-CB 4.04Å; I146-V273 HydrophobicContact CG2-CG1 3.68Å; L148-V273 HydrophobicContact CB-CG2 3.92Å; V270-V273 PolarHBondContact O-N 3.24Å; A271-V273 VanDerWaalsContact C-N 3.31Å; A271-V273 PolarHBondContact O-N 3.18Å; V273-F284 HydrophobicContact CG2-CE1 4.19Å
274L87.8Confident81.2Confident61 Ų6151.4 Ų51.432%0.31926%0.264SS..Hα-helixtrans-89.1-11.7-178.7-62.4180000113.3I69 L86 L148 V166 A271 R276I69-L274 HydrophobicContact CD1-CD2 4.2Å; L86-L274 HydrophobicContact CD2-CD2 4.34Å; L148-L274 HydrophobicContact CD1-CD2 4.48Å; L148-L274 HydrophobicContact CD2-CD2 4.36Å; V166-L274 HydrophobicContact CB-CD1 4.41Å; V166-L274 HydrophobicContact CG1-CD1 3.58Å; A271-L274 PolarHBondContact O-N 2.98Å; L274-R276 PolarHBondContact O-N 3.47Å
275D77.4Confident81.4Confident51 Ų5152.9 Ų52.927%0.27327%0.272SS..  trans-61.4126.9175.4-169.40.6000111.1R131 A271 N277 N280R131-D275 PolarHBondContact NH2-O 2.93Å; A271-D275 PolarHBondContact O-N 2.85Å; D275-N277 VanDerWaalsContact OD1-CB 3.26Å; D275-N277 WeakPolarHBondContact OD1-CB 3.38Å; D275-N277 PolarHBondContact OD1-N 3.26Å; D275-N280 PolarHBondContact OD2-ND2 3.27Å
276R70Confident81.6Confident222 Ų22257.1 Ų57.184%0.83829%0.291SS*.  trans-100.64179.6-61.8-173.7-179.3-172.40.6112.5L274 L278L274-R276 PolarHBondContact O-N 3.47Å; R276-L278 PolarHBondContact O-N 2.93Å
277N72.8Confident81.7Confident92 Ų9258 Ų5849%0.49230%0.296SS..  trans-57.3128.6177.8-167.2-24.1000110.5D275 A279 N280D275-N277 VanDerWaalsContact OD1-CB 3.26Å; D275-N277 WeakPolarHBondContact OD1-CB 3.38Å; D275-N277 PolarHBondContact OD1-N 3.26Å; N277-A279 PolarHBondContact O-N 3.02Å; N277-A279 PolarHBondContact OD1-N 3.12Å; N277-N280 PolarHBondContact O-N 3.49Å
278L59.6Low81.4Confident139 Ų13960.7 Ų60.773%0.72832%0.324SS*.Hα-helixtrans-55.9-32.3-179.4-78161.2000112.3R276 N280 V281R276-L278 PolarHBondContact O-N 2.93Å; L278-N280 PolarHBondContact O-N 2.86Å; L278-V281 HydrophobicContact CD2-CG2 4.32Å; L278-V281 WeakPolarHBondContact O-CB 3.31Å; L278-V281 PolarHBondContact O-N 3.35Å; L278-V281 VanDerWaalsContact O-N 3.07Å
279A65.2Low80.8Confident75 Ų7563.5 Ų63.562%0.6234%0.338SS*.Hα-helixtrans-58.4-30.8176.600000112.8N277N277-A279 PolarHBondContact O-N 3.02Å; N277-A279 PolarHBondContact OD1-N 3.12Å
280N68.4Low79.3Confident58 Ų5869.3 Ų69.331%0.3138%0.379SS..Hα-helixtrans-89.3-11.2-179-69.3-26.1000112.7M133 D275 N277 L278 Y282 G283 F284M133-N280 HydrophobicContact CE-CB 4.06Å; D275-N280 PolarHBondContact OD2-ND2 3.27Å; N277-N280 PolarHBondContact O-N 3.49Å; L278-N280 PolarHBondContact O-N 2.86Å; N280-Y282 PolarHBondContact O-N 3.28Å; N280-G283 PolarHBondContact O-N 3Å; N280-F284 HydrophobicContact CB-CE2 3.96Å; N280-F284 WeakPolarHBondContact O-CD2 3.31Å; N280-F284 WeakPolarHBondContact O-CE2 3.3Å
281V61.9Low77.2Confident68 Ų6877.5 Ų77.541%0.41242%0.418SS..Hα-helixtrans-58.2-37.8-175.1172.90000111.8L278 G283 F284L278-V281 HydrophobicContact CD2-CG2 4.32Å; L278-V281 WeakPolarHBondContact O-CB 3.31Å; L278-V281 PolarHBondContact O-N 3.35Å; L278-V281 VanDerWaalsContact O-N 3.07Å; V281-G283 VanDerWaalsContact C-N 3.28Å; V281-G283 PolarHBondContact O-N 2.81Å; V281-F284 PolarHBondContact O-N 3.19Å
282Y61.2Low75Confident222 Ų22286.1 Ų86.187%0.87145%0.453SS*.THydrogen-bonded Turntrans-75.6-13.3177.7-62.6-73.5000114.3N280N280-Y282 PolarHBondContact O-N 3.28Å
283G82.2Confident72.4Confident35 Ų3591.5 Ų91.536%0.36149%0.488SS..THydrogen-bonded Turntrans-81.5-15.4176.200000113.4P134 N280 V281P134-G283 WeakPolarHBondContact CD-O 3.07Å; P134-G283 WeakPolarHBondContact CG-O 3.18Å; N280-G283 PolarHBondContact O-N 3Å; V281-G283 VanDerWaalsContact C-N 3.28Å; V281-G283 PolarHBondContact O-N 2.81Å
284F89Confident69.9Low21 Ų2196.3 Ų96.39%0.09252%0.522CS..  trans-81.1139.7-175.7-66.9-85.4000112.6R131 I132 M133 V273 N280 V281R131-F284 HydrophobicContact CG-CB 4.12Å; R131-F284 HydrophobicContact CG-CD1 3.4Å; R131-F284 HydrophobicContact CG-CE1 4.04Å; R131-F284 HydrophobicContact CG-CG 3.93Å; R131-F284 VanDerWaalsContact NE-CG 3.3Å; I132-F284 CarbonylContact O-C 3.56Å; I132-F284 VanDerWaalsContact O-CA 3.28Å; I132-F284 WeakPolarHBondContact O-CA 3.18Å; M133-F284 HydrophobicContact CB-CD1 3.93Å; M133-F284 HydrophobicContact CB-CE1 3.68Å; M133-F284 HydrophobicContact CB-CZ 4.47Å; M133-F284 HydrophobicContact CE-CD1 3.63Å; M133-F284 HydrophobicContact CE-CD2 3.52Å; M133-F284 HydrophobicContact CE-CE1 3.39Å; M133-F284 HydrophobicContact CE-CE2 3.19Å; M133-F284 HydrophobicContact CE-CG 3.72Å; M133-F284 HydrophobicContact CE-CZ 3.13Å; M133-F284 HydrophobicContact CG-CE1 4.35Å; V273-F284 HydrophobicContact CG2-CE1 4.19Å; N280-F284 HydrophobicContact CB-CE2 3.96Å; N280-F284 WeakPolarHBondContact O-CD2 3.31Å; N280-F284 WeakPolarHBondContact O-CE2 3.3Å; V281-F284 PolarHBondContact O-N 3.19Å
285I91.5Very high67.7Low40 Ų4099.5 Ų99.521%0.20555%0.546CS..EExtended strand (participates in β ladder)trans-94.5119.7165.1-58.3170000107.3W100 I132 P134 W143 L287W100-I285 HydrophobicContact CD2-CG2 4.34Å; W100-I285 HydrophobicContact CH2-CD1 4.18Å; W100-I285 HydrophobicContact CZ2-CD1 3.31Å; W100-I285 HydrophobicContact CZ2-CG2 4.42Å; I132-I285 HydrophobicContact CB-CB 4.21Å; I132-I285 PolarHBondContact N-O 3.32Å; I132-I285 PolarHBondContact O-N 2.96Å; P134-I285 HydrophobicContact CG-CD1 4.3Å; W143-I285 HydrophobicContact CH2-CD1 4.45Å; I285-L287 HydrophobicContact CG2-CD2 4.05Å
286E93.3Very high65.8Low89 Ų89102.4 Ų102.442%0.41657%0.57SS.*EExtended strand (participates in β ladder)trans-108.4126179.6-63.3-164144.500111.4L289E286-L289 HydrophobicContact CB-CB 4.4Å; E286-L289 HydrophobicContact CB-CD1 4.41Å; E286-L289 HydrophobicContact CG-CD1 4.36Å
287L94.2Very high64.4Low20 Ų20101.6 Ų101.611%0.10557%0.573CS.*EExtended strand (participates in β ladder)trans-115.1118.6178.7-48.9175.3000109.2F92 W100 P103 G129 I130 I132 I285 L289F92-L287 HydrophobicContact CB-CD1 4.22Å; W100-L287 HydrophobicContact CB-CD1 4.11Å; W100-L287 HydrophobicContact CB-CD2 3.68Å; W100-L287 HydrophobicContact CE3-CD1 4.2Å; W100-L287 HydrophobicContact CG-CD2 4.03Å; P103-L287 HydrophobicContact CG-CB 4.1Å; P103-L287 WeakPolarHBondContact CG-O 3.02Å; G129-L287 CarbonylContact C-O 3.54Å; G129-L287 WeakPolarHBondContact CA-O 3.4Å; I130-L287 HydrophobicContact CB-CB 4.17Å; I130-L287 HydrophobicContact CB-CD1 4.3Å; I130-L287 HydrophobicContact CD1-CD1 4.31Å; I130-L287 PolarHBondContact N-O 2.83Å; I130-L287 PolarHBondContact O-N 2.86Å; I132-L287 HydrophobicContact CD1-CD1 3.96Å; I285-L287 HydrophobicContact CG2-CD2 4.05Å; L287-L289 PolarHBondContact O-N 2.9Å
288G88Confident62.9Low56 Ų56106.9 Ų106.958%0.57759%0.591SS**SBendtrans69.311.5177.300000116.2
289L78.7Confident61.9Low58 Ų58105.8 Ų105.830%0.30460%0.595SS.*SBendtrans-94.2122.1164.4-59.8172.4000106.8E286 L287 Q291E286-L289 HydrophobicContact CB-CB 4.4Å; E286-L289 HydrophobicContact CB-CD1 4.41Å; E286-L289 HydrophobicContact CG-CD1 4.36Å; L287-L289 PolarHBondContact O-N 2.9Å; L289-Q291 PolarHBondContact O-N 2.75Å; L289-Q291 VanDerWaalsContact O-N 3.15Å
290S63Low61Low124 Ų124108.1 Ų108.187%0.86761%0.607SS**PPolyproline II helixtrans-59.3120.5178.1-600000109.4K292S290-K292 PolarHBondContact O-N 2.92Å
291Q48.9Very low59.8Low172 Ų172110.9 Ų110.980%0.80463%0.631SS**PPolyproline II helixtrans-54.2132.1173.8-69.6179.2-15.600109.1L289L289-Q291 PolarHBondContact O-N 2.75Å; L289-Q291 VanDerWaalsContact O-N 3.15Å
292K44.3Very low58.8Low192 Ų192111.1 Ų111.184%0.83565%0.647SS**PPolyproline II helixtrans-49.8141.4170.3-108179.8176-179.70109.1S290 S294S290-K292 PolarHBondContact O-N 2.92Å; K292-S294 PolarHBondContact O-N 2.82Å
293P33.7Very low58Low124 Ų124106.5 Ų106.581%0.80565%0.648SS**PPolyproline II helixtrans-66.7120.8-178.326.5-30.1000109.8
294S37.1Very low56Low104 Ų104114 Ų11473%0.72767%0.673SS**PPolyproline II helixtrans-57.5144.1165-39.90000109.4K292 S296K292-S294 PolarHBondContact O-N 2.82Å; S294-S296 PolarHBondContact O-N 2.82Å
295P41.3Very low53.7Low127 Ų127122.6 Ų122.683%0.82571%0.713SS**PPolyproline II helixtrans-65.1125.4179.228.2-33.1000109.6K297P295-K297 PolarHBondContact O-N 3.24Å
296S37.1Very low51.3Low112 Ų112129.9 Ų129.978%0.78374%0.744SS**PPolyproline II helixtrans-63.5118178.542.70000110.7S294 K298S294-S296 PolarHBondContact O-N 2.82Å; S296-K298 PolarHBondContact O-N 2.98Å
297K41.1Very low48.9Very low205 Ų205130.5 Ų130.589%0.89176%0.756SS**  trans-70109.6159.7-76.4-173.9177.2-177.30107.4P295 S299P295-K297 PolarHBondContact O-N 3.24Å; K297-S299 PolarHBondContact O-N 3.41Å
298K40.5Very low46.4Very low203 Ų203136.4 Ų136.488%0.88379%0.787SS**  trans-61.2114.9165.1-78.4179.8175.4179.90108.4S296S296-K298 PolarHBondContact O-N 2.98Å
299S38.7Very low44.3Very low116 Ų116142.4 Ų142.481%0.81180%0.8SS**  trans-104.7106.4161.252.50000107.7K297K297-S299 PolarHBondContact O-N 3.41Å
300S46.5Very low42.4Very low124 Ų124143.4 Ų143.487%0.86783%0.825SS**  trans-87.8122.7165.647.90000108.8
301S43Very low41Very low117 Ų117143.1 Ų143.182%0.81882%0.822SS**  trans-95.5144.6176.1570000111.8
302G41.1Very low40.8Very low72 Ų72144.9 Ų144.974%0.74283%0.826SS**  trans84.4124.8162.600000113.3
303S45.5Very low40.8Very low126 Ų126144.6 Ų144.688%0.88183%0.828SS**  cis-160.115545.7-45.60000110.9
304E40.1Very low41.5Very low192 Ų192143.6 Ų143.690%0.89782%0.821SS**  trans-64.5139.6-177.7-66.5159.8122.600114.5
305E40.5Very low41.8Very low201 Ų201143.7 Ų143.794%0.93982%0.819SS**  trans-166.4139.8131-114.1175.9165.800110.4
306K41.4Very low41.6Very low193 Ų193143.6 Ų143.684%0.83982%0.817SS**  trans-105.2-170.5-166.3-145.4-164.6172.1177.50109.5
307P41.7Very low41.7Very low103 Ų103145 Ų14567%0.66982%0.82SS**  -116.7166.1-52.318.52.5000112.3
308D41.5Very low41.6Very low143 Ų143139.4 Ų139.477%0.76581%0.807SS**  -165.1159.8123.6-137.4-9.2000114.3
309Q44.5Very low41.2Very low182 Ų182137.4 Ų137.485%0.8580%0.801SS**  trans-60.3157.7-160.9-65.8151.38.700118.9
310G38Very low40.9Very low80 Ų80142.4 Ų142.483%0.82580%0.802SS**  trans168.274.8162.900000116.5
311C34.6Very low40.3Very low118 Ų118143.8 Ų143.880%0.79779%0.794SS**  trans-34.1137.1176.1-54.80000119.1
312K44.4Very low39.9Very low208 Ų208148.3 Ų148.390%0.90480%0.795SS**  166.1136.5103.3-85.7-177.2-176-179.80112
313H43.5Very low39.4Very low186 Ų186149.8 Ų149.886%0.86179%0.794SS**  trans-107.9175.8-172.9-118.7-6.1000111.6
314P49.7Very low38.7Very low103 Ų103150 Ų15067%0.66979%0.789SS**  trans-110.2-154.9-135.437.2-16.2000112.1
315P42.5Very low38.3Very low106 Ų106146.6 Ų146.669%0.68879%0.787SS**  -157.916377.943.2-21.4000118.7
316T37.4Very low37.9Very low126 Ų126141.3 Ų141.377%0.77378%0.778SS**  trans36.8128.7141.754.90000123.1
317V39.5Very low37.9Very low140 Ų140139.2 Ų139.285%0.84878%0.776SS**  trans-135.7129.1143.71780000110.6
318S39.5Very low37.7Very low88 Ų88149.4 Ų149.462%0.61580%0.801SS**  trans-21.8131.7166.549.90000118.1
319E31.5Very low37.5Very low161 Ų161149.7 Ų149.775%0.75280%0.803SS**  76.9105.772.7-157.7176.7-146.100113.5
320W32.1Very low37.1Very low221 Ų221148 Ų14884%0.83780%0.8SS**  trans-142.6100.1152-79100.5000108.7Y322W320-Y322 AromaticContact CE3-CE2 3.92Å; W320-Y322 HydrophobicContact CE3-CE2 3.92Å; W320-Y322 HydrophobicContact CZ3-CE2 4.24Å
321H33.3Very low37Very low153 Ų153151.8 Ų151.871%0.70880%0.799SS**  trans-85.5136.9162.8-95.5-156.3000109.5
322Y34.8Very low37.2Very low212 Ų212153.8 Ų153.883%0.83180%0.799SS**  trans-133.1113.2152.2-87.8-76.8000109.5W320W320-Y322 AromaticContact CE3-CE2 3.92Å; W320-Y322 HydrophobicContact CE3-CE2 3.92Å; W320-Y322 HydrophobicContact CZ3-CE2 4.24Å
323S31.6Very low36.7Very low103 Ų103150.4 Ų150.472%0.7279%0.792SS**  trans-101.9132.8174-66.50000110.8
324V30.3Very low36.3Very low130 Ų130148 Ų14879%0.78879%0.788SS**  trans10.8134.6147.7-1700000119.4
325S32.3Very low35.3Very low121 Ų121151.2 Ų151.285%0.84680%0.796SS**  trans-143.8109.6140-84.50000111.1
326A31.8Very low34.8Very low90 Ų90154.7 Ų154.774%0.74481%0.805SS**  trans-74.1137.1156.700000108.1
327N40.9Very low34.6Very low150 Ų150157.1 Ų157.180%0.80281%0.807SS**  trans-135.3127.5165.7-117.2-15.6000109.2
328R37.1Very low34.1Very low316 Ų316158.6 Ų158.6100%1.19280%0.803SS**  trans19.60162-71-179-171.2-169.22119.3

Retrieved 328 of 328 residues in 178.7 ms (Link to these results)