A0A087XVJ7_POEFO Loading...

Small RNA binding exonuclease protection factor La

AlphaFold DB , UniProt , Accession A0A087XVJ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 400 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
1M34.6Very low57.7Low248 Ų248125.1 Ų125.1100%1.22270%0.699SS**  079.20-61.1-68.3-147.600107.3
2A45.3Very low60.1Low93 Ų93116.3 Ų116.377%0.76965%0.649SS**  trans-97.5114.4171.400000105.7
3E35.8Very low62Low184 Ų184113.5 Ų113.586%0.8663%0.629SS**  trans-163.9113.9171.2-104.9153.4-145.800109.2
4N39.5Very low63.7Low142 Ų142113.6 Ų113.676%0.75962%0.62SS**  trans65.958.2159.1-65.1-5.9000121.8
5Q44.1Very low65.4Low187 Ų187106 Ų10687%0.87458%0.578SS**SBendtrans-97.5-1162.9-72.7-174.7-3.300115
6G54Low66.8Low78 Ų7899.6 Ų99.680%0.80454%0.544SS*.SBendtrans-99.3-19.4-171.400000116.9
7E60.3Low67.9Low161 Ų161101.4 Ų101.475%0.75254%0.541SS*.SBendtrans-102.8123.4-178.6-75.2-174.6156.700110.5S9E7-S9 PolarHBondContact O-N 2.65Å
8M70.1Confident69.1Low52 Ų5296.6 Ų96.626%0.25651%0.514SS..PPolyproline II helixtrans-66.1131.3169.4-85.5-164.7-87.400108.9E12 M13 K72M8-E12 WeakPolarHBondContact CA-OE2 3.4Å; M8-E12 HydrophobicContact CB-CB 4.28Å; M8-E12 HydrophobicContact CG-CB 4.37Å; M8-M13 HydrophobicContact CB-CG 3.57Å; M8-M13 HydrophobicContact CE-CG 4.34Å; M8-M13 HydrophobicContact CG-CG 4.47Å; M8-M13 HydrophobicContact SD-CG 4.15Å; M8-K72 HydrophobicContact CG-CB 3.55Å; M8-K72 HydrophobicContact CG-CD 3.87Å; M8-K72 HydrophobicContact CG-CG 4.37Å; M8-K72 HydrophobicContact SD-CB 4.01Å
9S82.7Confident70.1Confident47 Ų4791.5 Ų91.533%0.32949%0.487SS..PPolyproline II helixtrans-61.5154.5170.183.80000110.1E7 I11 E12 M13E7-S9 PolarHBondContact O-N 2.65Å; S9-I11 PolarHBondContact O-N 2.79Å; S9-I11 VanDerWaalsContact O-N 3.11Å; S9-I11 PolarHBondContact OG-N 3.01Å; S9-E12 PolarHBondContact N-OE2 2.76Å; S9-E12 PolarHBondContact O-N 2.86Å; S9-E12 WeakPolarHBondContact OG-CG 3.48Å; S9-E12 PolarHBondContact OG-N 3.28Å; S9-M13 PolarHBondContact O-N 2.83Å
10P82.8Confident71Confident91 Ų9188.7 Ų88.759%0.59147%0.471SS*.Hα-helixtrans-54.3-32.2175.2-26.634.6000113.1K14P10-K14 WeakPolarHBondContact O-CG 3.25Å; P10-K14 PolarHBondContact O-N 3.32Å
11I85.3Confident71.8Confident93 Ų9388.1 Ų88.148%0.47746%0.463SS..Hα-helixtrans-71.8-46.5176.5-60.4171.4000110.1S9 M13 K14 V15S9-I11 PolarHBondContact O-N 2.79Å; S9-I11 VanDerWaalsContact O-N 3.11Å; S9-I11 PolarHBondContact OG-N 3.01Å; I11-M13 VanDerWaalsContact C-N 3.31Å; I11-M13 PolarHBondContact O-N 3.12Å; I11-K14 PolarHBondContact O-N 3.5Å; I11-K14 VanDerWaalsContact O-N 3.16Å; I11-V15 HydrophobicContact CG2-CG2 4.3Å; I11-V15 WeakPolarHBondContact O-CB 3.45Å; I11-V15 VanDerWaalsContact O-CG2 3.31Å; I11-V15 WeakPolarHBondContact O-CG2 3.35Å; I11-V15 PolarHBondContact O-N 3.09Å
12E86.4Confident74.4Confident20 Ų2077.1 Ų77.19%0.09341%0.408CS..Hα-helixtrans-59.2-41.3176.5-72.8176.8148.900111.3M8 S9 K14 V15 A16 V65 S68 A69 K72M8-E12 WeakPolarHBondContact CA-OE2 3.4Å; M8-E12 HydrophobicContact CB-CB 4.28Å; M8-E12 HydrophobicContact CG-CB 4.37Å; S9-E12 PolarHBondContact N-OE2 2.76Å; S9-E12 PolarHBondContact O-N 2.86Å; S9-E12 WeakPolarHBondContact OG-CG 3.48Å; S9-E12 PolarHBondContact OG-N 3.28Å; E12-K14 PolarHBondContact O-N 3.24Å; E12-V15 PolarHBondContact O-N 3.48Å; E12-A16 WeakPolarHBondContact O-CB 3.38Å; E12-A16 PolarHBondContact O-N 3.25Å; E12-V65 HydrophobicContact CG-CG1 4.39Å; E12-S68 PolarHBondContact OE1-OG 2.87Å; E12-A69 HydrophobicContact CB-CB 3.88Å; E12-A69 HydrophobicContact CG-CB 4.16Å; E12-A69 WeakPolarHBondContact O-CB 3.49Å; E12-K72 VanDerWaalsContact CD-NZ 3.26Å; E12-K72 IonicContact OE1-NZ 2.79Å; E12-K72 PolarHBondContact OE1-NZ 2.94Å; E12-K72 IonicContact OE2-NZ 2.73Å; E12-K72 PolarHBondContact OE2-NZ 3.08Å
13M84.4Confident76.4Confident80 Ų8072.7 Ų72.739%0.39437%0.372SS..Hα-helixtrans-62.4-43.4175-70.2-165.3-6500112.6M8 S9 I11 R17M8-M13 HydrophobicContact CB-CG 3.57Å; M8-M13 HydrophobicContact CE-CG 4.34Å; M8-M13 HydrophobicContact CG-CG 4.47Å; M8-M13 HydrophobicContact SD-CG 4.15Å; S9-M13 PolarHBondContact O-N 2.83Å; I11-M13 VanDerWaalsContact C-N 3.31Å; I11-M13 PolarHBondContact O-N 3.12Å; M13-R17 WeakPolarHBondContact O-CB 3.39Å; M13-R17 VanDerWaalsContact O-CG 3.27Å; M13-R17 WeakPolarHBondContact O-CG 3.46Å; M13-R17 PolarHBondContact O-N 3.39Å
14K86Confident78.7Confident114 Ų11464.6 Ų64.650%0.49634%0.337SS..Hα-helixtrans-64.9-41.3177.1-74.6-178.6-179.4-169.80111.1P10 I11 E12 Q18 L59P10-K14 WeakPolarHBondContact O-CG 3.25Å; P10-K14 PolarHBondContact O-N 3.32Å; I11-K14 PolarHBondContact O-N 3.5Å; I11-K14 VanDerWaalsContact O-N 3.16Å; E12-K14 PolarHBondContact O-N 3.24Å; K14-Q18 VanDerWaalsContact O-CB 3.25Å; K14-Q18 WeakPolarHBondContact O-CB 3.38Å; K14-Q18 PolarHBondContact O-N 3.21Å; K14-L59 HydrophobicContact CB-CD1 4.11Å; K14-L59 HydrophobicContact CB-CD2 4.17Å; K14-L59 HydrophobicContact CD-CD2 4.28Å
15V88.9Confident80.9Confident0 Ų059.9 Ų59.90%031%0.312CS..Hα-helixtrans-63-51.7176.2167.80000110.7I11 E12 R17 Q18 V19 L56 L59 T60 V66 A69I11-V15 HydrophobicContact CG2-CG2 4.3Å; I11-V15 WeakPolarHBondContact O-CB 3.45Å; I11-V15 VanDerWaalsContact O-CG2 3.31Å; I11-V15 WeakPolarHBondContact O-CG2 3.35Å; I11-V15 PolarHBondContact O-N 3.09Å; E12-V15 PolarHBondContact O-N 3.48Å; V15-R17 PolarHBondContact O-N 3.2Å; V15-Q18 PolarHBondContact O-N 2.73Å; V15-Q18 VanDerWaalsContact O-N 3.13Å; V15-V19 HydrophobicContact CG1-CG2 4.41Å; V15-V19 WeakPolarHBondContact O-CG2 3.29Å; V15-V19 PolarHBondContact O-N 3.2Å; V15-L56 HydrophobicContact CG1-CD1 3.95Å; V15-L56 HydrophobicContact CG2-CD1 4.36Å; V15-L59 HydrophobicContact CG2-CB 3.9Å; V15-L59 HydrophobicContact CG2-CD1 4.27Å; V15-T60 HydrophobicContact CG2-CG2 3.88Å; V15-V66 HydrophobicContact CG1-CB 4.38Å; V15-V66 HydrophobicContact CG1-CG1 4.35Å; V15-V66 HydrophobicContact CG1-CG2 4.11Å; V15-A69 HydrophobicContact CB-CB 4.19Å; V15-A69 HydrophobicContact CG1-CB 3.9Å
16A88.1Confident82.6Confident3 Ų352.6 Ų52.63%0.02528%0.278CS..Hα-helixtrans-56-51.6178.900000111.2E12 Q18 V19 E20 A69E12-A16 WeakPolarHBondContact O-CB 3.38Å; E12-A16 PolarHBondContact O-N 3.25Å; A16-Q18 VanDerWaalsContact C-N 3.3Å; A16-Q18 PolarHBondContact O-N 3.3Å; A16-V19 PolarHBondContact O-N 2.9Å; A16-E20 WeakPolarHBondContact O-CB 3.32Å; A16-E20 WeakPolarHBondContact O-CG 3.5Å; A16-E20 PolarHBondContact O-N 2.9Å; A16-A69 HydrophobicContact CB-CB 4.36Å
17R85.8Confident84.1Confident131 Ų13150.3 Ų50.349%0.49425%0.247SC..Hα-helixtrans-58.4-40.1176.9-72.8177.2-179.3-170.6-0.9112.7M13 V15 Y21M13-R17 WeakPolarHBondContact O-CB 3.39Å; M13-R17 VanDerWaalsContact O-CG 3.27Å; M13-R17 WeakPolarHBondContact O-CG 3.46Å; M13-R17 PolarHBondContact O-N 3.39Å; V15-R17 PolarHBondContact O-N 3.2Å; R17-Y21 VanDerWaalsContact O-CB 3.32Å; R17-Y21 WeakPolarHBondContact O-CB 3Å; R17-Y21 PolarHBondContact O-N 2.8Å
18Q88.8Confident85.3Confident14 Ų1442.8 Ų42.87%0.06521%0.212CC..Hα-helixtrans-70.2-39.7-178.3-17455.880.700112.1K14 V15 A16 Y22 R55 L59K14-Q18 VanDerWaalsContact O-CB 3.25Å; K14-Q18 WeakPolarHBondContact O-CB 3.38Å; K14-Q18 PolarHBondContact O-N 3.21Å; V15-Q18 PolarHBondContact O-N 2.73Å; V15-Q18 VanDerWaalsContact O-N 3.13Å; A16-Q18 VanDerWaalsContact C-N 3.3Å; A16-Q18 PolarHBondContact O-N 3.3Å; Q18-Y22 HydrophobicContact CG-CE2 3.86Å; Q18-Y22 VanDerWaalsContact O-CD2 3.26Å; Q18-Y22 WeakPolarHBondContact O-CD2 3.31Å; Q18-Y22 PolarHBondContact O-N 2.91Å; Q18-R55 HydrophobicContact CG-CB 4.28Å; Q18-R55 VanDerWaalsContact OE1-CZ 3.31Å; Q18-L59 HydrophobicContact CB-CD1 4.29Å
19V89.2Confident86Confident0 Ų041.3 Ų41.30%021%0.206CC..Hα-helixtrans-70.5-43.2176-176.60000110.3V15 A16 Y21 Y22 F23 M50 L56 V66 L70 L78 I87V15-V19 HydrophobicContact CG1-CG2 4.41Å; V15-V19 WeakPolarHBondContact O-CG2 3.29Å; V15-V19 PolarHBondContact O-N 3.2Å; A16-V19 PolarHBondContact O-N 2.9Å; V19-Y21 VanDerWaalsContact C-N 3.28Å; V19-Y21 PolarHBondContact O-N 3.44Å; V19-Y22 WeakPolarHBondContact O-CB 3.47Å; V19-Y22 PolarHBondContact O-N 2.93Å; V19-Y22 VanDerWaalsContact O-N 3.08Å; V19-F23 HydrophobicContact CG1-CD2 4.06Å; V19-F23 HydrophobicContact CG1-CE2 4.09Å; V19-F23 WeakPolarHBondContact O-CD2 3.42Å; V19-F23 PolarHBondContact O-N 2.8Å; V19-M50 HydrophobicContact CG1-CE 4.36Å; V19-L56 HydrophobicContact CG2-CD1 3.93Å; V19-L56 HydrophobicContact CG2-CD2 4.14Å; V19-V66 HydrophobicContact CG2-CG1 4.28Å; V19-L70 HydrophobicContact CB-CD2 4.15Å; V19-L70 HydrophobicContact CG1-CD1 4.33Å; V19-L70 HydrophobicContact CG1-CD2 4.1Å; V19-L78 HydrophobicContact CB-CD1 4.29Å; V19-L78 HydrophobicContact CG1-CD1 3.56Å; V19-I87 HydrophobicContact CG1-CD1 3.6Å
20E88.1Confident86Confident35 Ų3546.6 Ų46.616%0.16422%0.219CC..Hα-helixtrans-58.5-40174.3-74168.5176.800112.3A16 Y22 F23 G24 S73 S75 L77 L78A16-E20 WeakPolarHBondContact O-CB 3.32Å; A16-E20 WeakPolarHBondContact O-CG 3.5Å; A16-E20 PolarHBondContact O-N 2.9Å; E20-Y22 VanDerWaalsContact C-N 3.34Å; E20-Y22 PolarHBondContact O-N 2.86Å; E20-F23 CarbonylContact O-C 3.59Å; E20-F23 PolarHBondContact O-N 2.87Å; E20-G24 WeakPolarHBondContact O-CA 3.3Å; E20-G24 PolarHBondContact O-N 3.01Å; E20-S73 WeakPolarHBondContact OE1-CB 3.47Å; E20-S73 PolarHBondContact OE1-OG 3.35Å; E20-S75 WeakPolarHBondContact OE1-CB 2.98Å; E20-S75 PolarHBondContact OE1-OG 2.94Å; E20-L77 HydrophobicContact CB-CD2 4.41Å; E20-L78 HydrophobicContact CG-CD1 4.16Å
21Y87.9Confident86.2Confident77 Ų7743.8 Ų43.830%0.30220%0.199SC..Hα-helixtrans-61.1-42.4174.4179.7-95.3000112.1R17 V19 F23 G24 N27R17-Y21 VanDerWaalsContact O-CB 3.32Å; R17-Y21 WeakPolarHBondContact O-CB 3Å; R17-Y21 PolarHBondContact O-N 2.8Å; V19-Y21 VanDerWaalsContact C-N 3.28Å; V19-Y21 PolarHBondContact O-N 3.44Å; Y21-F23 VanDerWaalsContact C-N 3.34Å; Y21-F23 PolarHBondContact O-N 2.88Å; Y21-G24 PolarHBondContact O-N 2.79Å; Y21-G24 VanDerWaalsContact O-N 3.15Å; Y21-N27 HydrophobicContact CD1-CB 4.35Å; Y21-N27 HydrophobicContact CE1-CB 4.06Å; Y21-N27 WeakPolarHBondContact O-CB 3.41Å
22Y88.7Confident86.3Confident18 Ų1847.1 Ų47.17%0.07121%0.21CC..Hα-helixtrans-61.4-42.1-179.9-69.3-34.8000112.9Q18 V19 E20 G24 N27 L34 M50 F53 R55 L56Q18-Y22 HydrophobicContact CG-CE2 3.86Å; Q18-Y22 VanDerWaalsContact O-CD2 3.26Å; Q18-Y22 WeakPolarHBondContact O-CD2 3.31Å; Q18-Y22 PolarHBondContact O-N 2.91Å; V19-Y22 WeakPolarHBondContact O-CB 3.47Å; V19-Y22 PolarHBondContact O-N 2.93Å; V19-Y22 VanDerWaalsContact O-N 3.08Å; E20-Y22 VanDerWaalsContact C-N 3.34Å; E20-Y22 PolarHBondContact O-N 2.86Å; Y22-G24 VanDerWaalsContact C-N 3.33Å; Y22-N27 PolarHBondContact O-ND2 3.46Å; Y22-L34 WeakPolarHBondContact O-CD1 3.5Å; Y22-M50 HydrophobicContact CD2-CE 3.67Å; Y22-M50 HydrophobicContact CE2-CE 4.39Å; Y22-M50 HydrophobicContact CG-CE 4.47Å; Y22-F53 HydrophobicContact CD1-CD1 4.39Å; Y22-F53 HydrophobicContact CD2-CD1 4.3Å; Y22-F53 HydrophobicContact CE1-CD1 4.03Å; Y22-F53 HydrophobicContact CE2-CB 3.99Å; Y22-F53 AromaticContact CE2-CD1 3.91Å; Y22-F53 HydrophobicContact CE2-CD1 3.91Å; Y22-F53 HydrophobicContact CE2-CG 4.1Å; Y22-F53 AromaticContact CZ-CD1 3.77Å; Y22-R55 WeakPolarHBondContact OH-CB 3.2Å; Y22-L56 HydrophobicContact CE2-CB 4.3Å
23F87.4Confident86.5Confident0 Ų050.2 Ų50.20%022%0.224CC..THydrogen-bonded Turntrans-90.32.8177-69.2-93.8000113.4V19 E20 Y21 L34 L38 V45 M50 L78 I87 R89V19-F23 HydrophobicContact CG1-CD2 4.06Å; V19-F23 HydrophobicContact CG1-CE2 4.09Å; V19-F23 WeakPolarHBondContact O-CD2 3.42Å; V19-F23 PolarHBondContact O-N 2.8Å; E20-F23 CarbonylContact O-C 3.59Å; E20-F23 PolarHBondContact O-N 2.87Å; Y21-F23 VanDerWaalsContact C-N 3.34Å; Y21-F23 PolarHBondContact O-N 2.88Å; F23-L34 HydrophobicContact CZ-CD2 4.45Å; F23-L38 HydrophobicContact CE1-CD2 4.08Å; F23-V45 HydrophobicContact CE1-CG2 3.97Å; F23-V45 HydrophobicContact CZ-CB 4.1Å; F23-V45 HydrophobicContact CZ-CG2 3.91Å; F23-M50 HydrophobicContact CE2-CE 3.65Å; F23-M50 HydrophobicContact CE2-SD 3.85Å; F23-M50 HydrophobicContact CZ-CE 4.39Å; F23-M50 HydrophobicContact CZ-SD 3.99Å; F23-L78 HydrophobicContact CB-CD2 3.64Å; F23-L78 HydrophobicContact CD1-CD2 4.03Å; F23-L78 HydrophobicContact CD2-CD1 4.47Å; F23-L78 HydrophobicContact CD2-CD2 3.73Å; F23-L78 HydrophobicContact CE2-CD2 4.38Å; F23-L78 HydrophobicContact CG-CD2 3.54Å; F23-I87 HydrophobicContact CE2-CD1 3.71Å; F23-I87 HydrophobicContact CE2-CG1 4.28Å; F23-I87 HydrophobicContact CZ-CD1 4.07Å; F23-I87 HydrophobicContact CZ-CG1 4.12Å; F23-R89 HydrophobicContact CD1-CB 4.17Å; F23-R89 PolarHBondContact O-NH1 3.48Å
24G85.1Confident86.6Confident13 Ų1346.4 Ų46.413%0.13421%0.205CC..SBendtrans-74.5166.9-179.200000113.1E20 Y21 Y22 H26 N27 L28E20-G24 WeakPolarHBondContact O-CA 3.3Å; E20-G24 PolarHBondContact O-N 3.01Å; Y21-G24 PolarHBondContact O-N 2.79Å; Y21-G24 VanDerWaalsContact O-N 3.15Å; Y22-G24 VanDerWaalsContact C-N 3.33Å; G24-H26 PolarHBondContact O-N 3.06Å; G24-N27 PolarHBondContact O-N 2.99Å; G24-L28 WeakPolarHBondContact O-CB 3.31Å; G24-L28 PolarHBondContact O-N 3.29Å
25D84.1Confident86.7Confident43 Ų4345 Ų4523%0.2320%0.199CC..THydrogen-bonded Turntrans-65-24.7-172.2-62.1-8.9000113.6P29 R89 P96 Y102D25-P29 WeakPolarHBondContact O-CD 3.3Å; D25-P29 WeakPolarHBondContact O-CG 3.34Å; D25-R89 IonicContact OD1-CZ 2.83Å; D25-R89 IonicContact OD1-NH1 2.66Å; D25-R89 PolarHBondContact OD1-NH1 3.32Å; D25-R89 IonicContact OD1-NH2 3.14Å; D25-R89 PolarHBondContact OD1-NH2 2.84Å; D25-P96 HydrophobicContact CB-CG 3.88Å; D25-P96 WeakPolarHBondContact OD1-CD 3.47Å; D25-P96 WeakPolarHBondContact OD2-CD 3.46Å; D25-P96 WeakPolarHBondContact OD2-CG 3.27Å; D25-Y102 WeakPolarHBondContact CB-OH 3.27Å
26H79.8Confident86.7Confident34 Ų3450.4 Ų50.416%0.15722%0.224CC..THydrogen-bonded Turntrans-85-35.9-180-68.9-81.9000113.6G24 R109 E136 C155G24-H26 PolarHBondContact O-N 3.06Å; H26-R109 PolarHBondContact NE2-NH2 3.43Å; H26-E136 VanDerWaalsContact CD2-CD 3.44Å; H26-E136 IonicContact CD2-OE1 2.81Å; H26-E136 PolarHBondContact CD2-OE1 3.29Å; H26-E136 IonicContact NE2-OE1 2.98Å; H26-E136 PolarHBondContact NE2-OE1 2.75Å; H26-E136 IonicContact NE2-OE2 2.74Å; H26-E136 PolarHBondContact NE2-OE2 3.44Å; H26-C155 PolarHBondContact CE1-SG 3.06Å
27N87.1Confident86.7Confident30 Ų3052.3 Ų52.316%0.1623%0.232CC..THydrogen-bonded Turntrans-90.7-47.9-175.4-172.571.2000111.7Y21 Y22 G24 P29 R30 D31Y21-N27 HydrophobicContact CD1-CB 4.35Å; Y21-N27 HydrophobicContact CE1-CB 4.06Å; Y21-N27 WeakPolarHBondContact O-CB 3.41Å; Y22-N27 PolarHBondContact O-ND2 3.46Å; G24-N27 PolarHBondContact O-N 2.99Å; N27-P29 VanDerWaalsContact C-N 3.33Å; N27-R30 PolarHBondContact O-N 3.26Å; N27-D31 PolarHBondContact ND2-OD2 3.45Å; N27-D31 WeakPolarHBondContact O-CB 3.32Å; N27-D31 PolarHBondContact O-N 3Å
28L85.2Confident86.7Confident4 Ų447.8 Ų47.82%0.02122%0.218CC..THydrogen-bonded Turntrans-58.8-37.8-170.1-168.160.5000113.4G24 R30 L34 K35 L38 L95G24-L28 WeakPolarHBondContact O-CB 3.31Å; G24-L28 PolarHBondContact O-N 3.29Å; L28-R30 PolarHBondContact O-N 3.41Å; L28-L34 HydrophobicContact CD1-CB 3.83Å; L28-L34 HydrophobicContact CD1-CD1 4.33Å; L28-K35 WeakPolarHBondContact O-CE 3.09Å; L28-K35 WeakPolarHBondContact O-CG 3.37Å; L28-L38 HydrophobicContact CD1-CD1 3.66Å; L28-L38 HydrophobicContact CD2-CD1 3.88Å; L28-L38 HydrophobicContact CG-CD1 4.13Å; L28-L95 HydrophobicContact CB-CD2 4.17Å; L28-L95 HydrophobicContact CD2-CD1 3.85Å; L28-L95 HydrophobicContact CD2-CD2 4.14Å; L28-L95 HydrophobicContact CD2-CG 4.15Å; L28-L95 HydrophobicContact CG-CD1 4.14Å
29P84.3Confident86.6Confident20 Ų2054.9 Ų54.913%0.1325%0.251CS..THydrogen-bonded Turntrans-72.1-12.3174.9-21.735.9000115.4D25 N27 K35 L95D25-P29 WeakPolarHBondContact O-CD 3.3Å; D25-P29 WeakPolarHBondContact O-CG 3.34Å; N27-P29 VanDerWaalsContact C-N 3.33Å; P29-K35 WeakPolarHBondContact O-CE 3.45Å; P29-K35 PolarHBondContact O-NZ 2.91Å; P29-L95 HydrophobicContact CG-CD1 4.38Å; P29-L95 HydrophobicContact CG-CD2 3.93Å
30R81.9Confident86.5Confident159 Ų15961.1 Ų61.160%0.628%0.283SS*.THydrogen-bonded Turntrans-105-27.3178.8-67.3-180172.3-179.6-1.4112.5N27 L28 K32N27-R30 PolarHBondContact O-N 3.26Å; L28-R30 PolarHBondContact O-N 3.41Å; R30-K32 PolarHBondContact O-N 3.34Å; R30-K32 VanDerWaalsContact O-N 3.15Å
31D87.8Confident86.3Confident31 Ų3162.4 Ų62.417%0.16629%0.292CS..  trans-77.598.9-177.6-164.8-34.3000111.1N27 F33 L34 K35N27-D31 PolarHBondContact ND2-OD2 3.45Å; N27-D31 WeakPolarHBondContact O-CB 3.32Å; N27-D31 PolarHBondContact O-N 3Å; D31-F33 VanDerWaalsContact C-N 3.3Å; D31-F33 PolarHBondContact O-N 2.88Å; D31-F33 PolarHBondContact OD1-N 3.08Å; D31-F33 VanDerWaalsContact OD1-N 3.09Å; D31-L34 HydrophobicContact CB-CB 4.08Å; D31-L34 HydrophobicContact CB-CD1 4.18Å; D31-L34 HydrophobicContact CB-CG 4.43Å; D31-L34 PolarHBondContact OD1-N 3.26Å; D31-L34 WeakPolarHBondContact OD2-CD1 3.4Å; D31-K35 VanDerWaalsContact O-CG 3.31Å; D31-K35 WeakPolarHBondContact O-CG 3.07Å; D31-K35 PolarHBondContact O-N 2.65Å; D31-K35 VanDerWaalsContact O-N 3.12Å
32K87.4Confident86Confident163 Ų16365.7 Ų65.771%0.70931%0.314SS*.Hα-helixtrans-61.3-39.7178.6-65.6-175.3-179.9-178.60111.9R30 K35 E36R30-K32 PolarHBondContact O-N 3.34Å; R30-K32 VanDerWaalsContact O-N 3.15Å; K32-K35 PolarHBondContact O-N 2.96Å; K32-E36 VanDerWaalsContact O-CG 3.31Å; K32-E36 WeakPolarHBondContact O-CG 3.31Å; K32-E36 PolarHBondContact O-N 3.32Å
33F89.7Confident85.7Confident86 Ų8665.7 Ų65.738%0.37732%0.319SS..Hα-helixtrans-67-47.5-177.3176.4-100.4000111D31 K35 E36 Q37 T49 F53D31-F33 VanDerWaalsContact C-N 3.3Å; D31-F33 PolarHBondContact O-N 2.88Å; D31-F33 PolarHBondContact OD1-N 3.08Å; D31-F33 VanDerWaalsContact OD1-N 3.09Å; F33-K35 VanDerWaalsContact C-N 3.34Å; F33-K35 PolarHBondContact O-N 3.11Å; F33-E36 PolarHBondContact O-N 3.35Å; F33-Q37 HydrophobicContact CD1-CG 4.38Å; F33-Q37 HydrophobicContact CE1-CG 3.97Å; F33-Q37 HydrophobicContact CE2-CG 4.28Å; F33-Q37 HydrophobicContact CZ-CG 3.92Å; F33-Q37 WeakPolarHBondContact O-CG 3.36Å; F33-Q37 PolarHBondContact O-N 3.46Å; F33-T49 HydrophobicContact CE1-CG2 3.74Å; F33-T49 HydrophobicContact CZ-CG2 3.65Å; F33-F53 HydrophobicContact CD1-CE2 4.15Å; F33-F53 AromaticContact CD1-CZ 3.67Å; F33-F53 HydrophobicContact CD1-CZ 3.67Å; F33-F53 AromaticContact CE1-CE2 3.75Å; F33-F53 HydrophobicContact CE1-CE2 3.75Å; F33-F53 AromaticContact CE1-CZ 3.77Å; F33-F53 HydrophobicContact CE1-CZ 3.77Å
34L87.9Confident85.8Confident0 Ų068 Ų680%033%0.328CS..Hα-helixtrans-63-39.9176.4-78.5173.1000112.3Y22 F23 L28 D31 E36 Q37 L38 M50 F53Y22-L34 WeakPolarHBondContact O-CD1 3.5Å; F23-L34 HydrophobicContact CZ-CD2 4.45Å; L28-L34 HydrophobicContact CD1-CB 3.83Å; L28-L34 HydrophobicContact CD1-CD1 4.33Å; D31-L34 HydrophobicContact CB-CB 4.08Å; D31-L34 HydrophobicContact CB-CD1 4.18Å; D31-L34 HydrophobicContact CB-CG 4.43Å; D31-L34 PolarHBondContact OD1-N 3.26Å; D31-L34 WeakPolarHBondContact OD2-CD1 3.4Å; L34-E36 VanDerWaalsContact C-N 3.34Å; L34-E36 PolarHBondContact O-N 3.27Å; L34-Q37 PolarHBondContact O-N 3.03Å; L34-L38 VanDerWaalsContact O-CG 3.3Å; L34-L38 WeakPolarHBondContact O-CG 3.46Å; L34-L38 PolarHBondContact O-N 3.25Å; L34-M50 HydrophobicContact CD2-SD 4.17Å; L34-F53 HydrophobicContact CD1-CE1 4.16Å; L34-F53 HydrophobicContact CD1-CZ 4.24Å; L34-F53 HydrophobicContact CD2-CE1 4.26Å; L34-F53 HydrophobicContact CD2-CE2 4.28Å; L34-F53 HydrophobicContact CD2-CZ 3.52Å; L34-F53 HydrophobicContact CG-CE1 4.07Å; L34-F53 HydrophobicContact CG-CZ 3.72Å
35K87.4Confident86Confident84 Ų8467.5 Ų67.537%0.36532%0.322SS..Hα-helixtrans-59.6-44.4175.2-75.6-179-176.3-1700112.6L28 P29 D31 K32 F33 Q37 L38 Q39L28-K35 WeakPolarHBondContact O-CE 3.09Å; L28-K35 WeakPolarHBondContact O-CG 3.37Å; P29-K35 WeakPolarHBondContact O-CE 3.45Å; P29-K35 PolarHBondContact O-NZ 2.91Å; D31-K35 VanDerWaalsContact O-CG 3.31Å; D31-K35 WeakPolarHBondContact O-CG 3.07Å; D31-K35 PolarHBondContact O-N 2.65Å; D31-K35 VanDerWaalsContact O-N 3.12Å; K32-K35 PolarHBondContact O-N 2.96Å; F33-K35 VanDerWaalsContact C-N 3.34Å; F33-K35 PolarHBondContact O-N 3.11Å; K35-Q37 VanDerWaalsContact C-N 3.35Å; K35-L38 PolarHBondContact O-N 3.3Å; K35-Q39 WeakPolarHBondContact O-CG 3.4Å; K35-Q39 PolarHBondContact O-N 3.12Å
36E89.6Confident86.3Confident113 Ų11369.1 Ų69.153%0.52833%0.33SS..Hα-helixtrans-61.7-44.9176.6-74.3168.8-167.700110.6K32 F33 L34 L38 Q39 L40K32-E36 VanDerWaalsContact O-CG 3.31Å; K32-E36 WeakPolarHBondContact O-CG 3.31Å; K32-E36 PolarHBondContact O-N 3.32Å; F33-E36 PolarHBondContact O-N 3.35Å; L34-E36 VanDerWaalsContact C-N 3.34Å; L34-E36 PolarHBondContact O-N 3.27Å; E36-L38 PolarHBondContact O-N 2.79Å; E36-Q39 PolarHBondContact O-N 3.32Å; E36-L40 WeakPolarHBondContact O-CG 3.25Å
37Q87.9Confident86.7Confident44 Ų4467.7 Ų67.721%0.20632%0.323CS..Hα-helixtrans-62.3-40.9177.5-65.7-59.8-54.300112.6F33 L34 K35 Q39 L40 V45 T49F33-Q37 HydrophobicContact CD1-CG 4.38Å; F33-Q37 HydrophobicContact CE1-CG 3.97Å; F33-Q37 HydrophobicContact CE2-CG 4.28Å; F33-Q37 HydrophobicContact CZ-CG 3.92Å; F33-Q37 WeakPolarHBondContact O-CG 3.36Å; F33-Q37 PolarHBondContact O-N 3.46Å; L34-Q37 PolarHBondContact O-N 3.03Å; K35-Q37 VanDerWaalsContact C-N 3.35Å; Q37-Q39 PolarHBondContact O-N 3.44Å; Q37-L40 PolarHBondContact O-N 3.45Å; Q37-V45 HydrophobicContact CB-CG1 4.4Å; Q37-V45 HydrophobicContact CB-CG2 4.24Å; Q37-T49 HydrophobicContact CG-CG2 4.21Å
38L86.3Confident86.8Confident35 Ų3572.4 Ų72.418%0.18334%0.344CS..Hα-helixtrans-62.3-29177.1-73.5177.2000113.2F23 L28 L34 K35 E36 L40 G43 V45F23-L38 HydrophobicContact CE1-CD2 4.08Å; L28-L38 HydrophobicContact CD1-CD1 3.66Å; L28-L38 HydrophobicContact CD2-CD1 3.88Å; L28-L38 HydrophobicContact CG-CD1 4.13Å; L34-L38 VanDerWaalsContact O-CG 3.3Å; L34-L38 WeakPolarHBondContact O-CG 3.46Å; L34-L38 PolarHBondContact O-N 3.25Å; K35-L38 PolarHBondContact O-N 3.3Å; E36-L38 PolarHBondContact O-N 2.79Å; L38-L40 VanDerWaalsContact C-N 3.32Å; L38-G43 WeakPolarHBondContact CD2-O 3.33Å; L38-G43 VanDerWaalsContact O-CA 3.29Å; L38-G43 WeakPolarHBondContact O-CA 3.2Å; L38-G43 PolarHBondContact O-N 2.97Å; L38-V45 HydrophobicContact CD2-CG2 3.83Å; L38-V45 HydrophobicContact CG-CG2 4.37Å
39Q86.3Confident87.1Confident164 Ų16473 Ų7377%0.76635%0.348SS*.Hα-helixtrans-78.3-15.5179.8-72175.9100113.4K35 E36 Q37K35-Q39 WeakPolarHBondContact O-CG 3.4Å; K35-Q39 PolarHBondContact O-N 3.12Å; E36-Q39 PolarHBondContact O-N 3.32Å; Q37-Q39 PolarHBondContact O-N 3.44Å
40L86.9Confident87.3Confident130 Ų13072 Ų7268%0.68134%0.342SS*.Hα-helixtrans-78.5-33.2-175.4-65.4174.1000113E36 Q37 L38E36-L40 WeakPolarHBondContact O-CG 3.25Å; Q37-L40 PolarHBondContact O-N 3.45Å; L38-L40 VanDerWaalsContact C-N 3.32Å
41D84.5Confident87.6Confident63 Ų6366 Ų6634%0.33732%0.321SS..THydrogen-bonded Turntrans-14758.7-167.6-167.922.4000112.1G43 W44 K86D41-G43 PolarHBondContact O-N 2.97Å; D41-W44 HydrophobicContact CB-CB 4.3Å; D41-W44 VanDerWaalsContact O-CB 3.25Å; D41-W44 WeakPolarHBondContact O-CB 3.44Å; D41-W44 VanDerWaalsContact O-CD1 3.24Å; D41-W44 PolarHBondContact O-N 3.06Å; D41-K86 IonicContact OD2-NZ 2.74Å; D41-K86 PolarHBondContact OD2-NZ 2.84Å
42D81.5Confident87.7Confident146 Ų14671.5 Ų71.578%0.78134%0.343SS*.THydrogen-bonded Turntrans47.939176.6-77.6-16.9000114.6W44D42-W44 VanDerWaalsContact C-N 3.33Å; D42-W44 PolarHBondContact O-N 2.9Å
43G81.8Confident87.8Confident17 Ų1765 Ų6518%0.17532%0.315CS..THydrogen-bonded Turntrans82.11.5-178.800000115.4L38 D41 R88L38-G43 WeakPolarHBondContact CD2-O 3.33Å; L38-G43 VanDerWaalsContact O-CA 3.29Å; L38-G43 WeakPolarHBondContact O-CA 3.2Å; L38-G43 PolarHBondContact O-N 2.97Å; D41-G43 PolarHBondContact O-N 2.97Å; G43-R88 WeakPolarHBondContact O-CA 3.35Å; G43-R88 WeakPolarHBondContact O-CB 3.45Å
44W89.2Confident87.7Confident50 Ų5067.6 Ų67.619%0.18933%0.333CS..  trans-79.7133.4174.1-66.3105.3000112.1D41 D42 E79 S81 K86 R88D41-W44 HydrophobicContact CB-CB 4.3Å; D41-W44 VanDerWaalsContact O-CB 3.25Å; D41-W44 WeakPolarHBondContact O-CB 3.44Å; D41-W44 VanDerWaalsContact O-CD1 3.24Å; D41-W44 PolarHBondContact O-N 3.06Å; D42-W44 VanDerWaalsContact C-N 3.33Å; D42-W44 PolarHBondContact O-N 2.9Å; W44-E79 HydrophobicContact CH2-CB 4.43Å; W44-S81 VanDerWaalsContact CZ3-N 3.28Å; W44-K86 HydrophobicContact CB-CB 4.19Å; W44-K86 HydrophobicContact CB-CD 3.92Å; W44-K86 HydrophobicContact CD2-CB 4.36Å; W44-K86 HydrophobicContact CE3-CB 3.78Å; W44-K86 HydrophobicContact CG-CD 4.46Å; W44-R88 HydrophobicContact CD2-CB 4.05Å; W44-R88 HydrophobicContact CD2-CG 4.07Å; W44-R88 HydrophobicContact CE3-CB 3.76Å; W44-R88 HydrophobicContact CE3-CG 3.81Å; W44-R88 HydrophobicContact CH2-CG 3.83Å; W44-R88 HydrophobicContact CZ2-CG 4.09Å; W44-R88 HydrophobicContact CZ3-CB 4.09Å; W44-R88 HydrophobicContact CZ3-CG 3.68Å
45V90.1Very high87.7Confident1 Ų171.5 Ų71.51%0.00635%0.348CS..EExtended strand (participates in β ladder)trans-121.1126.8175.5-1740000108.8F23 Q37 L38 T49 M50 K86 I87F23-V45 HydrophobicContact CE1-CG2 3.97Å; F23-V45 HydrophobicContact CZ-CB 4.1Å; F23-V45 HydrophobicContact CZ-CG2 3.91Å; Q37-V45 HydrophobicContact CB-CG1 4.4Å; Q37-V45 HydrophobicContact CB-CG2 4.24Å; L38-V45 HydrophobicContact CD2-CG2 3.83Å; L38-V45 HydrophobicContact CG-CG2 4.37Å; V45-T49 HydrophobicContact CG1-CG2 4.34Å; V45-M50 HydrophobicContact CB-SD 4.46Å; V45-M50 HydrophobicContact CG1-CG 4.08Å; V45-M50 HydrophobicContact CG1-SD 3.71Å; V45-K86 CarbonylContact O-C 3.59Å; V45-K86 VanDerWaalsContact O-CA 3.32Å; V45-K86 WeakPolarHBondContact O-CA 3.43Å; V45-I87 PolarHBondContact N-O 2.79Å; V45-I87 PolarHBondContact O-N 3.36Å
46M90.5Very high87.7Confident78 Ų7867.5 Ų67.538%0.38433%0.331SS..EExtended strand (participates in β ladder)trans-64.2137.6177.2-68.2-171.465.300111.5E48 T49 M50 K86M46-E48 PolarHBondContact O-N 2.66Å; M46-T49 WeakPolarHBondContact O-CA 3.44Å; M46-T49 WeakPolarHBondContact O-CB 3.44Å; M46-T49 PolarHBondContact O-N 3.35Å; M46-M50 PolarHBondContact O-N 2.73Å; M46-M50 VanDerWaalsContact O-N 3.11Å; M46-K86 HydrophobicContact CG-CG 4.14Å
47L87.9Confident87.7Confident4 Ų468.2 Ų68.22%0.02133%0.332CS..Hα-helixtrans-60-32.9175.7-73.8175.9000112.1T49 M50 L51 V66 V67 K84 T85 I87L47-T49 VanDerWaalsContact C-N 3.25Å; L47-T49 PolarHBondContact O-N 3.19Å; L47-M50 WeakPolarHBondContact O-CA 3.49Å; L47-M50 WeakPolarHBondContact O-CB 3.37Å; L47-M50 PolarHBondContact O-N 2.57Å; L47-M50 VanDerWaalsContact O-N 3.08Å; L47-L51 WeakPolarHBondContact O-CG 3.44Å; L47-L51 PolarHBondContact O-N 2.49Å; L47-V66 HydrophobicContact CD2-CB 4.34Å; L47-V66 HydrophobicContact CD2-CG1 3.77Å; L47-V67 HydrophobicContact CD1-CG2 3.53Å; L47-K84 WeakPolarHBondContact CD1-O 3.47Å; L47-T85 WeakPolarHBondContact CB-O 3.33Å; L47-T85 WeakPolarHBondContact CG-O 3.34Å; L47-T85 PolarHBondContact N-O 3.03Å; L47-I87 HydrophobicContact CD2-CD1 4.18Å; L47-I87 HydrophobicContact CD2-CG1 4.26Å; L47-I87 HydrophobicContact CD2-CG2 3.68Å; L47-I87 HydrophobicContact CG-CG2 4.3Å
48E89.3Confident87.8Confident129 Ų12970.3 Ų70.360%0.60336%0.356SS*.Hα-helixtrans-58.4-38.7172.7-65.9-174.3176.200112.4M46M46-E48 PolarHBondContact O-N 2.66Å
49T90.1Very high87.8Confident15 Ų1571.5 Ų71.59%0.09236%0.363CS..Hα-helixtrans-68.6-40.4174.8-61.10000110.6F33 Q37 V45 M46 L47 L51 K52 F53F33-T49 HydrophobicContact CE1-CG2 3.74Å; F33-T49 HydrophobicContact CZ-CG2 3.65Å; Q37-T49 HydrophobicContact CG-CG2 4.21Å; V45-T49 HydrophobicContact CG1-CG2 4.34Å; M46-T49 WeakPolarHBondContact O-CA 3.44Å; M46-T49 WeakPolarHBondContact O-CB 3.44Å; M46-T49 PolarHBondContact O-N 3.35Å; L47-T49 VanDerWaalsContact C-N 3.25Å; L47-T49 PolarHBondContact O-N 3.19Å; T49-L51 VanDerWaalsContact C-N 3.33Å; T49-L51 PolarHBondContact O-N 3.45Å; T49-K52 WeakPolarHBondContact O-CB 3.2Å; T49-K52 PolarHBondContact O-N 3.47Å; T49-K52 VanDerWaalsContact O-N 3.14Å; T49-F53 WeakPolarHBondContact O-CD2 3.45Å
50M88.6Confident87.9Confident1 Ų164.3 Ų64.31%0.00533%0.33CS..Hα-helixtrans-62.1-38.7175.8-63.2-57.3-56.600112.5V19 Y22 F23 L34 V45 M46 L47 K52 F53 L56 I87V19-M50 HydrophobicContact CG1-CE 4.36Å; Y22-M50 HydrophobicContact CD2-CE 3.67Å; Y22-M50 HydrophobicContact CE2-CE 4.39Å; Y22-M50 HydrophobicContact CG-CE 4.47Å; F23-M50 HydrophobicContact CE2-CE 3.65Å; F23-M50 HydrophobicContact CE2-SD 3.85Å; F23-M50 HydrophobicContact CZ-CE 4.39Å; F23-M50 HydrophobicContact CZ-SD 3.99Å; L34-M50 HydrophobicContact CD2-SD 4.17Å; V45-M50 HydrophobicContact CB-SD 4.46Å; V45-M50 HydrophobicContact CG1-CG 4.08Å; V45-M50 HydrophobicContact CG1-SD 3.71Å; M46-M50 PolarHBondContact O-N 2.73Å; M46-M50 VanDerWaalsContact O-N 3.11Å; L47-M50 WeakPolarHBondContact O-CA 3.49Å; L47-M50 WeakPolarHBondContact O-CB 3.37Å; L47-M50 PolarHBondContact O-N 2.57Å; L47-M50 VanDerWaalsContact O-N 3.08Å; M50-K52 PolarHBondContact O-N 3.44Å; M50-F53 HydrophobicContact CE-CE2 4.44Å; M50-F53 WeakPolarHBondContact O-CB 3.13Å; M50-F53 VanDerWaalsContact O-CD2 3.23Å; M50-F53 WeakPolarHBondContact O-CD2 3.28Å; M50-F53 PolarHBondContact O-N 3.07Å; M50-F53 HydrophobicContact SD-CE2 4.07Å; M50-L56 HydrophobicContact CB-CD2 3.84Å; M50-L56 WeakPolarHBondContact O-CD2 3.4Å; M50-I87 HydrophobicContact CE-CD1 4.42Å; M50-I87 HydrophobicContact CG-CD1 3.86Å; M50-I87 HydrophobicContact CG-CG1 4.25Å; M50-I87 HydrophobicContact SD-CD1 4.37Å
51L88.9Confident87.9Confident32 Ų3263.3 Ų63.317%0.16833%0.329CS..THydrogen-bonded Turntrans-67.7-12.1177.4-68.9173.1000113.6L47 T49 F53 K57 T60 V66L47-L51 WeakPolarHBondContact O-CG 3.44Å; L47-L51 PolarHBondContact O-N 2.49Å; T49-L51 VanDerWaalsContact C-N 3.33Å; T49-L51 PolarHBondContact O-N 3.45Å; L51-F53 VanDerWaalsContact C-N 3.29Å; L51-K57 WeakPolarHBondContact O-CB 3.36Å; L51-T60 HydrophobicContact CD2-CG2 4.38Å; L51-V66 HydrophobicContact CD2-CG2 4.33Å
52K89.4Confident88Confident146 Ų14665.7 Ų65.764%0.63534%0.338SS*.THydrogen-bonded Turntrans-76.6-15.8171.1-63.5171.6-173.7169.20112.8T49 M50 N54T49-K52 WeakPolarHBondContact O-CB 3.2Å; T49-K52 PolarHBondContact O-N 3.47Å; T49-K52 VanDerWaalsContact O-N 3.14Å; M50-K52 PolarHBondContact O-N 3.44Å; K52-N54 PolarHBondContact O-N 3.45Å
53F89Confident88.3Confident27 Ų2760.9 Ų60.912%0.11832%0.316CS..SBendtrans-71.1125.4179.5-73.5-112.9000110.1Y22 F33 L34 T49 M50 L51 R55 L56 K57Y22-F53 HydrophobicContact CD1-CD1 4.39Å; Y22-F53 HydrophobicContact CD2-CD1 4.3Å; Y22-F53 HydrophobicContact CE1-CD1 4.03Å; Y22-F53 HydrophobicContact CE2-CB 3.99Å; Y22-F53 AromaticContact CE2-CD1 3.91Å; Y22-F53 HydrophobicContact CE2-CD1 3.91Å; Y22-F53 HydrophobicContact CE2-CG 4.1Å; Y22-F53 AromaticContact CZ-CD1 3.77Å; F33-F53 HydrophobicContact CD1-CE2 4.15Å; F33-F53 AromaticContact CD1-CZ 3.67Å; F33-F53 HydrophobicContact CD1-CZ 3.67Å; F33-F53 AromaticContact CE1-CE2 3.75Å; F33-F53 HydrophobicContact CE1-CE2 3.75Å; F33-F53 AromaticContact CE1-CZ 3.77Å; F33-F53 HydrophobicContact CE1-CZ 3.77Å; L34-F53 HydrophobicContact CD1-CE1 4.16Å; L34-F53 HydrophobicContact CD1-CZ 4.24Å; L34-F53 HydrophobicContact CD2-CE1 4.26Å; L34-F53 HydrophobicContact CD2-CE2 4.28Å; L34-F53 HydrophobicContact CD2-CZ 3.52Å; L34-F53 HydrophobicContact CG-CE1 4.07Å; L34-F53 HydrophobicContact CG-CZ 3.72Å; T49-F53 WeakPolarHBondContact O-CD2 3.45Å; M50-F53 HydrophobicContact CE-CE2 4.44Å; M50-F53 WeakPolarHBondContact O-CB 3.13Å; M50-F53 VanDerWaalsContact O-CD2 3.23Å; M50-F53 WeakPolarHBondContact O-CD2 3.28Å; M50-F53 PolarHBondContact O-N 3.07Å; M50-F53 HydrophobicContact SD-CE2 4.07Å; L51-F53 VanDerWaalsContact C-N 3.29Å; F53-R55 VanDerWaalsContact C-N 3.29Å; F53-R55 PolarHBondContact O-N 3.06Å; F53-R55 VanDerWaalsContact O-N 3.13Å; F53-L56 HydrophobicContact CB-CB 4.26Å; F53-L56 PolarHBondContact O-N 2.81Å; F53-L56 VanDerWaalsContact O-N 3.08Å; F53-K57 WeakPolarHBondContact O-CB 3.23Å; F53-K57 PolarHBondContact O-N 3.08Å
54N89.4Confident88.5Confident141 Ų14163.4 Ų63.475%0.75433%0.332SS*.Hα-helixtrans-54.3-39.4-171.4-68.6-19.8000114.2K52 A58K52-N54 PolarHBondContact O-N 3.45Å; N54-A58 PolarHBondContact O-N 3.29Å
55R86.6Confident88.5Confident82 Ų8262.8 Ų62.831%0.30933%0.333SS..Hα-helixtrans-76.7-37.1179.7-59.2-167.275.4-167.27.9112.6Q18 Y22 F53 A58 L59 D123Q18-R55 HydrophobicContact CG-CB 4.28Å; Q18-R55 VanDerWaalsContact OE1-CZ 3.31Å; Y22-R55 WeakPolarHBondContact OH-CB 3.2Å; F53-R55 VanDerWaalsContact C-N 3.29Å; F53-R55 PolarHBondContact O-N 3.06Å; F53-R55 VanDerWaalsContact O-N 3.13Å; R55-A58 PolarHBondContact O-N 3.11Å; R55-L59 WeakPolarHBondContact O-CG 3.46Å; R55-L59 PolarHBondContact O-N 3.18Å; R55-D123 IonicContact NH2-OD1 3.19Å; R55-D123 PolarHBondContact NH2-OD1 3.34Å
56L88.5Confident88.3Confident0 Ų062.8 Ų62.80%033%0.333CS..Hα-helixtrans-67.6-42.9176-17062000110.8V15 V19 Y22 M50 F53 A58 L59 T60V15-L56 HydrophobicContact CG1-CD1 3.95Å; V15-L56 HydrophobicContact CG2-CD1 4.36Å; V19-L56 HydrophobicContact CG2-CD1 3.93Å; V19-L56 HydrophobicContact CG2-CD2 4.14Å; Y22-L56 HydrophobicContact CE2-CB 4.3Å; M50-L56 HydrophobicContact CB-CD2 3.84Å; M50-L56 WeakPolarHBondContact O-CD2 3.4Å; F53-L56 HydrophobicContact CB-CB 4.26Å; F53-L56 PolarHBondContact O-N 2.81Å; F53-L56 VanDerWaalsContact O-N 3.08Å; L56-A58 PolarHBondContact O-N 2.94Å; L56-L59 PolarHBondContact O-N 3.05Å; L56-T60 HydrophobicContact CD1-CG2 4.27Å; L56-T60 PolarHBondContact O-N 3.15Å; L56-T60 VanDerWaalsContact O-O 3.13Å
57K90.1Very high88.2Confident128 Ų12859.5 Ų59.556%0.55732%0.317SS*.Hα-helixtrans-57.9-34.4175.9-170.6178.4177.7-178.30113.3L51 F53 L59L51-K57 WeakPolarHBondContact O-CB 3.36Å; F53-K57 WeakPolarHBondContact O-CB 3.23Å; F53-K57 PolarHBondContact O-N 3.08Å; K57-L59 VanDerWaalsContact C-N 3.29Å
58A88.4Confident88.2Confident87 Ų8760.8 Ų60.872%0.71933%0.327SS*.Hα-helixtrans-72-22.9176.800000113.1N54 R55 L56N54-A58 PolarHBondContact O-N 3.29Å; R55-A58 PolarHBondContact O-N 3.11Å; L56-A58 PolarHBondContact O-N 2.94Å
59L86.8Confident88.1Confident60 Ų6054.7 Ų54.731%0.31430%0.298SS..Hα-helixtrans-93.2-40.7-179.8-66.3172.5000112.5K14 V15 Q18 R55 L56 K57K14-L59 HydrophobicContact CB-CD1 4.11Å; K14-L59 HydrophobicContact CB-CD2 4.17Å; K14-L59 HydrophobicContact CD-CD2 4.28Å; V15-L59 HydrophobicContact CG2-CB 3.9Å; V15-L59 HydrophobicContact CG2-CD1 4.27Å; Q18-L59 HydrophobicContact CB-CD1 4.29Å; R55-L59 WeakPolarHBondContact O-CG 3.46Å; R55-L59 PolarHBondContact O-N 3.18Å; L56-L59 PolarHBondContact O-N 3.05Å; K57-L59 VanDerWaalsContact C-N 3.29Å
60T88.3Confident87.9Confident14 Ų1454.7 Ų54.79%0.08630%0.298CS..  trans-154.3148.5-178.8-175.90000111.4V15 L51 L56 E62 V66V15-T60 HydrophobicContact CG2-CG2 3.88Å; L51-T60 HydrophobicContact CD2-CG2 4.38Å; L56-T60 HydrophobicContact CD1-CG2 4.27Å; L56-T60 PolarHBondContact O-N 3.15Å; L56-T60 VanDerWaalsContact O-O 3.13Å; T60-E62 PolarHBondContact OG1-N 2.98Å; T60-E62 VanDerWaalsContact OG1-N 3.11Å; T60-E62 PolarHBondContact OG1-O 3.09Å; T60-V66 HydrophobicContact CG2-CG2 3.61Å
61T87.1Confident87.7Confident108 Ų10860.2 Ų60.266%0.66332%0.323SS*.SBendtrans-109.7-6.4170.150.20000112.3
62E87.1Confident87.5Confident113 Ų11362.1 Ų62.153%0.52833%0.33SS..  trans-103125.8-175-62.1-168.8179.700111.5T60 S64 V65T60-E62 PolarHBondContact OG1-N 2.98Å; T60-E62 VanDerWaalsContact OG1-N 3.11Å; T60-E62 PolarHBondContact OG1-O 3.09Å; E62-S64 WeakPolarHBondContact CB-OG 3.37Å; E62-S64 PolarHBondContact O-N 3.43Å; E62-S64 PolarHBondContact OE2-OG 2.89Å; E62-V65 HydrophobicContact CB-CG2 4.06Å; E62-V65 PolarHBondContact O-N 3.34Å
63S87.3Confident87Confident45 Ų4556.4 Ų56.432%0.31531%0.309SS..Hα-helixtrans-63-31.1176.3-53.60000112.5V65 V66 V67S63-V65 PolarHBondContact O-N 3.45Å; S63-V66 PolarHBondContact O-N 3.18Å; S63-V67 WeakPolarHBondContact O-CG2 3.35Å; S63-V67 PolarHBondContact O-N 3.14Å
64S86.9Confident86.1Confident71 Ų7164.8 Ų64.850%0.49735%0.345SS..Hα-helixtrans-57.6-45.6177.449.60000112.1E62 V66 V67 S68E62-S64 WeakPolarHBondContact CB-OG 3.37Å; E62-S64 PolarHBondContact O-N 3.43Å; E62-S64 PolarHBondContact OE2-OG 2.89Å; S64-V66 VanDerWaalsContact C-N 3.35Å; S64-V67 PolarHBondContact O-N 3.05Å; S64-S68 PolarHBondContact O-N 3.11Å
65V87.6Confident85.1Confident36 Ų3660 Ų6022%0.21832%0.322CS..Hα-helixtrans-67.4-36.6180179.80000111.2E12 E62 S63 S68 A69E12-V65 HydrophobicContact CG-CG1 4.39Å; E62-V65 HydrophobicContact CB-CG2 4.06Å; E62-V65 PolarHBondContact O-N 3.34Å; S63-V65 PolarHBondContact O-N 3.45Å; V65-S68 PolarHBondContact O-OG 3.02Å; V65-S68 VanDerWaalsContact O-OG 3.06Å; V65-A69 WeakPolarHBondContact O-CB 3.33Å; V65-A69 PolarHBondContact O-N 3Å
66V87.1Confident84.4Confident1 Ų158.3 Ų58.31%0.00633%0.331CS..Hα-helixtrans-65.2-44.6175.5-178.10000110.2V15 V19 L47 L51 T60 S63 S64 A69 L70V15-V66 HydrophobicContact CG1-CB 4.38Å; V15-V66 HydrophobicContact CG1-CG1 4.35Å; V15-V66 HydrophobicContact CG1-CG2 4.11Å; V19-V66 HydrophobicContact CG2-CG1 4.28Å; L47-V66 HydrophobicContact CD2-CB 4.34Å; L47-V66 HydrophobicContact CD2-CG1 3.77Å; L51-V66 HydrophobicContact CD2-CG2 4.33Å; T60-V66 HydrophobicContact CG2-CG2 3.61Å; S63-V66 PolarHBondContact O-N 3.18Å; S64-V66 VanDerWaalsContact C-N 3.35Å; V66-A69 PolarHBondContact O-N 3.36Å; V66-L70 HydrophobicContact CG1-CD1 3.95Å; V66-L70 HydrophobicContact CG1-CG 4.42Å; V66-L70 WeakPolarHBondContact O-CB 3.43Å; V66-L70 VanDerWaalsContact O-CG 3.25Å; V66-L70 WeakPolarHBondContact O-CG 3.47Å; V66-L70 PolarHBondContact O-N 3.15Å
67V87.9Confident84Confident10 Ų1059.5 Ų59.56%0.06134%0.337CS..Hα-helixtrans-64.5-45.6178173.50000111.2L47 S63 S64 A69 L70 Q71 I80 K84L47-V67 HydrophobicContact CD1-CG2 3.53Å; S63-V67 WeakPolarHBondContact O-CG2 3.35Å; S63-V67 PolarHBondContact O-N 3.14Å; S64-V67 PolarHBondContact O-N 3.05Å; V67-A69 VanDerWaalsContact C-N 3.34Å; V67-A69 PolarHBondContact O-N 3.32Å; V67-L70 PolarHBondContact O-N 2.82Å; V67-Q71 HydrophobicContact CG1-CG 4.28Å; V67-Q71 WeakPolarHBondContact O-CB 3.4Å; V67-Q71 VanDerWaalsContact O-CG 3.27Å; V67-Q71 WeakPolarHBondContact O-CG 3.26Å; V67-Q71 PolarHBondContact O-N 3.36Å; V67-I80 HydrophobicContact CG1-CD1 4.16Å; V67-I80 HydrophobicContact CG1-CG2 4.33Å; V67-I80 HydrophobicContact CG2-CG2 4.45Å; V67-K84 HydrophobicContact CG1-CB 4.25Å; V67-K84 HydrophobicContact CG1-CD 4.1Å; V67-K84 HydrophobicContact CG1-CG 4.17Å; V67-K84 HydrophobicContact CG2-CB 4.21Å
68S87.3Confident83.8Confident31 Ų3154.6 Ų54.622%0.21732%0.317CS..Hα-helixtrans-62.9-41.3178.369.80000111.8E12 S64 V65 Q71 K72E12-S68 PolarHBondContact OE1-OG 2.87Å; S64-S68 PolarHBondContact O-N 3.11Å; V65-S68 PolarHBondContact O-OG 3.02Å; V65-S68 VanDerWaalsContact O-OG 3.06Å; S68-Q71 PolarHBondContact O-N 3.2Å; S68-K72 WeakPolarHBondContact O-CB 3.06Å; S68-K72 VanDerWaalsContact O-CG 3.28Å; S68-K72 WeakPolarHBondContact O-CG 3.19Å; S68-K72 PolarHBondContact O-N 3.43Å
69A87.9Confident83.7Confident0 Ų053 Ų530%029%0.294CS..Hα-helixtrans-61.2-45.6176.200000112E12 V15 A16 V65 V66 V67 K72 S73E12-A69 HydrophobicContact CB-CB 3.88Å; E12-A69 HydrophobicContact CG-CB 4.16Å; E12-A69 WeakPolarHBondContact O-CB 3.49Å; V15-A69 HydrophobicContact CB-CB 4.19Å; V15-A69 HydrophobicContact CG1-CB 3.9Å; A16-A69 HydrophobicContact CB-CB 4.36Å; V65-A69 WeakPolarHBondContact O-CB 3.33Å; V65-A69 PolarHBondContact O-N 3Å; V66-A69 PolarHBondContact O-N 3.36Å; V67-A69 VanDerWaalsContact C-N 3.34Å; V67-A69 PolarHBondContact O-N 3.32Å; A69-K72 PolarHBondContact O-N 3.2Å; A69-S73 PolarHBondContact O-N 3.22Å
70L85.5Confident83.8Confident16 Ų1652.1 Ų52.18%0.08429%0.289CS..Hα-helixtrans-69.4-38.1179.5-70.2175.9000112.4V19 V66 V67 K72 S73 L78 I80 I87V19-L70 HydrophobicContact CB-CD2 4.15Å; V19-L70 HydrophobicContact CG1-CD1 4.33Å; V19-L70 HydrophobicContact CG1-CD2 4.1Å; V66-L70 HydrophobicContact CG1-CD1 3.95Å; V66-L70 HydrophobicContact CG1-CG 4.42Å; V66-L70 WeakPolarHBondContact O-CB 3.43Å; V66-L70 VanDerWaalsContact O-CG 3.25Å; V66-L70 WeakPolarHBondContact O-CG 3.47Å; V66-L70 PolarHBondContact O-N 3.15Å; V67-L70 PolarHBondContact O-N 2.82Å; L70-K72 VanDerWaalsContact C-N 3.32Å; L70-K72 PolarHBondContact O-N 3.43Å; L70-S73 WeakPolarHBondContact O-CB 3.45Å; L70-S73 PolarHBondContact O-N 3.46Å; L70-L78 HydrophobicContact CD2-CD1 3.52Å; L70-I80 HydrophobicContact CB-CD1 3.65Å; L70-I80 HydrophobicContact CB-CG1 4.27Å; L70-I87 HydrophobicContact CD1-CD1 4.21Å; L70-I87 HydrophobicContact CD1-CG2 3.76Å
71Q85.3Confident83.8Confident116 Ų11652.5 Ų52.554%0.54229%0.293SS..Hα-helixtrans-65.3-34.8175.9-74.4-176.9-22.400112.9V67 S68 S73 I80V67-Q71 HydrophobicContact CG1-CG 4.28Å; V67-Q71 WeakPolarHBondContact O-CB 3.4Å; V67-Q71 VanDerWaalsContact O-CG 3.27Å; V67-Q71 WeakPolarHBondContact O-CG 3.26Å; V67-Q71 PolarHBondContact O-N 3.36Å; S68-Q71 PolarHBondContact O-N 3.2Å; Q71-S73 VanDerWaalsContact C-N 3.32Å; Q71-I80 HydrophobicContact CG-CD1 3.56Å
72K83.9Confident83.6Confident72 Ų7256.4 Ų56.431%0.31330%0.304SS..Hα-helixtrans-81.8-12.1176-67.2172.8-177.2174.10112.9M8 E12 S68 A69 L70M8-K72 HydrophobicContact CG-CB 3.55Å; M8-K72 HydrophobicContact CG-CD 3.87Å; M8-K72 HydrophobicContact CG-CG 4.37Å; M8-K72 HydrophobicContact SD-CB 4.01Å; E12-K72 VanDerWaalsContact CD-NZ 3.26Å; E12-K72 IonicContact OE1-NZ 2.79Å; E12-K72 PolarHBondContact OE1-NZ 2.94Å; E12-K72 IonicContact OE2-NZ 2.73Å; E12-K72 PolarHBondContact OE2-NZ 3.08Å; S68-K72 WeakPolarHBondContact O-CB 3.06Å; S68-K72 VanDerWaalsContact O-CG 3.28Å; S68-K72 WeakPolarHBondContact O-CG 3.19Å; S68-K72 PolarHBondContact O-N 3.43Å; A69-K72 PolarHBondContact O-N 3.2Å; L70-K72 VanDerWaalsContact C-N 3.32Å; L70-K72 PolarHBondContact O-N 3.43Å
73S78.6Confident83.5Confident26 Ų2657.1 Ų57.118%0.18231%0.311CS..  trans-69.9139.3-179.3-173.70000111.5E20 A69 L70 Q71 S75E20-S73 WeakPolarHBondContact OE1-CB 3.47Å; E20-S73 PolarHBondContact OE1-OG 3.35Å; A69-S73 PolarHBondContact O-N 3.22Å; L70-S73 WeakPolarHBondContact O-CB 3.45Å; L70-S73 PolarHBondContact O-N 3.46Å; Q71-S73 VanDerWaalsContact C-N 3.32Å; S73-S75 PolarHBondContact OG-N 2.87Å
74K69.9Low83.5Confident204 Ų20460.3 Ų60.389%0.88732%0.319SS*.SBendtrans-91.8-2.6179.4-61.2-179.1-178.1177.90113.2G76K74-G76 VanDerWaalsContact C-N 3.31Å; K74-G76 PolarHBondContact O-N 3.28Å
75S68.8Low83.5Confident39 Ų3960 Ų6027%0.27332%0.315SS..SBendtrans-70.1-28.6-17573.60000113E20 S73 L77 K93E20-S75 WeakPolarHBondContact OE1-CB 2.98Å; E20-S75 PolarHBondContact OE1-OG 2.94Å; S73-S75 PolarHBondContact OG-N 2.87Å; S75-L77 PolarHBondContact O-N 3.13Å; S75-L77 PolarHBondContact OG-N 3.43Å; S75-K93 PolarHBondContact O-NZ 3.22Å
76G72.8Confident83.5Confident47 Ų4761 Ų6149%0.48532%0.316SS..  trans55.421.3-17400000113.4K74K74-G76 VanDerWaalsContact C-N 3.31Å; K74-G76 PolarHBondContact O-N 3.28Å
77L79.7Confident83.7Confident25 Ų2561 Ų6113%0.13132%0.316CS..  trans-79.9-26.7-178.5-175.266.7000111.9E20 S75 R89 S90 K93E20-L77 HydrophobicContact CB-CD2 4.41Å; S75-L77 PolarHBondContact O-N 3.13Å; S75-L77 PolarHBondContact OG-N 3.43Å; L77-R89 HydrophobicContact CD1-CG 4.38Å; L77-S90 PolarHBondContact O-N 3.45Å; L77-K93 HydrophobicContact CD1-CB 4.23Å; L77-K93 HydrophobicContact CD1-CD 4.1Å
78L86.1Confident83.8Confident25 Ų2563.4 Ų63.413%0.13132%0.324CS..EExtended strand (participates in β ladder)trans-121.5140.3-169.5-67.2169.2000111V19 E20 F23 L70 R88V19-L78 HydrophobicContact CB-CD1 4.29Å; V19-L78 HydrophobicContact CG1-CD1 3.56Å; E20-L78 HydrophobicContact CG-CD1 4.16Å; F23-L78 HydrophobicContact CB-CD2 3.64Å; F23-L78 HydrophobicContact CD1-CD2 4.03Å; F23-L78 HydrophobicContact CD2-CD1 4.47Å; F23-L78 HydrophobicContact CD2-CD2 3.73Å; F23-L78 HydrophobicContact CE2-CD2 4.38Å; F23-L78 HydrophobicContact CG-CD2 3.54Å; L70-L78 HydrophobicContact CD2-CD1 3.52Å; L78-R88 CarbonylContact C-O 3.58Å; L78-R88 VanDerWaalsContact CA-O 3.3Å; L78-R88 WeakPolarHBondContact CA-O 3.47Å; L78-R88 WeakPolarHBondContact CD2-O 3.39Å
79E86.6Confident83.8Confident53 Ų5363.3 Ų63.325%0.24832%0.319CS..EExtended strand (participates in β ladder)trans-107.2145.2170.7-76.9170.7-162.300110W44 I87 R88 S90 P91W44-E79 HydrophobicContact CH2-CB 4.43Å; E79-I87 CarbonylContact O-C 3.58Å; E79-I87 VanDerWaalsContact O-CA 3.31Å; E79-I87 WeakPolarHBondContact O-CA 3.34Å; E79-R88 HydrophobicContact CB-CG 3.91Å; E79-R88 PolarHBondContact N-O 2.95Å; E79-R88 PolarHBondContact O-N 3.5Å; E79-R88 IonicContact OE2-CZ 2.65Å; E79-R88 VanDerWaalsContact OE2-CZ 3.24Å; E79-R88 IonicContact OE2-NE 2.76Å; E79-R88 PolarHBondContact OE2-NE 3.48Å; E79-R88 IonicContact OE2-NH2 3.24Å; E79-R88 PolarHBondContact OE2-NH2 2.74Å; E79-S90 WeakPolarHBondContact OE1-CB 3.42Å; E79-S90 PolarHBondContact OE1-OG 2.85Å; E79-P91 WeakPolarHBondContact OE1-CD 3.24Å
80I87.4Confident83.6Confident42 Ų4263.7 Ų63.722%0.21532%0.322CS..EExtended strand (participates in β ladder)trans-111.6134.9178.1-52174.5000107.1V67 L70 Q71 K84 I87V67-I80 HydrophobicContact CG1-CD1 4.16Å; V67-I80 HydrophobicContact CG1-CG2 4.33Å; V67-I80 HydrophobicContact CG2-CG2 4.45Å; L70-I80 HydrophobicContact CB-CD1 3.65Å; L70-I80 HydrophobicContact CB-CG1 4.27Å; Q71-I80 HydrophobicContact CG-CD1 3.56Å; I80-K84 HydrophobicContact CG2-CB 4.49Å; I80-K84 HydrophobicContact CG2-CG 4.45Å; I80-I87 HydrophobicContact CG1-CG2 4.36Å
81S88.1Confident83.3Confident23 Ų2366.7 Ų66.716%0.16134%0.342CS..  trans-62152.9176174.90000111W44 D83 K84 K86W44-S81 VanDerWaalsContact CZ3-N 3.28Å; S81-D83 PolarHBondContact O-N 2.91Å; S81-K84 WeakPolarHBondContact O-CA 3.41Å; S81-K84 PolarHBondContact O-N 3.11Å; S81-K86 WeakPolarHBondContact CB-O 3.36Å; S81-K86 PolarHBondContact N-O 2.83Å
82E83.9Confident82.9Confident190 Ų19067.8 Ų67.889%0.88835%0.351SS*.THydrogen-bonded Turntrans-55-37.8176.8-62.6-175.6176.100111.9K84E82-K84 PolarHBondContact O-N 2.91Å
83D85.3Confident82.6Confident127 Ų12768.9 Ų68.968%0.67936%0.356SS*.THydrogen-bonded Turntrans-75.5-6177.7-61.9-22.2000113.1S81 T85S81-D83 PolarHBondContact O-N 2.91Å; D83-T85 HydrophobicContact CB-CG2 4.22Å; D83-T85 WeakPolarHBondContact O-CG2 3.18Å; D83-T85 PolarHBondContact O-N 2.88Å; D83-T85 VanDerWaalsContact O-N 3.12Å
84K86.1Confident82.6Confident112 Ų11272.2 Ų72.249%0.48738%0.377SS..SBendtrans57.121.6-176.9-58.4174.1179.7-179.80114.4L47 V67 I80 S81 E82L47-K84 WeakPolarHBondContact CD1-O 3.47Å; V67-K84 HydrophobicContact CG1-CB 4.25Å; V67-K84 HydrophobicContact CG1-CD 4.1Å; V67-K84 HydrophobicContact CG1-CG 4.17Å; V67-K84 HydrophobicContact CG2-CB 4.21Å; I80-K84 HydrophobicContact CG2-CB 4.49Å; I80-K84 HydrophobicContact CG2-CG 4.45Å; S81-K84 WeakPolarHBondContact O-CA 3.41Å; S81-K84 PolarHBondContact O-N 3.11Å; E82-K84 PolarHBondContact O-N 2.91Å
85T86.7Confident83Confident66 Ų6665.8 Ų65.841%0.40535%0.352SS..SBendtrans-99-21.8-179.455.50000113.4L47 D83L47-T85 WeakPolarHBondContact CB-O 3.33Å; L47-T85 WeakPolarHBondContact CG-O 3.34Å; L47-T85 PolarHBondContact N-O 3.03Å; D83-T85 HydrophobicContact CB-CG2 4.22Å; D83-T85 WeakPolarHBondContact O-CG2 3.18Å; D83-T85 PolarHBondContact O-N 2.88Å; D83-T85 VanDerWaalsContact O-N 3.12Å
86K89.4Confident83.4Confident57 Ų5765.7 Ų65.725%0.24835%0.351CS..EExtended strand (participates in β ladder)trans-129.7152.1-175.8-54.9-179.3-171.7177.10111.3D41 W44 V45 M46 S81D41-K86 IonicContact OD2-NZ 2.74Å; D41-K86 PolarHBondContact OD2-NZ 2.84Å; W44-K86 HydrophobicContact CB-CB 4.19Å; W44-K86 HydrophobicContact CB-CD 3.92Å; W44-K86 HydrophobicContact CD2-CB 4.36Å; W44-K86 HydrophobicContact CE3-CB 3.78Å; W44-K86 HydrophobicContact CG-CD 4.46Å; V45-K86 CarbonylContact O-C 3.59Å; V45-K86 VanDerWaalsContact O-CA 3.32Å; V45-K86 WeakPolarHBondContact O-CA 3.43Å; M46-K86 HydrophobicContact CG-CG 4.14Å; S81-K86 WeakPolarHBondContact CB-O 3.36Å; S81-K86 PolarHBondContact N-O 2.83Å
87I90.6Very high83.5Confident0 Ų070.4 Ų70.40%036%0.36CS..EExtended strand (participates in β ladder)trans-128.9148.6174.662.1171.5000110.1V19 F23 V45 L47 M50 L70 E79 I80V19-I87 HydrophobicContact CG1-CD1 3.6Å; F23-I87 HydrophobicContact CE2-CD1 3.71Å; F23-I87 HydrophobicContact CE2-CG1 4.28Å; F23-I87 HydrophobicContact CZ-CD1 4.07Å; F23-I87 HydrophobicContact CZ-CG1 4.12Å; V45-I87 PolarHBondContact N-O 2.79Å; V45-I87 PolarHBondContact O-N 3.36Å; L47-I87 HydrophobicContact CD2-CD1 4.18Å; L47-I87 HydrophobicContact CD2-CG1 4.26Å; L47-I87 HydrophobicContact CD2-CG2 3.68Å; L47-I87 HydrophobicContact CG-CG2 4.3Å; M50-I87 HydrophobicContact CE-CD1 4.42Å; M50-I87 HydrophobicContact CG-CD1 3.86Å; M50-I87 HydrophobicContact CG-CG1 4.25Å; M50-I87 HydrophobicContact SD-CD1 4.37Å; L70-I87 HydrophobicContact CD1-CD1 4.21Å; L70-I87 HydrophobicContact CD1-CG2 3.76Å; E79-I87 CarbonylContact O-C 3.58Å; E79-I87 VanDerWaalsContact O-CA 3.31Å; E79-I87 WeakPolarHBondContact O-CA 3.34Å; I80-I87 HydrophobicContact CG1-CG2 4.36Å
88R88.8Confident83.2Confident61 Ų6174.4 Ų74.423%0.2338%0.378CS..EExtended strand (participates in β ladder)trans-139.9160.417370.5175.1-178.2-173.12.4111.1G43 W44 L78 E79G43-R88 WeakPolarHBondContact O-CA 3.35Å; G43-R88 WeakPolarHBondContact O-CB 3.45Å; W44-R88 HydrophobicContact CD2-CB 4.05Å; W44-R88 HydrophobicContact CD2-CG 4.07Å; W44-R88 HydrophobicContact CE3-CB 3.76Å; W44-R88 HydrophobicContact CE3-CG 3.81Å; W44-R88 HydrophobicContact CH2-CG 3.83Å; W44-R88 HydrophobicContact CZ2-CG 4.09Å; W44-R88 HydrophobicContact CZ3-CB 4.09Å; W44-R88 HydrophobicContact CZ3-CG 3.68Å; L78-R88 CarbonylContact C-O 3.58Å; L78-R88 VanDerWaalsContact CA-O 3.3Å; L78-R88 WeakPolarHBondContact CA-O 3.47Å; L78-R88 WeakPolarHBondContact CD2-O 3.39Å; E79-R88 HydrophobicContact CB-CG 3.91Å; E79-R88 PolarHBondContact N-O 2.95Å; E79-R88 PolarHBondContact O-N 3.5Å; E79-R88 IonicContact OE2-CZ 2.65Å; E79-R88 VanDerWaalsContact OE2-CZ 3.24Å; E79-R88 IonicContact OE2-NE 2.76Å; E79-R88 PolarHBondContact OE2-NE 3.48Å; E79-R88 IonicContact OE2-NH2 3.24Å; E79-R88 PolarHBondContact OE2-NH2 2.74Å
89R88.4Confident82.8Confident28 Ų2876.7 Ų76.711%0.10639%0.391CS..EExtended strand (participates in β ladder)trans-69.4132.9164.5-175.2173.5170.5144.1-4.7109.1F23 D25 L77 K93 P94F23-R89 HydrophobicContact CD1-CB 4.17Å; F23-R89 PolarHBondContact O-NH1 3.48Å; D25-R89 IonicContact OD1-CZ 2.83Å; D25-R89 IonicContact OD1-NH1 2.66Å; D25-R89 PolarHBondContact OD1-NH1 3.32Å; D25-R89 IonicContact OD1-NH2 3.14Å; D25-R89 PolarHBondContact OD1-NH2 2.84Å; L77-R89 HydrophobicContact CD1-CG 4.38Å; R89-K93 PolarHBondContact NE-O 2.9Å; R89-K93 PolarHBondContact NH2-O 3.48Å; R89-P94 PolarHBondContact NH2-O 2.81Å
90S83.3Confident82.3Confident9 Ų979.3 Ų79.36%0.06341%0.406CS..  trans-60.8130.6179.8-179.20000109.9L77 E79 D92 K93L77-S90 PolarHBondContact O-N 3.45Å; E79-S90 WeakPolarHBondContact OE1-CB 3.42Å; E79-S90 PolarHBondContact OE1-OG 2.85Å; S90-D92 PolarHBondContact O-N 3.23Å; S90-D92 PolarHBondContact OG-N 3.4Å; S90-K93 PolarHBondContact O-N 2.94Å; S90-K93 VanDerWaalsContact O-N 3.09Å
91P78.9Confident81.9Confident79 Ų7985.1 Ų85.151%0.51343%0.432SS..THydrogen-bonded Turntrans-61.8-21.5177.425.5-33.6000112.7E79 K93E79-P91 WeakPolarHBondContact OE1-CD 3.24Å; P91-K93 PolarHBondContact O-N 3.33Å
92D76.9Confident81.6Confident138 Ų13886.8 Ų86.874%0.73844%0.436SS*.THydrogen-bonded Turntrans-70.2-16.8176.8-64.7-28.4000113S90 P94S90-D92 PolarHBondContact O-N 3.23Å; S90-D92 PolarHBondContact OG-N 3.4Å; D92-P94 VanDerWaalsContact C-CD 3.47Å; D92-P94 WeakPolarHBondContact O-CD 3.44Å
93K77.2Confident81.3Confident95 Ų9582.2 Ų82.241%0.41341%0.413SS..SBendtrans-12071.9175.4-66.8-172.8-178.3-172.30109.9S75 L77 R89 S90 P91S75-K93 PolarHBondContact O-NZ 3.22Å; L77-K93 HydrophobicContact CD1-CB 4.23Å; L77-K93 HydrophobicContact CD1-CD 4.1Å; R89-K93 PolarHBondContact NE-O 2.9Å; R89-K93 PolarHBondContact NH2-O 3.48Å; S90-K93 PolarHBondContact O-N 2.94Å; S90-K93 VanDerWaalsContact O-N 3.09Å; P91-K93 PolarHBondContact O-N 3.33Å
94P78.8Confident81Confident96 Ų9679.2 Ų79.262%0.62340%0.397SS*.PPolyproline II helixtrans-60.2159.9177.627.9-34.9000110.9R89 D92R89-P94 PolarHBondContact NH2-O 2.81Å; D92-P94 VanDerWaalsContact C-CD 3.47Å; D92-P94 WeakPolarHBondContact O-CD 3.44Å
95L79Confident80.8Confident70 Ų7076.3 Ų76.337%0.36639%0.394SS..PPolyproline II helixtrans-60.9135.9170.5-79.6167.6000109.3L28 P29 E97L28-L95 HydrophobicContact CB-CD2 4.17Å; L28-L95 HydrophobicContact CD2-CD1 3.85Å; L28-L95 HydrophobicContact CD2-CD2 4.14Å; L28-L95 HydrophobicContact CD2-CG 4.15Å; L28-L95 HydrophobicContact CG-CD1 4.14Å; P29-L95 HydrophobicContact CG-CD1 4.38Å; P29-L95 HydrophobicContact CG-CD2 3.93Å; L95-E97 PolarHBondContact O-N 3.39Å
96P76.7Confident80.5Confident37 Ų3773.9 Ų73.924%0.2438%0.379CS..PPolyproline II helixtrans-59140.6171.923.4-31.1000109.7D25 Q98 Y102D25-P96 HydrophobicContact CB-CG 3.88Å; D25-P96 WeakPolarHBondContact OD1-CD 3.47Å; D25-P96 WeakPolarHBondContact OD2-CD 3.46Å; D25-P96 WeakPolarHBondContact OD2-CG 3.27Å; P96-Q98 PolarHBondContact O-N 2.86Å; P96-Y102 HydrophobicContact CB-CD2 3.87Å; P96-Y102 HydrophobicContact CB-CE2 3.6Å; P96-Y102 HydrophobicContact CB-CG 4.47Å; P96-Y102 HydrophobicContact CG-CD2 4.27Å; P96-Y102 HydrophobicContact CG-CE1 4.11Å; P96-Y102 HydrophobicContact CG-CE2 3.55Å; P96-Y102 VanDerWaalsContact CG-CZ 3.45Å
97E74.8Confident80.1Confident145 Ų14574.8 Ų74.868%0.67838%0.383SS*.PPolyproline II helixtrans-62.8129.7177.7-159.5179.5-162.600109.2L95 N99L95-E97 PolarHBondContact O-N 3.39Å; E97-N99 WeakPolarHBondContact CG-OD1 3.44Å; E97-N99 PolarHBondContact O-N 3.37Å; E97-N99 PolarHBondContact OE2-ND2 3.19Å
98Q74Confident79.6Confident109 Ų10978.6 Ų78.651%0.50940%0.401SS..  trans-77.249.9-176.4-65.5-159-33.300112.8P96 K103P96-Q98 PolarHBondContact O-N 2.86Å; Q98-K103 WeakPolarHBondContact O-CE 3.35Å
99N77.3Confident79.5Confident73 Ų7377.4 Ų77.439%0.3940%0.396SS..  trans-73.4160.2175.6-64.7-14.3000110.2E97 E101 Y102 K103E97-N99 WeakPolarHBondContact CG-OD1 3.44Å; E97-N99 PolarHBondContact O-N 3.37Å; E97-N99 PolarHBondContact OE2-ND2 3.19Å; N99-E101 PolarHBondContact O-N 3.17Å; N99-Y102 PolarHBondContact O-N 3.26Å; N99-Y102 VanDerWaalsContact O-N 3.08Å; N99-K103 PolarHBondContact O-N 2.65Å; N99-K103 VanDerWaalsContact O-N 3.11Å
100D77.6Confident79.4Confident108 Ų10876.2 Ų76.258%0.57839%0.392SS*.Hα-helixtrans-62.4-32.2-179.1-65.3-31.8000111.7Y102 K103 D104D100-Y102 PolarHBondContact O-N 3.43Å; D100-K103 WeakPolarHBondContact O-CB 3.32Å; D100-K103 PolarHBondContact O-N 3.4Å; D100-K103 IonicContact OD1-NZ 2.85Å; D100-K103 PolarHBondContact OD1-NZ 3.3Å; D100-D104 WeakPolarHBondContact O-CB 3.47Å; D100-D104 VanDerWaalsContact O-CG 3.24Å; D100-D104 PolarHBondContact O-N 3.08Å
101E78.8Confident79.7Confident164 Ų16475.9 Ų75.977%0.76639%0.389SS*.Hα-helixtrans-60.4-42.1172.1-64.3179.9176.800113N99 D104 A105N99-E101 PolarHBondContact O-N 3.17Å; E101-D104 PolarHBondContact O-N 3.13Å; E101-A105 WeakPolarHBondContact O-CB 3.46Å; E101-A105 PolarHBondContact O-N 3.18Å
102Y80.3Confident80.2Confident58 Ų5872.6 Ų72.623%0.22737%0.367CS..Hα-helixtrans-67.1-40.8176.7-179.9-97.7000110.8D25 P96 N99 D100 D104 A105 V106D25-Y102 WeakPolarHBondContact CB-OH 3.27Å; P96-Y102 HydrophobicContact CB-CD2 3.87Å; P96-Y102 HydrophobicContact CB-CE2 3.6Å; P96-Y102 HydrophobicContact CB-CG 4.47Å; P96-Y102 HydrophobicContact CG-CD2 4.27Å; P96-Y102 HydrophobicContact CG-CE1 4.11Å; P96-Y102 HydrophobicContact CG-CE2 3.55Å; P96-Y102 VanDerWaalsContact CG-CZ 3.45Å; N99-Y102 PolarHBondContact O-N 3.26Å; N99-Y102 VanDerWaalsContact O-N 3.08Å; D100-Y102 PolarHBondContact O-N 3.43Å; Y102-D104 VanDerWaalsContact C-N 3.3Å; Y102-D104 PolarHBondContact O-N 2.97Å; Y102-A105 PolarHBondContact O-N 3.4Å; Y102-V106 HydrophobicContact CD1-CG2 4.18Å; Y102-V106 HydrophobicContact CE1-CG2 3.77Å; Y102-V106 HydrophobicContact CE2-CG2 4.39Å; Y102-V106 WeakPolarHBondContact O-CB 3.27Å; Y102-V106 VanDerWaalsContact O-CG2 3.24Å; Y102-V106 WeakPolarHBondContact O-CG2 3.36Å; Y102-V106 PolarHBondContact O-N 3.47Å
103K77.7Confident80.8Confident94 Ų9466 Ų6641%0.40933%0.332SS..Hα-helixtrans-61.7-41.4174.8-64.4175.2-163.51540110.9Q98 N99 D100 V106 K107Q98-K103 WeakPolarHBondContact O-CE 3.35Å; N99-K103 PolarHBondContact O-N 2.65Å; N99-K103 VanDerWaalsContact O-N 3.11Å; D100-K103 WeakPolarHBondContact O-CB 3.32Å; D100-K103 PolarHBondContact O-N 3.4Å; D100-K103 IonicContact OD1-NZ 2.85Å; D100-K103 PolarHBondContact OD1-NZ 3.3Å; K103-V106 PolarHBondContact O-N 3.44Å; K103-K107 VanDerWaalsContact O-CG 3.27Å; K103-K107 WeakPolarHBondContact O-CG 3.25Å; K103-K107 PolarHBondContact O-N 2.86Å
104D79.8Confident81.3Confident65 Ų6566.8 Ų66.835%0.34834%0.335SS..Hα-helixtrans-70.6-42.9-179.8-69.7-17.1000111.6D100 E101 Y102 V106 K107 H108D100-D104 WeakPolarHBondContact O-CB 3.47Å; D100-D104 VanDerWaalsContact O-CG 3.24Å; D100-D104 PolarHBondContact O-N 3.08Å; E101-D104 PolarHBondContact O-N 3.13Å; Y102-D104 VanDerWaalsContact C-N 3.3Å; Y102-D104 PolarHBondContact O-N 2.97Å; D104-V106 VanDerWaalsContact C-N 3.29Å; D104-V106 PolarHBondContact O-N 2.95Å; D104-K107 WeakPolarHBondContact O-CA 3.38Å; D104-K107 WeakPolarHBondContact O-CB 3.45Å; D104-K107 PolarHBondContact O-N 2.97Å; D104-K107 IonicContact OD1-NZ 2.66Å; D104-K107 PolarHBondContact OD1-NZ 2.95Å; D104-H108 PolarHBondContact O-CD2 3.39Å; D104-H108 PolarHBondContact O-N 3.34Å
105A81.4Confident81.6Confident51 Ų5163.1 Ų63.142%0.42132%0.315SS..Hα-helixtrans-56.8-43.5171.200000111.8E101 Y102 K107 H108 R109E101-A105 WeakPolarHBondContact O-CB 3.46Å; E101-A105 PolarHBondContact O-N 3.18Å; Y102-A105 PolarHBondContact O-N 3.4Å; A105-K107 VanDerWaalsContact C-N 3.34Å; A105-K107 PolarHBondContact O-N 3.31Å; A105-H108 PolarHBondContact O-N 3.16Å; A105-R109 WeakPolarHBondContact O-CD 3.28Å; A105-R109 VanDerWaalsContact O-CG 3.28Å; A105-R109 WeakPolarHBondContact O-CG 3.31Å; A105-R109 PolarHBondContact O-N 2.92Å; A105-R109 VanDerWaalsContact O-N 3.09Å
106V81.4Confident82Confident15 Ų1560.1 Ų60.19%0.09130%0.299CS..Hα-helixtrans-62.5-38.9173.5172.10000111.7Y102 K103 D104 S110Y102-V106 HydrophobicContact CD1-CG2 4.18Å; Y102-V106 HydrophobicContact CE1-CG2 3.77Å; Y102-V106 HydrophobicContact CE2-CG2 4.39Å; Y102-V106 WeakPolarHBondContact O-CB 3.27Å; Y102-V106 VanDerWaalsContact O-CG2 3.24Å; Y102-V106 WeakPolarHBondContact O-CG2 3.36Å; Y102-V106 PolarHBondContact O-N 3.47Å; K103-V106 PolarHBondContact O-N 3.44Å; D104-V106 VanDerWaalsContact C-N 3.29Å; D104-V106 PolarHBondContact O-N 2.95Å; V106-S110 VanDerWaalsContact O-CB 3.25Å; V106-S110 WeakPolarHBondContact O-CB 3.4Å; V106-S110 PolarHBondContact O-N 2.97Å; V106-S110 VanDerWaalsContact O-N 3.14Å; V106-S110 PolarHBondContact O-OG 3.27Å
107K80.1Confident82.4Confident75 Ų7560.1 Ų60.133%0.32630%0.299SS..Hα-helixtrans-64.7-42.7176-71.5168-162.2162.20111.6K103 D104 A105 S110K103-K107 VanDerWaalsContact O-CG 3.27Å; K103-K107 WeakPolarHBondContact O-CG 3.25Å; K103-K107 PolarHBondContact O-N 2.86Å; D104-K107 WeakPolarHBondContact O-CA 3.38Å; D104-K107 WeakPolarHBondContact O-CB 3.45Å; D104-K107 PolarHBondContact O-N 2.97Å; D104-K107 IonicContact OD1-NZ 2.66Å; D104-K107 PolarHBondContact OD1-NZ 2.95Å; A105-K107 VanDerWaalsContact C-N 3.34Å; A105-K107 PolarHBondContact O-N 3.31Å; K107-S110 WeakPolarHBondContact O-CB 3.47Å; K107-S110 PolarHBondContact O-N 2.86Å; K107-S110 VanDerWaalsContact O-N 3.16Å
108H80.9Confident82.9Confident81 Ų8159.3 Ų59.338%0.37530%0.299SS..Hα-helixtrans-68.4-34.7-179.4-67.4-59.8000113.1D104 A105 S110 E185D104-H108 PolarHBondContact O-CD2 3.39Å; D104-H108 PolarHBondContact O-N 3.34Å; A105-H108 PolarHBondContact O-N 3.16Å; H108-S110 VanDerWaalsContact C-N 3.29Å; H108-E185 IonicContact CE1-OE1 3.78Å; H108-E185 PolarHBondContact CE1-OE1 2.82Å; H108-E185 IonicContact CE1-OE2 2.81Å; H108-E185 PolarHBondContact CE1-OE2 3.17Å; H108-E185 IonicContact ND1-OE1 2.69Å; H108-E185 PolarHBondContact ND1-OE1 3.41Å; H108-E185 IonicContact ND1-OE2 3.39Å; H108-E185 PolarHBondContact ND1-OE2 3.44Å; H108-E185 IonicContact NE2-OE1 2.79Å
109R86.1Confident83.4Confident35 Ų3562.8 Ų62.813%0.13232%0.315CS..THydrogen-bonded Turntrans-85.74.117373.9-160.7-174.3131.43.9114.2H26 A105 E136 F156 E157H26-R109 PolarHBondContact NE2-NH2 3.43Å; A105-R109 WeakPolarHBondContact O-CD 3.28Å; A105-R109 VanDerWaalsContact O-CG 3.28Å; A105-R109 WeakPolarHBondContact O-CG 3.31Å; A105-R109 PolarHBondContact O-N 2.92Å; A105-R109 VanDerWaalsContact O-N 3.09Å; R109-E136 IonicContact CZ-OE2 2.91Å; R109-E136 IonicContact NH1-OE2 2.99Å; R109-E136 PolarHBondContact NH1-OE2 2.86Å; R109-E136 IonicContact NH2-OE1 3.11Å; R109-E136 PolarHBondContact NH2-OE1 3.11Å; R109-E136 IonicContact NH2-OE2 2.88Å; R109-E136 PolarHBondContact NH2-OE2 3.47Å; R109-F156 WeakPolarHBondContact CD-O 3.44Å; R109-F156 WeakPolarHBondContact CG-O 3.25Å; R109-F156 PolarHBondContact O-N 3.02Å; R109-E157 PolarHBondContact NH1-O 3.02Å
110S86.8Confident83.8Confident4 Ų459.7 Ų59.73%0.02830%0.299CS..EExtended strand (participates in β ladder)trans-98.4133.7177.9-70.10000112.4V106 K107 H108 V154 R184V106-S110 VanDerWaalsContact O-CB 3.25Å; V106-S110 WeakPolarHBondContact O-CB 3.4Å; V106-S110 PolarHBondContact O-N 2.97Å; V106-S110 VanDerWaalsContact O-N 3.14Å; V106-S110 PolarHBondContact O-OG 3.27Å; K107-S110 WeakPolarHBondContact O-CB 3.47Å; K107-S110 PolarHBondContact O-N 2.86Å; K107-S110 VanDerWaalsContact O-N 3.16Å; H108-S110 VanDerWaalsContact C-N 3.29Å; S110-V154 CarbonylContact C-O 3.54Å; S110-V154 VanDerWaalsContact CA-O 3.27Å; S110-V154 WeakPolarHBondContact CA-O 3.49Å; S110-R184 VanDerWaalsContact O-CB 3.29Å; S110-R184 WeakPolarHBondContact O-CB 3.37Å; S110-R184 PolarHBondContact O-N 3.48Å; S110-R184 VanDerWaalsContact O-N 3.08Å; S110-R184 PolarHBondContact OG-NH1 3.4Å
111V89.3Confident84.1Confident1 Ų157.9 Ų57.91%0.00629%0.292CS..EExtended strand (participates in β ladder)trans-115.5140.6175.5179.60000110I113 F153 V154 F156 A162 F165 L166 V181 L182V111-I113 HydrophobicContact CG1-CG1 4.13Å; V111-F153 WeakPolarHBondContact O-CA 3.27Å; V111-V154 PolarHBondContact N-O 2.98Å; V111-V154 PolarHBondContact O-N 3.13Å; V111-F156 HydrophobicContact CB-CE2 4.08Å; V111-F156 HydrophobicContact CG2-CD2 4.05Å; V111-F156 HydrophobicContact CG2-CE2 3.76Å; V111-A162 HydrophobicContact CG2-CB 3.95Å; V111-F165 HydrophobicContact CG1-CD1 4.01Å; V111-F165 HydrophobicContact CG1-CE1 4.15Å; V111-L166 HydrophobicContact CG1-CD2 4.03Å; V111-L166 HydrophobicContact CG2-CD2 4.5Å; V111-L166 HydrophobicContact CG2-CG 4.38Å; V111-V181 HydrophobicContact CG1-CG1 3.41Å; V111-V181 VanDerWaalsContact CG1-CG1 3.41Å; V111-L182 WeakPolarHBondContact CG1-O 3.37Å
112Y89.8Confident84.4Confident11 Ų1152.1 Ų52.14%0.04327%0.266CS..EExtended strand (participates in β ladder)trans-98129.6171.1174.9-99000110K114 S151 F153 L180 V181 L182 Y187Y112-K114 HydrophobicContact CE1-CB 3.64Å; Y112-S151 WeakPolarHBondContact OH-CB 3.5Å; Y112-F153 AromaticContact CD2-CD1 3.94Å; Y112-F153 HydrophobicContact CD2-CD1 3.94Å; Y112-F153 AromaticContact CD2-CE1 3.49Å; Y112-F153 HydrophobicContact CD2-CE1 3.49Å; Y112-F153 VanDerWaalsContact CD2-CE1 3.49Å; Y112-F153 AromaticContact CD2-CZ 3.82Å; Y112-F153 HydrophobicContact CD2-CZ 3.82Å; Y112-F153 HydrophobicContact CE2-CE1 4.48Å; Y112-F153 HydrophobicContact CE2-CZ 4.42Å; Y112-F153 HydrophobicContact CG-CE1 4.11Å; Y112-L180 HydrophobicContact CD1-CD2 4.17Å; Y112-L180 HydrophobicContact CE1-CD2 3.88Å; Y112-V181 CarbonylContact O-C 3.53Å; Y112-V181 WeakPolarHBondContact O-CA 3.01Å; Y112-L182 HydrophobicContact CD1-CB 4.36Å; Y112-L182 PolarHBondContact N-O 2.99Å; Y112-L182 PolarHBondContact O-N 3.14Å; Y112-Y187 AromaticContact CD1-CD2 3.71Å; Y112-Y187 HydrophobicContact CD1-CD2 3.71Å; Y112-Y187 HydrophobicContact CD1-CE2 4.35Å; Y112-Y187 HydrophobicContact CD1-CG 4.28Å; Y112-Y187 HydrophobicContact CD2-CD1 4.47Å; Y112-Y187 AromaticContact CD2-CD2 3.87Å; Y112-Y187 HydrophobicContact CD2-CD2 3.87Å; Y112-Y187 HydrophobicContact CD2-CE2 4.07Å; Y112-Y187 HydrophobicContact CD2-CG 4.09Å; Y112-Y187 AromaticContact CE1-CD2 3.69Å; Y112-Y187 HydrophobicContact CE1-CD2 3.69Å; Y112-Y187 AromaticContact CE1-CE2 3.93Å; Y112-Y187 HydrophobicContact CE1-CE2 3.93Å; Y112-Y187 AromaticContact CE2-CD2 3.85Å; Y112-Y187 HydrophobicContact CE2-CD2 3.85Å; Y112-Y187 AromaticContact CE2-CE2 3.61Å; Y112-Y187 HydrophobicContact CE2-CE2 3.61Å; Y112-Y187 HydrophobicContact CE2-CG 4.46Å; Y112-Y187 AromaticContact CG-CD2 3.77Å; Y112-Y187 HydrophobicContact CG-CD2 3.77Å; Y112-Y187 HydrophobicContact CG-CE2 4.39Å; Y112-Y187 AromaticContact CG-CG 3.96Å; Y112-Y187 HydrophobicContact CG-CG 3.96Å; Y112-Y187 AromaticContact CZ-CD2 3.75Å; Y112-Y187 AromaticContact CZ-CE2 3.52Å
113I88.4Confident84.6Confident0 Ų053.5 Ų53.50%028%0.277CS..EExtended strand (participates in β ladder)trans-126.2128.1178.1-50.7174.9000108.5V111 F116 W128 L129 S151 V152 V154 F165 M179 L180 V181V111-I113 HydrophobicContact CG1-CG1 4.13Å; I113-F116 HydrophobicContact CB-CE2 3.88Å; I113-F116 HydrophobicContact CG2-CD2 4.33Å; I113-F116 HydrophobicContact CG2-CE2 3.46Å; I113-F116 VanDerWaalsContact CG2-CE2 3.46Å; I113-F116 HydrophobicContact CG2-CZ 3.88Å; I113-W128 HydrophobicContact CD1-CZ3 4.23Å; I113-L129 HydrophobicContact CD1-CD2 4.02Å; I113-S151 CarbonylContact O-C 3.6Å; I113-S151 WeakPolarHBondContact O-CA 3.18Å; I113-S151 WeakPolarHBondContact O-CB 3.08Å; I113-V152 PolarHBondContact N-O 2.96Å; I113-V152 PolarHBondContact O-N 3.43Å; I113-V154 HydrophobicContact CD1-CG2 3.71Å; I113-V154 HydrophobicContact CG1-CG2 4.46Å; I113-F165 HydrophobicContact CD1-CE1 3.48Å; I113-F165 VanDerWaalsContact CD1-CE1 3.48Å; I113-F165 HydrophobicContact CD1-CZ 3.56Å; I113-F165 HydrophobicContact CG1-CE1 4.05Å; I113-M179 HydrophobicContact CG2-CE 3.48Å; I113-M179 VanDerWaalsContact CG2-CE 3.48Å; I113-L180 CarbonylContact C-O 3.52Å; I113-L180 WeakPolarHBondContact CA-O 3.39Å; I113-V181 HydrophobicContact CG1-CG1 4.38Å
114K88.9Confident85Confident110 Ų11052.3 Ų52.348%0.47827%0.273SS..EExtended strand (participates in β ladder)trans-127.6141.3174.1-177.7-174.9-178.4-171.50109.9Y112 G150 M179 L180Y112-K114 HydrophobicContact CE1-CB 3.64Å; K114-G150 WeakPolarHBondContact CA-O 3.34Å; K114-M179 CarbonylContact O-C 3.44Å; K114-M179 VanDerWaalsContact O-CA 3.29Å; K114-M179 WeakPolarHBondContact O-CA 3.36Å; K114-L180 HydrophobicContact CB-CB 4.35Å; K114-L180 HydrophobicContact CB-CD2 4.44Å; K114-L180 PolarHBondContact N-O 3.33Å; K114-L180 PolarHBondContact O-N 2.6Å
115G84.3Confident85.3Confident20 Ų2049.2 Ų49.221%0.20626%0.256CS..  trans132-1.817800000113.3G150 N177 M179G115-G150 PolarHBondContact N-O 3.12Å; G115-N177 WeakPolarHBondContact O-CB 3.29Å; G115-N177 PolarHBondContact O-ND2 2.95Å; G115-M179 WeakPolarHBondContact CA-SD 3.41Å
116F87.5Confident85.5Confident6 Ų649.1 Ų49.13%0.02625%0.247CC..  trans-65133.9172.1-64-76.2000110.1I113 T120 V125 W128 F148 G150 V152 F174 M179I113-F116 HydrophobicContact CB-CE2 3.88Å; I113-F116 HydrophobicContact CG2-CD2 4.33Å; I113-F116 HydrophobicContact CG2-CE2 3.46Å; I113-F116 VanDerWaalsContact CG2-CE2 3.46Å; I113-F116 HydrophobicContact CG2-CZ 3.88Å; F116-T120 HydrophobicContact CD1-CG2 4.2Å; F116-V125 HydrophobicContact CD1-CG2 4.01Å; F116-V125 HydrophobicContact CE1-CG1 4.43Å; F116-V125 HydrophobicContact CE1-CG2 3.98Å; F116-V125 HydrophobicContact CG-CG2 4.45Å; F116-V125 HydrophobicContact CZ-CG1 4.2Å; F116-V125 HydrophobicContact CZ-CG2 4.39Å; F116-W128 HydrophobicContact CE1-CE3 4.14Å; F116-W128 HydrophobicContact CE1-CZ3 4.23Å; F116-W128 HydrophobicContact CZ-CE3 4.11Å; F116-W128 AromaticContact CZ-CZ3 3.86Å; F116-W128 HydrophobicContact CZ-CZ3 3.86Å; F116-F148 HydrophobicContact CB-CE1 3.57Å; F116-F148 HydrophobicContact CB-CZ 3.71Å; F116-F148 HydrophobicContact CD2-CZ 4.29Å; F116-F148 HydrophobicContact CG-CZ 4.26Å; F116-G150 PolarHBondContact N-O 3.4Å; F116-G150 WeakPolarHBondContact O-CA 3.39Å; F116-V152 HydrophobicContact CD2-CB 4.39Å; F116-V152 HydrophobicContact CD2-CG2 3.67Å; F116-V152 HydrophobicContact CE2-CB 3.98Å; F116-V152 HydrophobicContact CE2-CG2 3.65Å; F116-F174 AromaticContact CD1-CD1 3.84Å; F116-F174 HydrophobicContact CD1-CD1 3.84Å; F116-F174 AromaticContact CD1-CE1 3.87Å; F116-F174 HydrophobicContact CD1-CE1 3.87Å; F116-F174 HydrophobicContact CD1-CG 4.35Å; F116-F174 HydrophobicContact CD1-CZ 4.42Å; F116-F174 HydrophobicContact CE1-CD1 4.29Å; F116-F174 HydrophobicContact CE1-CE1 4.4Å; F116-F174 HydrophobicContact CE1-CG 4.37Å; F116-M179 HydrophobicContact CD1-CE 3.63Å; F116-M179 HydrophobicContact CD2-CE 3.67Å; F116-M179 HydrophobicContact CE1-CE 3.47Å; F116-M179 VanDerWaalsContact CE1-CE 3.47Å; F116-M179 HydrophobicContact CE2-CE 3.52Å; F116-M179 HydrophobicContact CG-CE 3.73Å; F116-M179 HydrophobicContact CZ-CE 3.42Å; F116-M179 VanDerWaalsContact CZ-CE 3.42Å
117P85.8Confident85.6Confident37 Ų3753.9 Ų53.924%0.2427%0.269CS..  trans-49.9150.1167.5-23.928.4000112.4E119 T120 F148P117-E119 PolarHBondContact O-N 3.27Å; P117-T120 WeakPolarHBondContact CB-OG1 3.47Å; P117-T120 WeakPolarHBondContact CD-OG1 3.44Å; P117-T120 WeakPolarHBondContact O-CB 3.26Å; P117-T120 PolarHBondContact O-N 2.89Å; P117-T120 VanDerWaalsContact O-N 3.13Å; P117-T120 PolarHBondContact O-OG1 2.91Å; P117-F148 WeakPolarHBondContact O-CD1 3.4Å; P117-F148 VanDerWaalsContact O-CE1 3.29Å; P117-F148 WeakPolarHBondContact O-CE1 3.32Å
118L85.4Confident85.9Confident129 Ų12951.8 Ų51.868%0.67526%0.259SS*.THydrogen-bonded Turntrans-64.3-21.8-179.9-62.5171.6000112.8F148L118-F148 WeakPolarHBondContact CD2-O 3.43Å
119E85.1Confident86Confident182 Ų18247.9 Ų47.985%0.8524%0.241SC*.THydrogen-bonded Turntrans-89.8-5.6179.9-59.1-174.616600113.5P117 T121P117-E119 PolarHBondContact O-N 3.27Å; E119-T121 PolarHBondContact O-N 3.34Å
120T84.4Confident85.8Confident7 Ų749.6 Ų49.64%0.04325%0.253CS..  trans-64.6129-178.2-52.80000110.8F116 P117 E124 V125 M140 F174F116-T120 HydrophobicContact CD1-CG2 4.2Å; P117-T120 WeakPolarHBondContact CB-OG1 3.47Å; P117-T120 WeakPolarHBondContact CD-OG1 3.44Å; P117-T120 WeakPolarHBondContact O-CB 3.26Å; P117-T120 PolarHBondContact O-N 2.89Å; P117-T120 VanDerWaalsContact O-N 3.13Å; P117-T120 PolarHBondContact O-OG1 2.91Å; T120-E124 HydrophobicContact CG2-CB 3.98Å; T120-E124 WeakPolarHBondContact CG2-OE2 3.29Å; T120-V125 HydrophobicContact CG2-CG2 3.61Å; T120-M140 WeakPolarHBondContact O-CE 3.3Å; T120-F174 HydrophobicContact CG2-CE1 4.04Å; T120-F174 HydrophobicContact CG2-CZ 4.2Å
121T85.1Confident85.4Confident70 Ų7057 Ų5743%0.42929%0.286SS..  trans-87162178.267.80000111.2E119 D123 E124 V125E119-T121 PolarHBondContact O-N 3.34Å; T121-D123 PolarHBondContact O-N 3.5Å; T121-E124 PolarHBondContact O-N 3.33Å; T121-E124 WeakPolarHBondContact OG1-CG 3.27Å; T121-E124 PolarHBondContact OG1-N 3.04Å; T121-V125 WeakPolarHBondContact O-CG2 3.45Å; T121-V125 PolarHBondContact O-N 2.97Å; T121-V125 VanDerWaalsContact O-N 3.16Å
122L83.6Confident84.8Confident44 Ų4458.1 Ų58.123%0.2329%0.291CS..Hα-helixtrans-60.5-35.9176.4-168156.5000111.4V125 Q126 M140L122-V125 PolarHBondContact O-N 3.44Å; L122-Q126 HydrophobicContact CD2-CB 4.18Å; L122-Q126 VanDerWaalsContact O-CB 3.26Å; L122-Q126 WeakPolarHBondContact O-CB 3.44Å; L122-Q126 PolarHBondContact O-N 2.66Å; L122-M140 HydrophobicContact CB-SD 3.59Å; L122-M140 VanDerWaalsContact CB-SD 3.59Å; L122-M140 HydrophobicContact CD1-SD 4.17Å; L122-M140 HydrophobicContact CG-SD 3.98Å
123D84.3Confident84.1Confident86 Ų8658.8 Ų58.846%0.4630%0.301SS..Hα-helixtrans-66.9-42.4-177.5-57.8-26.1000110.8R55 T121 V125 Q126 E127R55-D123 IonicContact NH2-OD1 3.19Å; R55-D123 PolarHBondContact NH2-OD1 3.34Å; T121-D123 PolarHBondContact O-N 3.5Å; D123-V125 PolarHBondContact O-N 3.37Å; D123-Q126 PolarHBondContact O-N 3.44Å; D123-E127 WeakPolarHBondContact O-CG 3.39Å; D123-E127 PolarHBondContact O-N 3.09Å
124E86.2Confident83.6Confident69 Ų6962.2 Ų62.232%0.32233%0.326SS..Hα-helixtrans-61.5-44172.8-70.5-172.8159.300112.1T120 T121 Q126 E127 W128 K175T120-E124 HydrophobicContact CG2-CB 3.98Å; T120-E124 WeakPolarHBondContact CG2-OE2 3.29Å; T121-E124 PolarHBondContact O-N 3.33Å; T121-E124 WeakPolarHBondContact OG1-CG 3.27Å; T121-E124 PolarHBondContact OG1-N 3.04Å; E124-Q126 VanDerWaalsContact C-N 3.3Å; E124-Q126 PolarHBondContact O-N 2.94Å; E124-E127 PolarHBondContact O-N 3.31Å; E124-W128 WeakPolarHBondContact O-CB 3.3Å; E124-W128 PolarHBondContact O-N 2.94Å; E124-W128 VanDerWaalsContact O-N 3.09Å; E124-K175 IonicContact OE1-NZ 2.81Å; E124-K175 PolarHBondContact OE1-NZ 2.89Å; E124-K175 IonicContact OE2-NZ 2.55Å; E124-K175 PolarHBondContact OE2-NZ 3.16Å
125V86.6Confident83.4Confident0 Ų058.7 Ų58.70%031%0.311CS..Hα-helixtrans-61.7-43.3176.5174.10000110F116 T120 T121 L122 D123 L129 I138 V152F116-V125 HydrophobicContact CD1-CG2 4.01Å; F116-V125 HydrophobicContact CE1-CG1 4.43Å; F116-V125 HydrophobicContact CE1-CG2 3.98Å; F116-V125 HydrophobicContact CG-CG2 4.45Å; F116-V125 HydrophobicContact CZ-CG1 4.2Å; F116-V125 HydrophobicContact CZ-CG2 4.39Å; T120-V125 HydrophobicContact CG2-CG2 3.61Å; T121-V125 WeakPolarHBondContact O-CG2 3.45Å; T121-V125 PolarHBondContact O-N 2.97Å; T121-V125 VanDerWaalsContact O-N 3.16Å; L122-V125 PolarHBondContact O-N 3.44Å; D123-V125 PolarHBondContact O-N 3.37Å; V125-L129 HydrophobicContact CG1-CD1 3.59Å; V125-L129 HydrophobicContact CG1-CG 4.17Å; V125-L129 WeakPolarHBondContact O-CB 3.39Å; V125-L129 WeakPolarHBondContact O-CG 3.29Å; V125-L129 PolarHBondContact O-N 3.13Å; V125-I138 HydrophobicContact CG1-CG2 4.08Å; V125-V152 HydrophobicContact CG1-CG1 4.37Å; V125-V152 HydrophobicContact CG1-CG2 4.38Å
126Q84.7Confident83.3Confident50 Ų5060.8 Ų60.823%0.23432%0.316CS..Hα-helixtrans-67.1-40.7-178.7-177.7175.6-1300112.2L122 D123 E124 L129 N130 I138L122-Q126 HydrophobicContact CD2-CB 4.18Å; L122-Q126 VanDerWaalsContact O-CB 3.26Å; L122-Q126 WeakPolarHBondContact O-CB 3.44Å; L122-Q126 PolarHBondContact O-N 2.66Å; D123-Q126 PolarHBondContact O-N 3.44Å; E124-Q126 VanDerWaalsContact C-N 3.3Å; E124-Q126 PolarHBondContact O-N 2.94Å; Q126-L129 PolarHBondContact O-N 3.22Å; Q126-N130 VanDerWaalsContact O-CB 3.3Å; Q126-N130 WeakPolarHBondContact O-CB 3.44Å; Q126-N130 PolarHBondContact O-N 2.8Å; Q126-N130 PolarHBondContact O-ND2 3.38Å; Q126-N130 VanDerWaalsContact O-ND2 3.12Å; Q126-I138 HydrophobicContact CB-CD1 4.02Å; Q126-I138 HydrophobicContact CG-CD1 4.15Å
127E85.1Confident83.1Confident115 Ų11561 Ų6154%0.53732%0.318SS..Hα-helixtrans-62.6-50.9175.5-75.1175.3-178.800111.2D123 E124 L129 N130 E131D123-E127 WeakPolarHBondContact O-CG 3.39Å; D123-E127 PolarHBondContact O-N 3.09Å; E124-E127 PolarHBondContact O-N 3.31Å; E127-L129 VanDerWaalsContact C-N 3.26Å; E127-L129 PolarHBondContact O-N 3.23Å; E127-N130 PolarHBondContact O-N 3.1Å; E127-E131 PolarHBondContact O-N 3.4Å
128W84.9Confident83.2Confident30 Ų3060.3 Ų60.311%0.11431%0.312CS..Hα-helixtrans-60.6-36.4177.7-178.276.7000113I113 F116 E124 K132 F165 V171 F174 M179I113-W128 HydrophobicContact CD1-CZ3 4.23Å; F116-W128 HydrophobicContact CE1-CE3 4.14Å; F116-W128 HydrophobicContact CE1-CZ3 4.23Å; F116-W128 HydrophobicContact CZ-CE3 4.11Å; F116-W128 AromaticContact CZ-CZ3 3.86Å; F116-W128 HydrophobicContact CZ-CZ3 3.86Å; E124-W128 WeakPolarHBondContact O-CB 3.3Å; E124-W128 PolarHBondContact O-N 2.94Å; E124-W128 VanDerWaalsContact O-N 3.09Å; W128-K132 HydrophobicContact CD2-CD 4.09Å; W128-K132 HydrophobicContact CE3-CD 4.25Å; W128-K132 HydrophobicContact CH2-CD 4.27Å; W128-K132 HydrophobicContact CZ2-CD 4.08Å; W128-K132 HydrophobicContact CZ3-CD 4.33Å; W128-K132 VanDerWaalsContact NE1-CE 3.31Å; W128-K132 WeakPolarHBondContact O-CD 3.37Å; W128-K132 WeakPolarHBondContact O-CG 3.23Å; W128-F165 HydrophobicContact CH2-CZ 4.34Å; W128-F165 HydrophobicContact CZ3-CZ 4.16Å; W128-V171 HydrophobicContact CH2-CB 4.39Å; W128-V171 HydrophobicContact CH2-CG1 3.56Å; W128-V171 HydrophobicContact CZ2-CG1 4.24Å; W128-V171 HydrophobicContact CZ3-CG1 4.41Å; W128-F174 HydrophobicContact CB-CD2 4.46Å; W128-F174 HydrophobicContact CB-CE2 3.96Å; W128-F174 AromaticContact CD1-CD2 3.57Å; W128-F174 AromaticContact CD1-CE2 3.79Å; W128-F174 AromaticContact CD2-CD2 3.93Å; W128-F174 HydrophobicContact CD2-CD2 3.93Å; W128-F174 HydrophobicContact CD2-CE2 4.29Å; W128-F174 AromaticContact CE2-CD2 3.78Å; W128-F174 AromaticContact CG-CD2 3.75Å; W128-F174 HydrophobicContact CG-CD2 3.75Å; W128-F174 AromaticContact CG-CE2 3.74Å; W128-F174 HydrophobicContact CG-CE2 3.74Å; W128-F174 HydrophobicContact CZ2-CB 4.44Å; W128-F174 AromaticContact NE1-CD2 3.55Å; W128-M179 HydrophobicContact CH2-CE 4.44Å
129L83.8Confident83.2Confident0 Ų058 Ų580%030%0.298CS..Hα-helixtrans-76.3-36.2179.4-84.6-175.8000112.9I113 V125 Q126 E127 E131 K132 G133 I135 I138 V154 F165I113-L129 HydrophobicContact CD1-CD2 4.02Å; V125-L129 HydrophobicContact CG1-CD1 3.59Å; V125-L129 HydrophobicContact CG1-CG 4.17Å; V125-L129 WeakPolarHBondContact O-CB 3.39Å; V125-L129 WeakPolarHBondContact O-CG 3.29Å; V125-L129 PolarHBondContact O-N 3.13Å; Q126-L129 PolarHBondContact O-N 3.22Å; E127-L129 VanDerWaalsContact C-N 3.26Å; E127-L129 PolarHBondContact O-N 3.23Å; L129-E131 VanDerWaalsContact C-N 3.26Å; L129-E131 PolarHBondContact O-N 2.83Å; L129-K132 PolarHBondContact O-N 2.77Å; L129-G133 PolarHBondContact O-N 2.88Å; L129-I135 HydrophobicContact CB-CD1 3.39Å; L129-I135 HydrophobicContact CD1-CD1 4.13Å; L129-I135 HydrophobicContact CD2-CD1 4Å; L129-I135 HydrophobicContact CG-CD1 4.03Å; L129-I135 WeakPolarHBondContact O-CD1 3.2Å; L129-I138 HydrophobicContact CD1-CD1 3.73Å; L129-I138 HydrophobicContact CD1-CG1 3.88Å; L129-I138 HydrophobicContact CD1-CG2 4.35Å; L129-V154 HydrophobicContact CD1-CG1 4.15Å; L129-V154 HydrophobicContact CD1-CG2 3.51Å; L129-V154 HydrophobicContact CD2-CG1 4.48Å; L129-V154 HydrophobicContact CD2-CG2 4.15Å; L129-F165 HydrophobicContact CD2-CE2 4.03Å; L129-F165 HydrophobicContact CD2-CZ 3.81Å
130N82.1Confident83.4Confident71 Ų7150.9 Ų50.938%0.3827%0.265SS..Hα-helixtrans-63.3-31.2176.3-78-28.1000112.4Q126 E127 K132Q126-N130 VanDerWaalsContact O-CB 3.3Å; Q126-N130 WeakPolarHBondContact O-CB 3.44Å; Q126-N130 PolarHBondContact O-N 2.8Å; Q126-N130 PolarHBondContact O-ND2 3.38Å; Q126-N130 VanDerWaalsContact O-ND2 3.12Å; E127-N130 PolarHBondContact O-N 3.1Å; N130-K132 PolarHBondContact O-N 2.98Å
131E79Confident83.5Confident158 Ų15853.5 Ų53.574%0.73827%0.274SS*.THydrogen-bonded Turntrans-65.8-18.1174.3-69.6-178.9171.700112.8E127 L129E127-E131 PolarHBondContact O-N 3.4Å; L129-E131 VanDerWaalsContact C-N 3.26Å; L129-E131 PolarHBondContact O-N 2.83Å
132K75.9Confident83.5Confident26 Ų2656.3 Ų56.311%0.11328%0.28CS..THydrogen-bonded Turntrans-110.3-14.6-167.6-64172.4177.4-107.70113.8W128 L129 N130 F165 D170 V171W128-K132 HydrophobicContact CD2-CD 4.09Å; W128-K132 HydrophobicContact CE3-CD 4.25Å; W128-K132 HydrophobicContact CH2-CD 4.27Å; W128-K132 HydrophobicContact CZ2-CD 4.08Å; W128-K132 HydrophobicContact CZ3-CD 4.33Å; W128-K132 VanDerWaalsContact NE1-CE 3.31Å; W128-K132 WeakPolarHBondContact O-CD 3.37Å; W128-K132 WeakPolarHBondContact O-CG 3.23Å; L129-K132 PolarHBondContact O-N 2.77Å; N130-K132 PolarHBondContact O-N 2.98Å; K132-F165 HydrophobicContact CB-CD2 4.07Å; K132-F165 HydrophobicContact CB-CE2 3.79Å; K132-F165 HydrophobicContact CD-CE2 3.81Å; K132-F165 HydrophobicContact CG-CE2 4.4Å; K132-D170 PolarHBondContact NZ-O 2.82Å; K132-D170 IonicContact NZ-OD2 2.65Å; K132-D170 PolarHBondContact NZ-OD2 2.8Å; K132-V171 HydrophobicContact CD-CG2 4.23Å
133G75Confident83.6Confident24 Ų2457.1 Ų57.125%0.24729%0.285CS..  trans165.4174.2173.400000115.3L129 I135L129-G133 PolarHBondContact O-N 2.88Å; G133-I135 PolarHBondContact O-N 3.26Å
134S78.6Confident83.6Confident73 Ų7358.7 Ų58.751%0.5130%0.297SS..  trans-74.4113.9172.9-59.90000110.7E157S134-E157 PolarHBondContact O-N 3.44Å
135I84.1Confident83.4Confident35 Ų3562.1 Ų62.118%0.17931%0.313CS..EExtended strand (participates in β ladder)trans-115133.8-175.7-67.4160.4000109.8L129 G133 I138 V154 F156L129-I135 HydrophobicContact CB-CD1 3.39Å; L129-I135 HydrophobicContact CD1-CD1 4.13Å; L129-I135 HydrophobicContact CD2-CD1 4Å; L129-I135 HydrophobicContact CG-CD1 4.03Å; L129-I135 WeakPolarHBondContact O-CD1 3.2Å; G133-I135 PolarHBondContact O-N 3.26Å; I135-I138 HydrophobicContact CG2-CD1 4.28Å; I135-I138 HydrophobicContact CG2-CG1 3.7Å; I135-V154 HydrophobicContact CB-CG1 4.4Å; I135-V154 HydrophobicContact CD1-CG1 3.86Å; I135-V154 HydrophobicContact CG1-CG1 3.86Å; I135-V154 HydrophobicContact CG2-CG1 3.63Å; I135-F156 HydrophobicContact CD1-CE1 4.06Å; I135-F156 HydrophobicContact CD1-CZ 4.46Å; I135-F156 HydrophobicContact CG1-CD1 3.79Å; I135-F156 HydrophobicContact CG1-CE1 3.6Å; I135-F156 HydrophobicContact CG1-CZ 4.28Å
136E82.4Confident83.2Confident64 Ų6472.3 Ų72.330%0.29935%0.352SS..EExtended strand (participates in β ladder)trans-92.3-38.9-178.9-166.3-175.2162.300111.5H26 R109 C155H26-E136 VanDerWaalsContact CD2-CD 3.44Å; H26-E136 IonicContact CD2-OE1 2.81Å; H26-E136 PolarHBondContact CD2-OE1 3.29Å; H26-E136 IonicContact NE2-OE1 2.98Å; H26-E136 PolarHBondContact NE2-OE1 2.75Å; H26-E136 IonicContact NE2-OE2 2.74Å; H26-E136 PolarHBondContact NE2-OE2 3.44Å; R109-E136 IonicContact CZ-OE2 2.91Å; R109-E136 IonicContact NH1-OE2 2.99Å; R109-E136 PolarHBondContact NH1-OE2 2.86Å; R109-E136 IonicContact NH2-OE1 3.11Å; R109-E136 PolarHBondContact NH2-OE1 3.11Å; R109-E136 IonicContact NH2-OE2 2.88Å; R109-E136 PolarHBondContact NH2-OE2 3.47Å; E136-C155 PolarHBondContact N-O 2.87Å
137S83.3Confident83.2Confident12 Ų1276.1 Ų76.18%0.08437%0.369CS..EExtended strand (participates in β ladder)trans-150.4138.5-177.6-1740000112.8C155S137-C155 PolarHBondContact N-O 2.91Å; S137-C155 PolarHBondContact O-N 3.43Å
138I87.1Confident83.3Confident21 Ų2171.7 Ų71.711%0.10835%0.348CS..EExtended strand (participates in β ladder)trans-120.1120.3176.1-59.7168.5000107.6V125 Q126 L129 I135 V152V125-I138 HydrophobicContact CG1-CG2 4.08Å; Q126-I138 HydrophobicContact CB-CD1 4.02Å; Q126-I138 HydrophobicContact CG-CD1 4.15Å; L129-I138 HydrophobicContact CD1-CD1 3.73Å; L129-I138 HydrophobicContact CD1-CG1 3.88Å; L129-I138 HydrophobicContact CD1-CG2 4.35Å; I135-I138 HydrophobicContact CG2-CD1 4.28Å; I135-I138 HydrophobicContact CG2-CG1 3.7Å; I138-V152 HydrophobicContact CG2-CG1 3.54Å
139Q85.9Confident83.3Confident82 Ų8274.4 Ų74.438%0.38336%0.361SS..EExtended strand (participates in β ladder)trans-117.3101.5177.5-177.8178.6-11.500110.1V152 F153Q139-V152 WeakPolarHBondContact O-CA 3.45Å; Q139-F153 HydrophobicContact CB-CB 4.29Å; Q139-F153 PolarHBondContact N-O 3.04Å; Q139-F153 PolarHBondContact O-N 3.42Å
140M88.3Confident83.4Confident31 Ų3174.6 Ų74.615%0.15336%0.363CS..EExtended strand (participates in β ladder)trans-71.7127.8172.6-62.4178.583.200110.4T120 L122 K142 F148 V152T120-M140 WeakPolarHBondContact O-CE 3.3Å; L122-M140 HydrophobicContact CB-SD 3.59Å; L122-M140 VanDerWaalsContact CB-SD 3.59Å; L122-M140 HydrophobicContact CD1-SD 4.17Å; L122-M140 HydrophobicContact CG-SD 3.98Å; M140-K142 PolarHBondContact O-N 3.08Å; M140-F148 HydrophobicContact CB-CD2 4.18Å; M140-F148 HydrophobicContact CB-CE2 4Å; M140-F148 HydrophobicContact CE-CD1 4.16Å; M140-F148 HydrophobicContact CE-CD2 3.73Å; M140-F148 HydrophobicContact CE-CE1 4.04Å; M140-F148 HydrophobicContact CE-CE2 3.62Å; M140-F148 HydrophobicContact CE-CG 4.01Å; M140-F148 HydrophobicContact CE-CZ 3.78Å; M140-F148 HydrophobicContact CG-CE2 4.32Å; M140-V152 HydrophobicContact CG-CG2 4.18Å
141R86.7Confident83.7Confident63 Ų6371.3 Ų71.324%0.23835%0.346CS..EExtended strand (participates in β ladder)trans-81.5119178.4-60.1-17868-139.86109.7F148 K149 S151 F153 Y187R141-F148 WeakPolarHBondContact O-CD2 3.37Å; R141-K149 PolarHBondContact O-N 3.07Å; R141-S151 VanDerWaalsContact CB-O 3.3Å; R141-S151 WeakPolarHBondContact CB-O 3.46Å; R141-S151 WeakPolarHBondContact CD-OG 3.45Å; R141-S151 PolarHBondContact N-O 3.12Å; R141-S151 PolarHBondContact NH1-OG 3.46Å; R141-F153 VanDerWaalsContact CD-CE2 3.45Å; R141-F153 HydrophobicContact CG-CD2 3.91Å; R141-F153 HydrophobicContact CG-CE2 3.99Å; R141-Y187 VanDerWaalsContact CZ-OH 3.23Å; R141-Y187 PolarHBondContact NH1-OH 3.46Å; R141-Y187 PolarHBondContact NH2-OH 3.26Å
142K86.3Confident84.2Confident128 Ų12863.8 Ų63.856%0.55731%0.311SS*.EExtended strand (participates in β ladder)trans-108.6155.3177.5-62.9178.9-178.4-1770110.2M140 Q147M140-K142 PolarHBondContact O-N 3.08Å; K142-Q147 CarbonylContact C-O 3.48Å; K142-Q147 WeakPolarHBondContact CA-O 3.47Å
143N85.3Confident84.8Confident61 Ų6163.6 Ų63.633%0.32631%0.31SS..  trans-82.1175170.7-152.315.3000111.2H145 R146 Q147 K149N143-H145 PolarHBondContact O-N 3.02Å; N143-R146 WeakPolarHBondContact O-CA 3.43Å; N143-R146 PolarHBondContact O-N 3.26Å; N143-Q147 PolarHBondContact N-O 2.87Å; N143-K149 VanDerWaalsContact CB-CE 3.48Å; N143-K149 HydrophobicContact CB-CG 4.26Å; N143-K149 VanDerWaalsContact CG-CE 3.41Å; N143-K149 WeakPolarHBondContact OD1-CE 3.29Å; N143-K149 PolarHBondContact OD1-NZ 3.28Å
144V84.1Confident85.4Confident119 Ų11962.5 Ų62.572%0.72130%0.298SS*.THydrogen-bonded Turntrans-54.4-36.5173.8-175.30000111R146V144-R146 PolarHBondContact O-N 3.29Å; V144-R146 VanDerWaalsContact O-N 3.13Å
145H82.8Confident85.9Confident141 Ų14159.3 Ų59.365%0.65328%0.276SS*.THydrogen-bonded Turntrans-76.213.3173.3-54.2-58000114.9N143 Q147N143-H145 PolarHBondContact O-N 3.02Å; H145-Q147 HydrophobicContact CB-CG 4.4Å; H145-Q147 PolarHBondContact O-N 3.37Å
146R80.9Confident86.1Confident214 Ų21457.6 Ų57.681%0.80827%0.267SS*.SBendtrans59.38.5-176.6-58.5-178.8173.8-170-1.9115.9N143 V144N143-R146 WeakPolarHBondContact O-CA 3.43Å; N143-R146 PolarHBondContact O-N 3.26Å; V144-R146 PolarHBondContact O-N 3.29Å; V144-R146 VanDerWaalsContact O-N 3.13Å
147Q84.9Confident86.1Confident130 Ų13060.6 Ų60.661%0.60728%0.281SS*.  trans-75143174.3-68.9173.7-21.300111K142 N143 H145K142-Q147 CarbonylContact C-O 3.48Å; K142-Q147 WeakPolarHBondContact CA-O 3.47Å; N143-Q147 PolarHBondContact N-O 2.87Å; H145-Q147 HydrophobicContact CB-CG 4.4Å; H145-Q147 PolarHBondContact O-N 3.37Å
148F87.6Confident86.2Confident22 Ų2262.9 Ų62.910%0.09630%0.295CS..EExtended strand (participates in β ladder)trans-69.8133.3179.4-179.9-135.7000111.1F116 P117 L118 M140 R141 G150 S151 V152F116-F148 HydrophobicContact CB-CE1 3.57Å; F116-F148 HydrophobicContact CB-CZ 3.71Å; F116-F148 HydrophobicContact CD2-CZ 4.29Å; F116-F148 HydrophobicContact CG-CZ 4.26Å; P117-F148 WeakPolarHBondContact O-CD1 3.4Å; P117-F148 VanDerWaalsContact O-CE1 3.29Å; P117-F148 WeakPolarHBondContact O-CE1 3.32Å; L118-F148 WeakPolarHBondContact CD2-O 3.43Å; M140-F148 HydrophobicContact CB-CD2 4.18Å; M140-F148 HydrophobicContact CB-CE2 4Å; M140-F148 HydrophobicContact CE-CD1 4.16Å; M140-F148 HydrophobicContact CE-CD2 3.73Å; M140-F148 HydrophobicContact CE-CE1 4.04Å; M140-F148 HydrophobicContact CE-CE2 3.62Å; M140-F148 HydrophobicContact CE-CG 4.01Å; M140-F148 HydrophobicContact CE-CZ 3.78Å; M140-F148 HydrophobicContact CG-CE2 4.32Å; R141-F148 WeakPolarHBondContact O-CD2 3.37Å; F148-G150 VanDerWaalsContact C-N 3.29Å; F148-G150 VanDerWaalsContact CE1-CA 3.47Å; F148-G150 PolarHBondContact O-N 3.23Å; F148-S151 VanDerWaalsContact CE2-O 3.31Å; F148-S151 WeakPolarHBondContact CE2-O 3.49Å; F148-V152 HydrophobicContact CE2-CG2 3.88Å; F148-V152 HydrophobicContact CZ-CG2 3.81Å
149K84.8Confident86.1Confident88 Ų8866.1 Ų66.138%0.38331%0.309SS..EExtended strand (participates in β ladder)trans-86.87.8178.6-65.8-168.8179.2-173.70113.4R141 N143 S151R141-K149 PolarHBondContact O-N 3.07Å; N143-K149 VanDerWaalsContact CB-CE 3.48Å; N143-K149 HydrophobicContact CB-CG 4.26Å; N143-K149 VanDerWaalsContact CG-CE 3.41Å; N143-K149 WeakPolarHBondContact OD1-CE 3.29Å; N143-K149 PolarHBondContact OD1-NZ 3.28Å; K149-S151 PolarHBondContact O-N 3.02Å
150G86.3Confident86Confident4 Ų468.9 Ų68.94%0.04132%0.322CS..EExtended strand (participates in β ladder)trans67.221.6-173.700000114K114 G115 F116 F148K114-G150 WeakPolarHBondContact CA-O 3.34Å; G115-G150 PolarHBondContact N-O 3.12Å; F116-G150 PolarHBondContact N-O 3.4Å; F116-G150 WeakPolarHBondContact O-CA 3.39Å; F148-G150 VanDerWaalsContact C-N 3.29Å; F148-G150 VanDerWaalsContact CE1-CA 3.47Å; F148-G150 PolarHBondContact O-N 3.23Å
151S87.6Confident85.8Confident2 Ų268.9 Ų68.91%0.01433%0.325CS..EExtended strand (participates in β ladder)trans-138.5145.3179.952.90000113Y112 I113 R141 F148 K149Y112-S151 WeakPolarHBondContact OH-CB 3.5Å; I113-S151 CarbonylContact O-C 3.6Å; I113-S151 WeakPolarHBondContact O-CA 3.18Å; I113-S151 WeakPolarHBondContact O-CB 3.08Å; R141-S151 VanDerWaalsContact CB-O 3.3Å; R141-S151 WeakPolarHBondContact CB-O 3.46Å; R141-S151 WeakPolarHBondContact CD-OG 3.45Å; R141-S151 PolarHBondContact N-O 3.12Å; R141-S151 PolarHBondContact NH1-OG 3.46Å; F148-S151 VanDerWaalsContact CE2-O 3.31Å; F148-S151 WeakPolarHBondContact CE2-O 3.49Å; K149-S151 PolarHBondContact O-N 3.02Å
152V89.9Confident85.7Confident0 Ų066 Ų660%032%0.315CS..EExtended strand (participates in β ladder)trans-137.4140.8-171.6-176.60000109I113 F116 V125 I138 Q139 M140 F148 V154I113-V152 PolarHBondContact N-O 2.96Å; I113-V152 PolarHBondContact O-N 3.43Å; F116-V152 HydrophobicContact CD2-CB 4.39Å; F116-V152 HydrophobicContact CD2-CG2 3.67Å; F116-V152 HydrophobicContact CE2-CB 3.98Å; F116-V152 HydrophobicContact CE2-CG2 3.65Å; V125-V152 HydrophobicContact CG1-CG1 4.37Å; V125-V152 HydrophobicContact CG1-CG2 4.38Å; I138-V152 HydrophobicContact CG2-CG1 3.54Å; Q139-V152 WeakPolarHBondContact O-CA 3.45Å; M140-V152 HydrophobicContact CG-CG2 4.18Å; F148-V152 HydrophobicContact CE2-CG2 3.88Å; F148-V152 HydrophobicContact CZ-CG2 3.81Å; V152-V154 HydrophobicContact CG1-CG2 4.01Å
153F89.3Confident85.6Confident22 Ų2265.1 Ų65.110%0.09631%0.311CS..EExtended strand (participates in β ladder)trans-98.7131163.3-71.4-69000109.3V111 Y112 Q139 R141 R184 Y187V111-F153 WeakPolarHBondContact O-CA 3.27Å; Y112-F153 AromaticContact CD2-CD1 3.94Å; Y112-F153 HydrophobicContact CD2-CD1 3.94Å; Y112-F153 AromaticContact CD2-CE1 3.49Å; Y112-F153 HydrophobicContact CD2-CE1 3.49Å; Y112-F153 VanDerWaalsContact CD2-CE1 3.49Å; Y112-F153 AromaticContact CD2-CZ 3.82Å; Y112-F153 HydrophobicContact CD2-CZ 3.82Å; Y112-F153 HydrophobicContact CE2-CE1 4.48Å; Y112-F153 HydrophobicContact CE2-CZ 4.42Å; Y112-F153 HydrophobicContact CG-CE1 4.11Å; Q139-F153 HydrophobicContact CB-CB 4.29Å; Q139-F153 PolarHBondContact N-O 3.04Å; Q139-F153 PolarHBondContact O-N 3.42Å; R141-F153 VanDerWaalsContact CD-CE2 3.45Å; R141-F153 HydrophobicContact CG-CD2 3.91Å; R141-F153 HydrophobicContact CG-CE2 3.99Å; F153-R184 HydrophobicContact CD1-CG 4.45Å; F153-R184 HydrophobicContact CE1-CG 4.12Å; F153-Y187 HydrophobicContact CE1-CD1 4.01Å; F153-Y187 HydrophobicContact CE1-CE1 4.39Å; F153-Y187 AromaticContact CZ-CD1 3.79Å; F153-Y187 HydrophobicContact CZ-CD1 3.79Å; F153-Y187 AromaticContact CZ-CE1 3.71Å; F153-Y187 HydrophobicContact CZ-CE1 3.71Å
154V88.2Confident85.5Confident0 Ų067.5 Ų67.50%032%0.32CS..EExtended strand (participates in β ladder)trans-118.3124.9179.3-176.20000107.8S110 V111 I113 L129 I135 V152 F156S110-V154 CarbonylContact C-O 3.54Å; S110-V154 VanDerWaalsContact CA-O 3.27Å; S110-V154 WeakPolarHBondContact CA-O 3.49Å; V111-V154 PolarHBondContact N-O 2.98Å; V111-V154 PolarHBondContact O-N 3.13Å; I113-V154 HydrophobicContact CD1-CG2 3.71Å; I113-V154 HydrophobicContact CG1-CG2 4.46Å; L129-V154 HydrophobicContact CD1-CG1 4.15Å; L129-V154 HydrophobicContact CD1-CG2 3.51Å; L129-V154 HydrophobicContact CD2-CG1 4.48Å; L129-V154 HydrophobicContact CD2-CG2 4.15Å; I135-V154 HydrophobicContact CB-CG1 4.4Å; I135-V154 HydrophobicContact CD1-CG1 3.86Å; I135-V154 HydrophobicContact CG1-CG1 3.86Å; I135-V154 HydrophobicContact CG2-CG1 3.63Å; V152-V154 HydrophobicContact CG1-CG2 4.01Å; V154-F156 HydrophobicContact CB-CE2 4.25Å; V154-F156 HydrophobicContact CG1-CD2 4.25Å; V154-F156 HydrophobicContact CG1-CE1 4.5Å; V154-F156 HydrophobicContact CG1-CE2 3.78Å; V154-F156 HydrophobicContact CG1-CZ 3.92Å
155C88.1Confident85.4Confident6 Ų662 Ų624%0.04129%0.287CS..EExtended strand (participates in β ladder)trans-101.6116.8173.1-169.40000108.6H26 E136 S137H26-C155 PolarHBondContact CE1-SG 3.06Å; E136-C155 PolarHBondContact N-O 2.87Å; S137-C155 PolarHBondContact N-O 2.91Å; S137-C155 PolarHBondContact O-N 3.43Å
156F88.3Confident85.3Confident0 Ų058.3 Ų58.30%027%0.271CS..EExtended strand (participates in β ladder)trans-83.8156.8174.5-70.1-87.9000110.7R109 V111 I135 V154 T158 A162 F165R109-F156 WeakPolarHBondContact CD-O 3.44Å; R109-F156 WeakPolarHBondContact CG-O 3.25Å; R109-F156 PolarHBondContact O-N 3.02Å; V111-F156 HydrophobicContact CB-CE2 4.08Å; V111-F156 HydrophobicContact CG2-CD2 4.05Å; V111-F156 HydrophobicContact CG2-CE2 3.76Å; I135-F156 HydrophobicContact CD1-CE1 4.06Å; I135-F156 HydrophobicContact CD1-CZ 4.46Å; I135-F156 HydrophobicContact CG1-CD1 3.79Å; I135-F156 HydrophobicContact CG1-CE1 3.6Å; I135-F156 HydrophobicContact CG1-CZ 4.28Å; V154-F156 HydrophobicContact CB-CE2 4.25Å; V154-F156 HydrophobicContact CG1-CD2 4.25Å; V154-F156 HydrophobicContact CG1-CE1 4.5Å; V154-F156 HydrophobicContact CG1-CE2 3.78Å; V154-F156 HydrophobicContact CG1-CZ 3.92Å; F156-T158 WeakPolarHBondContact CB-O 3.33Å; F156-A162 HydrophobicContact CB-CB 4.24Å; F156-A162 HydrophobicContact CD2-CB 3.79Å; F156-A162 HydrophobicContact CG-CB 4.24Å; F156-F165 HydrophobicContact CE1-CB 4.43Å; F156-F165 HydrophobicContact CE1-CD2 4.19Å; F156-F165 HydrophobicContact CE1-CG 4.37Å; F156-F165 HydrophobicContact CE2-CB 4.18Å; F156-F165 HydrophobicContact CE2-CD1 4.14Å; F156-F165 HydrophobicContact CE2-CG 4.05Å; F156-F165 HydrophobicContact CZ-CB 3.82Å; F156-F165 AromaticContact CZ-CD1 3.94Å; F156-F165 HydrophobicContact CZ-CD1 3.94Å; F156-F165 AromaticContact CZ-CD2 3.59Å; F156-F165 HydrophobicContact CZ-CD2 3.59Å; F156-F165 HydrophobicContact CZ-CE1 4.36Å; F156-F165 HydrophobicContact CZ-CE2 4.04Å; F156-F165 AromaticContact CZ-CG 3.52Å; F156-F165 HydrophobicContact CZ-CG 3.52Å; F156-F165 HydrophobicContact CZ-CZ 4.39Å
157E83.3Confident85.2Confident127 Ų12755.7 Ų55.759%0.59327%0.268SS*.SBendtrans-64.5-44.3174.3-172.8173.5-17100110.7R109 S134R109-E157 PolarHBondContact NH1-O 3.02Å; S134-E157 PolarHBondContact O-N 3.44Å
158T85.1Confident84.9Confident60 Ų6054.9 Ų54.937%0.36826%0.26SS..SBendtrans-115.8149.8179.4680000112.3F156 E160 S161 A162F156-T158 WeakPolarHBondContact CB-O 3.33Å; T158-E160 PolarHBondContact O-N 2.81Å; T158-S161 PolarHBondContact O-N 3.15Å; T158-S161 WeakPolarHBondContact OG1-CB 3.16Å; T158-S161 PolarHBondContact OG1-N 3.47Å; T158-S161 VanDerWaalsContact OG1-N 3.13Å; T158-S161 PolarHBondContact OG1-OG 3.24Å; T158-A162 PolarHBondContact O-N 2.82Å
159E84.1Confident84.1Confident88 Ų8858.7 Ų58.741%0.41129%0.285SS..Hα-helixtrans-64.7-32.2172.7-166.1-169.8156.700111.6A162 K163E159-A162 WeakPolarHBondContact O-CB 3.1Å; E159-A162 PolarHBondContact O-N 3.17Å; E159-K163 WeakPolarHBondContact O-CG 3.43Å; E159-K163 PolarHBondContact O-N 2.86Å; E159-K163 WeakPolarHBondContact OE1-CE 3.42Å; E159-K163 IonicContact OE1-NZ 2.78Å; E159-K163 PolarHBondContact OE1-NZ 2.83Å
160E84.8Confident83.4Confident141 Ų14157.7 Ų57.766%0.65928%0.284SS*.Hα-helixtrans-62.5-44.4176.8-62.8-176.7178.100111.6T158 A162 K163 Q164T158-E160 PolarHBondContact O-N 2.81Å; E160-A162 VanDerWaalsContact C-N 3.3Å; E160-A162 PolarHBondContact O-N 3.3Å; E160-K163 PolarHBondContact O-N 3.38Å; E160-Q164 WeakPolarHBondContact O-CB 3.25Å; E160-Q164 VanDerWaalsContact O-CG 3.29Å; E160-Q164 WeakPolarHBondContact O-CG 3.39Å; E160-Q164 PolarHBondContact O-N 3Å
161S84.5Confident82.5Confident31 Ų3157.5 Ų57.522%0.21728%0.282CS..Hα-helixtrans-62.8-37.8175-64.80000111.8T158 F165T158-S161 PolarHBondContact O-N 3.15Å; T158-S161 WeakPolarHBondContact OG1-CB 3.16Å; T158-S161 PolarHBondContact OG1-N 3.47Å; T158-S161 VanDerWaalsContact OG1-N 3.13Å; T158-S161 PolarHBondContact OG1-OG 3.24Å; S161-F165 VanDerWaalsContact O-CB 3.23Å; S161-F165 WeakPolarHBondContact O-CB 3.35Å; S161-F165 PolarHBondContact O-N 3.31Å
162A83.6Confident81.5Confident3 Ų362.7 Ų62.73%0.02530%0.304CS..Hα-helixtrans-63.7-42.3174.500000112.2V111 F156 T158 E159 E160 F165 L166V111-A162 HydrophobicContact CG2-CB 3.95Å; F156-A162 HydrophobicContact CB-CB 4.24Å; F156-A162 HydrophobicContact CD2-CB 3.79Å; F156-A162 HydrophobicContact CG-CB 4.24Å; T158-A162 PolarHBondContact O-N 2.82Å; E159-A162 WeakPolarHBondContact O-CB 3.1Å; E159-A162 PolarHBondContact O-N 3.17Å; E160-A162 VanDerWaalsContact C-N 3.3Å; E160-A162 PolarHBondContact O-N 3.3Å; A162-F165 PolarHBondContact O-N 3.16Å; A162-L166 WeakPolarHBondContact O-CG 3.04Å; A162-L166 PolarHBondContact O-N 3.49Å; A162-L166 VanDerWaalsContact O-N 3.12Å
163K83.8Confident80.8Confident109 Ų10966.9 Ų66.947%0.47433%0.33SS..Hα-helixtrans-67.1-46.5176.9-72.8176.1-177.3163.90112.3E159 E160 F165 L166 E167E159-K163 WeakPolarHBondContact O-CG 3.43Å; E159-K163 PolarHBondContact O-N 2.86Å; E159-K163 WeakPolarHBondContact OE1-CE 3.42Å; E159-K163 IonicContact OE1-NZ 2.78Å; E159-K163 PolarHBondContact OE1-NZ 2.83Å; E160-K163 PolarHBondContact O-N 3.38Å; K163-F165 PolarHBondContact O-N 3.33Å; K163-L166 WeakPolarHBondContact O-CB 3.23Å; K163-L166 PolarHBondContact O-N 2.88Å; K163-E167 PolarHBondContact O-N 3.45Å
164Q83.3Confident80.2Confident110 Ų11066.6 Ų66.651%0.51433%0.329SS..Hα-helixtrans-57.7-37.8174.9-72.7175.47.500111.5E160 L166 E167 R168E160-Q164 WeakPolarHBondContact O-CB 3.25Å; E160-Q164 VanDerWaalsContact O-CG 3.29Å; E160-Q164 WeakPolarHBondContact O-CG 3.39Å; E160-Q164 PolarHBondContact O-N 3Å; Q164-L166 VanDerWaalsContact C-N 3.35Å; Q164-E167 PolarHBondContact O-N 2.84Å; Q164-R168 WeakPolarHBondContact O-CB 3.36Å; Q164-R168 WeakPolarHBondContact O-CG 3.3Å; Q164-R168 PolarHBondContact O-N 2.96Å
165F82.6Confident79.1Confident4 Ų471.9 Ų71.92%0.01835%0.352CS..Hα-helixtrans-68.3-31.5176.4-169.7-92.3000113.2V111 I113 W128 L129 K132 F156 S161 A162 K163 V171 V181V111-F165 HydrophobicContact CG1-CD1 4.01Å; V111-F165 HydrophobicContact CG1-CE1 4.15Å; I113-F165 HydrophobicContact CD1-CE1 3.48Å; I113-F165 VanDerWaalsContact CD1-CE1 3.48Å; I113-F165 HydrophobicContact CD1-CZ 3.56Å; I113-F165 HydrophobicContact CG1-CE1 4.05Å; W128-F165 HydrophobicContact CH2-CZ 4.34Å; W128-F165 HydrophobicContact CZ3-CZ 4.16Å; L129-F165 HydrophobicContact CD2-CE2 4.03Å; L129-F165 HydrophobicContact CD2-CZ 3.81Å; K132-F165 HydrophobicContact CB-CD2 4.07Å; K132-F165 HydrophobicContact CB-CE2 3.79Å; K132-F165 HydrophobicContact CD-CE2 3.81Å; K132-F165 HydrophobicContact CG-CE2 4.4Å; F156-F165 HydrophobicContact CE1-CB 4.43Å; F156-F165 HydrophobicContact CE1-CD2 4.19Å; F156-F165 HydrophobicContact CE1-CG 4.37Å; F156-F165 HydrophobicContact CE2-CB 4.18Å; F156-F165 HydrophobicContact CE2-CD1 4.14Å; F156-F165 HydrophobicContact CE2-CG 4.05Å; F156-F165 HydrophobicContact CZ-CB 3.82Å; F156-F165 AromaticContact CZ-CD1 3.94Å; F156-F165 HydrophobicContact CZ-CD1 3.94Å; F156-F165 AromaticContact CZ-CD2 3.59Å; F156-F165 HydrophobicContact CZ-CD2 3.59Å; F156-F165 HydrophobicContact CZ-CE1 4.36Å; F156-F165 HydrophobicContact CZ-CE2 4.04Å; F156-F165 AromaticContact CZ-CG 3.52Å; F156-F165 HydrophobicContact CZ-CG 3.52Å; F156-F165 HydrophobicContact CZ-CZ 4.39Å; S161-F165 VanDerWaalsContact O-CB 3.23Å; S161-F165 WeakPolarHBondContact O-CB 3.35Å; S161-F165 PolarHBondContact O-N 3.31Å; A162-F165 PolarHBondContact O-N 3.16Å; K163-F165 PolarHBondContact O-N 3.33Å; F165-V171 HydrophobicContact CD1-CG1 4.11Å; F165-V171 HydrophobicContact CD1-CG2 4.46Å; F165-V171 HydrophobicContact CD2-CG2 3.9Å; F165-V171 HydrophobicContact CE1-CB 4.45Å; F165-V171 HydrophobicContact CE1-CG1 3.34Å; F165-V171 HydrophobicContact CE1-CG2 4.3Å; F165-V171 HydrophobicContact CE2-CG1 3.88Å; F165-V171 HydrophobicContact CE2-CG2 3.71Å; F165-V171 HydrophobicContact CG-CG2 4.29Å; F165-V171 HydrophobicContact CZ-CB 4.27Å; F165-V171 HydrophobicContact CZ-CG1 3.21Å; F165-V171 HydrophobicContact CZ-CG2 3.94Å; F165-V181 HydrophobicContact CD1-CG1 4.14Å; F165-V181 HydrophobicContact CE1-CG1 4.01Å
166L80.1Confident78.3Confident64 Ų6479.6 Ų79.634%0.33539%0.392SS..Hα-helixtrans-72.8-34.5174.4-70.9169.2000112.7V111 A162 K163 Q164 V181V111-L166 HydrophobicContact CG1-CD2 4.03Å; V111-L166 HydrophobicContact CG2-CD2 4.5Å; V111-L166 HydrophobicContact CG2-CG 4.38Å; A162-L166 WeakPolarHBondContact O-CG 3.04Å; A162-L166 PolarHBondContact O-N 3.49Å; A162-L166 VanDerWaalsContact O-N 3.12Å; K163-L166 WeakPolarHBondContact O-CB 3.23Å; K163-L166 PolarHBondContact O-N 2.88Å; Q164-L166 VanDerWaalsContact C-N 3.35Å; L166-V181 HydrophobicContact CD2-CG1 3.75Å
167E80.2Confident77.9Confident159 Ų15983 Ų8374%0.74341%0.41SS*.Hα-helixtrans-77.8-26.9179.2-69.3177.5179.600112.5K163 Q164 T169K163-E167 PolarHBondContact O-N 3.45Å; Q164-E167 PolarHBondContact O-N 2.84Å; E167-T169 PolarHBondContact O-N 3.37Å
168R77.4Confident77.6Confident113 Ų11385.2 Ų85.243%0.42642%0.421SS..  trans-64.3129.3-179-98.8-172.4176.5-158.85.3113Q164 D170 V171Q164-R168 WeakPolarHBondContact O-CB 3.36Å; Q164-R168 WeakPolarHBondContact O-CG 3.3Å; Q164-R168 PolarHBondContact O-N 2.96Å; R168-D170 WeakPolarHBondContact CB-OD1 3.3Å; R168-D170 VanDerWaalsContact CD-OD1 3.25Å; R168-D170 WeakPolarHBondContact CD-OD1 3.44Å; R168-D170 WeakPolarHBondContact CG-OD1 3.09Å; R168-D170 IonicContact NH1-OD2 3.19Å; R168-V171 HydrophobicContact CB-CG2 3.81Å
169T70.3Confident77.5Confident102 Ų10283 Ų8363%0.62641%0.406SS*.SBendtrans-87.9-20.3179.650.40000113.3E167 V171 K172E167-T169 PolarHBondContact O-N 3.37Å; T169-V171 PolarHBondContact O-N 3.16Å; T169-K172 WeakPolarHBondContact O-CB 3.31Å; T169-K172 PolarHBondContact O-N 3.33Å; T169-K172 VanDerWaalsContact O-N 3.15Å
170D70.4Confident77.5Confident67 Ų6782.4 Ų82.436%0.35841%0.406SS..THydrogen-bonded Turntrans-67.4-13.9174.761.9-65.7000113.1K132 R168 K172K132-D170 PolarHBondContact NZ-O 2.82Å; K132-D170 IonicContact NZ-OD2 2.65Å; K132-D170 PolarHBondContact NZ-OD2 2.8Å; R168-D170 WeakPolarHBondContact CB-OD1 3.3Å; R168-D170 VanDerWaalsContact CD-OD1 3.25Å; R168-D170 WeakPolarHBondContact CD-OD1 3.44Å; R168-D170 WeakPolarHBondContact CG-OD1 3.09Å; R168-D170 IonicContact NH1-OD2 3.19Å; D170-K172 VanDerWaalsContact C-N 3.35Å
171V68.3Low77.5Confident0 Ų077.1 Ų77.10%038%0.383CS..THydrogen-bonded Turntrans-83.8-16.4176.8-171.50000111.4W128 K132 F165 R168 T169 T173 M179 V181W128-V171 HydrophobicContact CH2-CB 4.39Å; W128-V171 HydrophobicContact CH2-CG1 3.56Å; W128-V171 HydrophobicContact CZ2-CG1 4.24Å; W128-V171 HydrophobicContact CZ3-CG1 4.41Å; K132-V171 HydrophobicContact CD-CG2 4.23Å; F165-V171 HydrophobicContact CD1-CG1 4.11Å; F165-V171 HydrophobicContact CD1-CG2 4.46Å; F165-V171 HydrophobicContact CD2-CG2 3.9Å; F165-V171 HydrophobicContact CE1-CB 4.45Å; F165-V171 HydrophobicContact CE1-CG1 3.34Å; F165-V171 HydrophobicContact CE1-CG2 4.3Å; F165-V171 HydrophobicContact CE2-CG1 3.88Å; F165-V171 HydrophobicContact CE2-CG2 3.71Å; F165-V171 HydrophobicContact CG-CG2 4.29Å; F165-V171 HydrophobicContact CZ-CB 4.27Å; F165-V171 HydrophobicContact CZ-CG1 3.21Å; F165-V171 HydrophobicContact CZ-CG2 3.94Å; R168-V171 HydrophobicContact CB-CG2 3.81Å; T169-V171 PolarHBondContact O-N 3.16Å; V171-T173 VanDerWaalsContact C-N 3.29Å; V171-T173 PolarHBondContact O-N 2.97Å; V171-M179 WeakPolarHBondContact O-CB 3.49Å; V171-M179 WeakPolarHBondContact O-CG 3.46Å; V171-V181 HydrophobicContact CB-CG2 4.35Å; V171-V181 HydrophobicContact CG1-CG2 3.58Å
172K66.4Low77.6Confident111 Ų11177.9 Ų77.948%0.48338%0.384SS..SBendtrans-77.7-10-173.8-63.5-178.7-179.3177.80113.9T169 D170 E178 M179T169-K172 WeakPolarHBondContact O-CB 3.31Å; T169-K172 PolarHBondContact O-N 3.33Å; T169-K172 VanDerWaalsContact O-N 3.15Å; D170-K172 VanDerWaalsContact C-N 3.35Å; K172-E178 CarbonylContact O-C 3.55Å; K172-E178 WeakPolarHBondContact O-CA 3.38Å; K172-M179 PolarHBondContact O-N 3.29Å
173T75.8Confident77.7Confident88 Ų8879.5 Ų79.554%0.5440%0.396SS..EExtended strand (participates in β ladder)trans-130.2133.3176.852.90000111.3V171 N177V171-T173 VanDerWaalsContact C-N 3.29Å; V171-T173 PolarHBondContact O-N 2.97Å; T173-N177 WeakPolarHBondContact CA-O 3.47Å
174F74.8Confident77.4Confident16 Ų1676.5 Ų76.57%0.0738%0.381CS..EExtended strand (participates in β ladder)trans-141.9119.6172178.9-100.6000109.5F116 T120 W128 D176 N177 M179F116-F174 AromaticContact CD1-CD1 3.84Å; F116-F174 HydrophobicContact CD1-CD1 3.84Å; F116-F174 AromaticContact CD1-CE1 3.87Å; F116-F174 HydrophobicContact CD1-CE1 3.87Å; F116-F174 HydrophobicContact CD1-CG 4.35Å; F116-F174 HydrophobicContact CD1-CZ 4.42Å; F116-F174 HydrophobicContact CE1-CD1 4.29Å; F116-F174 HydrophobicContact CE1-CE1 4.4Å; F116-F174 HydrophobicContact CE1-CG 4.37Å; T120-F174 HydrophobicContact CG2-CE1 4.04Å; T120-F174 HydrophobicContact CG2-CZ 4.2Å; W128-F174 HydrophobicContact CB-CD2 4.46Å; W128-F174 HydrophobicContact CB-CE2 3.96Å; W128-F174 AromaticContact CD1-CD2 3.57Å; W128-F174 AromaticContact CD1-CE2 3.79Å; W128-F174 AromaticContact CD2-CD2 3.93Å; W128-F174 HydrophobicContact CD2-CD2 3.93Å; W128-F174 HydrophobicContact CD2-CE2 4.29Å; W128-F174 AromaticContact CE2-CD2 3.78Å; W128-F174 AromaticContact CG-CD2 3.75Å; W128-F174 HydrophobicContact CG-CD2 3.75Å; W128-F174 AromaticContact CG-CE2 3.74Å; W128-F174 HydrophobicContact CG-CE2 3.74Å; W128-F174 HydrophobicContact CZ2-CB 4.44Å; W128-F174 AromaticContact NE1-CD2 3.55Å; F174-D176 VanDerWaalsContact C-N 3.29Å; F174-D176 PolarHBondContact O-N 2.99Å; F174-N177 PolarHBondContact N-O 2.78Å; F174-N177 WeakPolarHBondContact O-CB 3.39Å; F174-N177 PolarHBondContact O-N 2.91Å; F174-M179 HydrophobicContact CB-CE 4.03Å; F174-M179 HydrophobicContact CB-CG 3.82Å; F174-M179 HydrophobicContact CB-SD 3.73Å
175K66.9Low77.2Confident111 Ų11175.8 Ų75.848%0.48338%0.378SS..THydrogen-bonded Turntrans46.350.8-178.6-62.9-177.4174.3-179.10112.3E124 N177E124-K175 IonicContact OE1-NZ 2.81Å; E124-K175 PolarHBondContact OE1-NZ 2.89Å; E124-K175 IonicContact OE2-NZ 2.55Å; E124-K175 PolarHBondContact OE2-NZ 3.16Å; K175-N177 PolarHBondContact O-N 2.88Å; K175-N177 VanDerWaalsContact O-N 3.14Å
176D71.3Confident77.1Confident168 Ų16877.6 Ų77.690%0.89839%0.394SS*.THydrogen-bonded Turntrans64.66.7-177.4-53.1-47000116.8F174F174-D176 VanDerWaalsContact C-N 3.29Å; F174-D176 PolarHBondContact O-N 2.99Å
177N78.1Confident77.2Confident70 Ų7075.6 Ų75.637%0.37438%0.382SS..EExtended strand (participates in β ladder)trans-96.3138.5172-73-31.6000112.3G115 T173 F174 K175 M179G115-N177 WeakPolarHBondContact O-CB 3.29Å; G115-N177 PolarHBondContact O-ND2 2.95Å; T173-N177 WeakPolarHBondContact CA-O 3.47Å; F174-N177 PolarHBondContact N-O 2.78Å; F174-N177 WeakPolarHBondContact O-CB 3.39Å; F174-N177 PolarHBondContact O-N 2.91Å; K175-N177 PolarHBondContact O-N 2.88Å; K175-N177 VanDerWaalsContact O-N 3.14Å; N177-M179 PolarHBondContact O-N 3.09Å
178E77.9Confident77.1Confident175 Ų17571.8 Ų71.882%0.81836%0.364SS*.EExtended strand (participates in β ladder)trans-71.5125.1169.8-69.1-174.217500110.9K172K172-E178 CarbonylContact O-C 3.55Å; K172-E178 WeakPolarHBondContact O-CA 3.38Å
179M83.4Confident77.3Confident12 Ų1269 Ų696%0.05937%0.365CS..PPolyproline II helixtrans-98.3122.1-178.8-57.2-63.8-84.300109.7I113 K114 G115 F116 W128 V171 K172 F174 N177 V181I113-M179 HydrophobicContact CG2-CE 3.48Å; I113-M179 VanDerWaalsContact CG2-CE 3.48Å; K114-M179 CarbonylContact O-C 3.44Å; K114-M179 VanDerWaalsContact O-CA 3.29Å; K114-M179 WeakPolarHBondContact O-CA 3.36Å; G115-M179 WeakPolarHBondContact CA-SD 3.41Å; F116-M179 HydrophobicContact CD1-CE 3.63Å; F116-M179 HydrophobicContact CD2-CE 3.67Å; F116-M179 HydrophobicContact CE1-CE 3.47Å; F116-M179 VanDerWaalsContact CE1-CE 3.47Å; F116-M179 HydrophobicContact CE2-CE 3.52Å; F116-M179 HydrophobicContact CG-CE 3.73Å; F116-M179 HydrophobicContact CZ-CE 3.42Å; F116-M179 VanDerWaalsContact CZ-CE 3.42Å; W128-M179 HydrophobicContact CH2-CE 4.44Å; V171-M179 WeakPolarHBondContact O-CB 3.49Å; V171-M179 WeakPolarHBondContact O-CG 3.46Å; K172-M179 PolarHBondContact O-N 3.29Å; F174-M179 HydrophobicContact CB-CE 4.03Å; F174-M179 HydrophobicContact CB-CG 3.82Å; F174-M179 HydrophobicContact CB-SD 3.73Å; N177-M179 PolarHBondContact O-N 3.09Å; M179-V181 HydrophobicContact CB-CG2 4.5Å
180L83.6Confident77.9Confident76 Ų7670 Ų7040%0.39836%0.361SS..EExtended strand (participates in β ladder)trans-88.4108.1170.3-177.8141.9000108.8Y112 I113 K114 L182Y112-L180 HydrophobicContact CD1-CD2 4.17Å; Y112-L180 HydrophobicContact CE1-CD2 3.88Å; I113-L180 CarbonylContact C-O 3.52Å; I113-L180 WeakPolarHBondContact CA-O 3.39Å; K114-L180 HydrophobicContact CB-CB 4.35Å; K114-L180 HydrophobicContact CB-CD2 4.44Å; K114-L180 PolarHBondContact N-O 3.33Å; K114-L180 PolarHBondContact O-N 2.6Å; L180-L182 HydrophobicContact CD2-CD1 3.57Å; L180-L182 HydrophobicContact CD2-CG 3.67Å; L180-L182 HydrophobicContact CG-CG 4.36Å
181V85.8Confident78.5Confident31 Ų3170.2 Ų70.219%0.18836%0.359CS..EExtended strand (participates in β ladder)trans-105125.1177.4-165.80000108.3V111 Y112 I113 F165 L166 V171 M179V111-V181 HydrophobicContact CG1-CG1 3.41Å; V111-V181 VanDerWaalsContact CG1-CG1 3.41Å; Y112-V181 CarbonylContact O-C 3.53Å; Y112-V181 WeakPolarHBondContact O-CA 3.01Å; I113-V181 HydrophobicContact CG1-CG1 4.38Å; F165-V181 HydrophobicContact CD1-CG1 4.14Å; F165-V181 HydrophobicContact CE1-CG1 4.01Å; L166-V181 HydrophobicContact CD2-CG1 3.75Å; V171-V181 HydrophobicContact CB-CG2 4.35Å; V171-V181 HydrophobicContact CG1-CG2 3.58Å; M179-V181 HydrophobicContact CB-CG2 4.5Å
182L85.3Confident79Confident46 Ų4672.6 Ų72.624%0.24138%0.378CS..EExtended strand (participates in β ladder)trans-134.5152.7176.5-65.4175.9000109.4V111 Y112 L180V111-L182 WeakPolarHBondContact CG1-O 3.37Å; Y112-L182 HydrophobicContact CD1-CB 4.36Å; Y112-L182 PolarHBondContact N-O 2.99Å; Y112-L182 PolarHBondContact O-N 3.14Å; L180-L182 HydrophobicContact CD2-CD1 3.57Å; L180-L182 HydrophobicContact CD2-CG 3.67Å; L180-L182 HydrophobicContact CG-CG 4.36Å
183S85.9Confident79.7Confident38 Ų3873.4 Ų73.427%0.26638%0.384SS..EExtended strand (participates in β ladder)trans-62.5150.2163.568.60000109.7E185 A186 Y187S183-E185 PolarHBondContact O-N 3.05Å; S183-A186 PolarHBondContact O-N 3Å; S183-A186 VanDerWaalsContact OG-CB 3.27Å; S183-A186 WeakPolarHBondContact OG-CB 3.46Å; S183-A186 PolarHBondContact OG-N 3.21Å; S183-Y187 PolarHBondContact O-N 3.04Å
184R78.8Confident80.1Confident46 Ų4674 Ų7417%0.17438%0.38CS..Hα-helixtrans-58.2-36.2178.8-178.7165.6178.6-168-3.2112S110 F153 Y187 H188S110-R184 VanDerWaalsContact O-CB 3.29Å; S110-R184 WeakPolarHBondContact O-CB 3.37Å; S110-R184 PolarHBondContact O-N 3.48Å; S110-R184 VanDerWaalsContact O-N 3.08Å; S110-R184 PolarHBondContact OG-NH1 3.4Å; F153-R184 HydrophobicContact CD1-CG 4.45Å; F153-R184 HydrophobicContact CE1-CG 4.12Å; R184-Y187 WeakPolarHBondContact O-CB 3.47Å; R184-Y187 PolarHBondContact O-N 3.2Å; R184-H188 PolarHBondContact O-CD2 3.07Å; R184-H188 PolarHBondContact O-N 3.2Å
185E78.5Confident80.5Confident94 Ų9479.3 Ų79.344%0.43940%0.4SS..Hα-helixtrans-64.4-47.5175.7-60.9-171.9126.300112.6H108 S183 Y187 H188 A189H108-E185 IonicContact CE1-OE1 3.78Å; H108-E185 PolarHBondContact CE1-OE1 2.82Å; H108-E185 IonicContact CE1-OE2 2.81Å; H108-E185 PolarHBondContact CE1-OE2 3.17Å; H108-E185 IonicContact ND1-OE1 2.69Å; H108-E185 PolarHBondContact ND1-OE1 3.41Å; H108-E185 IonicContact ND1-OE2 3.39Å; H108-E185 PolarHBondContact ND1-OE2 3.44Å; H108-E185 IonicContact NE2-OE1 2.79Å; S183-E185 PolarHBondContact O-N 3.05Å; E185-Y187 PolarHBondContact O-N 2.78Å; E185-H188 PolarHBondContact O-N 3.14Å; E185-H188 VanDerWaalsContact O-N 3.16Å; E185-A189 WeakPolarHBondContact O-CB 3.42Å; E185-A189 PolarHBondContact O-N 3.43Å
186A80.9Confident81.4Confident43 Ų4381.3 Ų81.336%0.35541%0.409SS..Hα-helixtrans-61.5-36.7177.200000111.4S183 K190S183-A186 PolarHBondContact O-N 3Å; S183-A186 VanDerWaalsContact OG-CB 3.27Å; S183-A186 WeakPolarHBondContact OG-CB 3.46Å; S183-A186 PolarHBondContact OG-N 3.21Å; A186-K190 VanDerWaalsContact O-CB 3.29Å; A186-K190 WeakPolarHBondContact O-CB 3.18Å; A186-K190 PolarHBondContact O-N 3.49Å
187Y82.1Confident82Confident22 Ų2278.4 Ų78.49%0.08639%0.393CS..Hα-helixtrans-61.9-50.3172.8173.6-97.6000112.2Y112 R141 F153 S183 R184 E185 K190 K191Y112-Y187 AromaticContact CD1-CD2 3.71Å; Y112-Y187 HydrophobicContact CD1-CD2 3.71Å; Y112-Y187 HydrophobicContact CD1-CE2 4.35Å; Y112-Y187 HydrophobicContact CD1-CG 4.28Å; Y112-Y187 HydrophobicContact CD2-CD1 4.47Å; Y112-Y187 AromaticContact CD2-CD2 3.87Å; Y112-Y187 HydrophobicContact CD2-CD2 3.87Å; Y112-Y187 HydrophobicContact CD2-CE2 4.07Å; Y112-Y187 HydrophobicContact CD2-CG 4.09Å; Y112-Y187 AromaticContact CE1-CD2 3.69Å; Y112-Y187 HydrophobicContact CE1-CD2 3.69Å; Y112-Y187 AromaticContact CE1-CE2 3.93Å; Y112-Y187 HydrophobicContact CE1-CE2 3.93Å; Y112-Y187 AromaticContact CE2-CD2 3.85Å; Y112-Y187 HydrophobicContact CE2-CD2 3.85Å; Y112-Y187 AromaticContact CE2-CE2 3.61Å; Y112-Y187 HydrophobicContact CE2-CE2 3.61Å; Y112-Y187 HydrophobicContact CE2-CG 4.46Å; Y112-Y187 AromaticContact CG-CD2 3.77Å; Y112-Y187 HydrophobicContact CG-CD2 3.77Å; Y112-Y187 HydrophobicContact CG-CE2 4.39Å; Y112-Y187 AromaticContact CG-CG 3.96Å; Y112-Y187 HydrophobicContact CG-CG 3.96Å; Y112-Y187 AromaticContact CZ-CD2 3.75Å; Y112-Y187 AromaticContact CZ-CE2 3.52Å; R141-Y187 VanDerWaalsContact CZ-OH 3.23Å; R141-Y187 PolarHBondContact NH1-OH 3.46Å; R141-Y187 PolarHBondContact NH2-OH 3.26Å; F153-Y187 HydrophobicContact CE1-CD1 4.01Å; F153-Y187 HydrophobicContact CE1-CE1 4.39Å; F153-Y187 AromaticContact CZ-CD1 3.79Å; F153-Y187 HydrophobicContact CZ-CD1 3.79Å; F153-Y187 AromaticContact CZ-CE1 3.71Å; F153-Y187 HydrophobicContact CZ-CE1 3.71Å; S183-Y187 PolarHBondContact O-N 3.04Å; R184-Y187 WeakPolarHBondContact O-CB 3.47Å; R184-Y187 PolarHBondContact O-N 3.2Å; E185-Y187 PolarHBondContact O-N 2.78Å; Y187-K190 PolarHBondContact O-N 3.32Å; Y187-K191 HydrophobicContact CD2-CG 4.5Å; Y187-K191 HydrophobicContact CE1-CG 4.2Å; Y187-K191 HydrophobicContact CE2-CG 3.93Å; Y187-K191 WeakPolarHBondContact O-CB 3.11Å; Y187-K191 PolarHBondContact O-N 2.93Å
188H76.9Confident82.3Confident79 Ų7982.5 Ų82.537%0.36640%0.404SS..Hα-helixtrans-65.4-39.7180-78.4-72.3000112.1R184 E185 K191 A192R184-H188 PolarHBondContact O-CD2 3.07Å; R184-H188 PolarHBondContact O-N 3.2Å; E185-H188 PolarHBondContact O-N 3.14Å; E185-H188 VanDerWaalsContact O-N 3.16Å; H188-K191 PolarHBondContact O-N 3.14Å; H188-A192 WeakPolarHBondContact O-CB 3.36Å; H188-A192 PolarHBondContact O-N 3.35Å
189A82.6Confident82.8Confident54 Ų5481.1 Ų81.145%0.44640%0.396SS..Hα-helixtrans-61.2-50.7175.300000111.4E185 K191 A192 E193E185-A189 WeakPolarHBondContact O-CB 3.42Å; E185-A189 PolarHBondContact O-N 3.43Å; A189-K191 VanDerWaalsContact C-N 3.29Å; A189-K191 PolarHBondContact O-N 2.99Å; A189-A192 PolarHBondContact O-N 3.13Å; A189-A192 VanDerWaalsContact O-N 3.15Å; A189-E193 WeakPolarHBondContact O-CG 3.49Å; A189-E193 PolarHBondContact O-N 3.46Å
190K81.8Confident83Confident124 Ų12483.3 Ų83.354%0.53942%0.415SS..Hα-helixtrans-59.2-40.4177.5-172.4174.6-176.8174.10111.9A186 Y187 E194A186-K190 VanDerWaalsContact O-CB 3.29Å; A186-K190 WeakPolarHBondContact O-CB 3.18Å; A186-K190 PolarHBondContact O-N 3.49Å; Y187-K190 PolarHBondContact O-N 3.32Å; K190-E194 WeakPolarHBondContact O-CB 3.19Å; K190-E194 PolarHBondContact O-N 3.48Å
191K82.8Confident83.3Confident71 Ų7184.4 Ų84.431%0.30942%0.419SS..Hα-helixtrans-72.2-34177.1-81.5-69.7172.1-161.10113.5Y187 H188 A189 E194 R195Y187-K191 HydrophobicContact CD2-CG 4.5Å; Y187-K191 HydrophobicContact CE1-CG 4.2Å; Y187-K191 HydrophobicContact CE2-CG 3.93Å; Y187-K191 WeakPolarHBondContact O-CB 3.11Å; Y187-K191 PolarHBondContact O-N 2.93Å; H188-K191 PolarHBondContact O-N 3.14Å; A189-K191 VanDerWaalsContact C-N 3.29Å; A189-K191 PolarHBondContact O-N 2.99Å; K191-E194 WeakPolarHBondContact CD-OE2 3.36Å; K191-E194 WeakPolarHBondContact CE-OE2 3.31Å; K191-E194 IonicContact NZ-OE1 2.86Å; K191-E194 PolarHBondContact NZ-OE1 2.92Å; K191-E194 IonicContact NZ-OE2 2.7Å; K191-E194 PolarHBondContact NZ-OE2 2.91Å; K191-R195 WeakPolarHBondContact O-CB 3.39Å; K191-R195 VanDerWaalsContact O-CG 3.3Å; K191-R195 WeakPolarHBondContact O-CG 3.38Å; K191-R195 PolarHBondContact O-N 3.41Å
192A80.1Confident83.4Confident50 Ų5085.7 Ų85.741%0.41343%0.427SS..Hα-helixtrans-65-42.7173.700000111.1H188 A189 R195 K196H188-A192 WeakPolarHBondContact O-CB 3.36Å; H188-A192 PolarHBondContact O-N 3.35Å; A189-A192 PolarHBondContact O-N 3.13Å; A189-A192 VanDerWaalsContact O-N 3.15Å; A192-R195 PolarHBondContact O-N 3.38Å; A192-K196 WeakPolarHBondContact O-CB 3.47Å; A192-K196 PolarHBondContact O-N 3.39Å
193E80.1Confident83.7Confident127 Ų12791.3 Ų91.359%0.59345%0.449SS*.Hα-helixtrans-63.6-46.4174.4-72.1-177.1167.600112.2A189 R195 K196 N197A189-E193 WeakPolarHBondContact O-CG 3.49Å; A189-E193 PolarHBondContact O-N 3.46Å; E193-R195 VanDerWaalsContact C-N 3.33Å; E193-R195 PolarHBondContact O-N 2.85Å; E193-K196 WeakPolarHBondContact O-CB 3.32Å; E193-K196 PolarHBondContact O-N 2.96Å; E193-K196 VanDerWaalsContact O-N 3.13Å; E193-N197 WeakPolarHBondContact O-CB 3.29Å; E193-N197 VanDerWaalsContact O-CG 3.28Å; E193-N197 PolarHBondContact O-N 2.72Å
194E84.5Confident83.8Confident100 Ų10091.8 Ų91.847%0.46746%0.455SS..Hα-helixtrans-58.6-44.8176.6-168.6-177.5152.700111.3K190 K191 K196 N197 Y198K190-E194 WeakPolarHBondContact O-CB 3.19Å; K190-E194 PolarHBondContact O-N 3.48Å; K191-E194 WeakPolarHBondContact CD-OE2 3.36Å; K191-E194 WeakPolarHBondContact CE-OE2 3.31Å; K191-E194 IonicContact NZ-OE1 2.86Å; K191-E194 PolarHBondContact NZ-OE1 2.92Å; K191-E194 IonicContact NZ-OE2 2.7Å; K191-E194 PolarHBondContact NZ-OE2 2.91Å; E194-K196 PolarHBondContact O-N 2.97Å; E194-N197 PolarHBondContact O-N 2.94Å; E194-Y198 WeakPolarHBondContact O-CB 3.43Å; E194-Y198 PolarHBondContact O-N 3.13Å
195R83.3Confident84.4Confident128 Ų12895.1 Ų95.148%0.48347%0.471SS..Hα-helixtrans-63.6-39.4174.8-74.6-171.5-69.1-166.14.5112.3K191 A192 E193 K199K191-R195 WeakPolarHBondContact O-CB 3.39Å; K191-R195 VanDerWaalsContact O-CG 3.3Å; K191-R195 WeakPolarHBondContact O-CG 3.38Å; K191-R195 PolarHBondContact O-N 3.41Å; A192-R195 PolarHBondContact O-N 3.38Å; E193-R195 VanDerWaalsContact C-N 3.33Å; E193-R195 PolarHBondContact O-N 2.85Å; R195-K199 WeakPolarHBondContact O-CB 3.31Å; R195-K199 VanDerWaalsContact O-CG 3.3Å; R195-K199 WeakPolarHBondContact O-CG 3.4Å; R195-K199 PolarHBondContact O-N 2.97Å
196K85.4Confident85Confident154 Ų15493.4 Ų93.467%0.6747%0.473SS*.Hα-helixtrans-65.7-42.9177.6-173.9179.7178.5-1770111.3A192 E193 E194 K199 A200A192-K196 WeakPolarHBondContact O-CB 3.47Å; A192-K196 PolarHBondContact O-N 3.39Å; E193-K196 WeakPolarHBondContact O-CB 3.32Å; E193-K196 PolarHBondContact O-N 2.96Å; E193-K196 VanDerWaalsContact O-N 3.13Å; E194-K196 PolarHBondContact O-N 2.97Å; K196-K199 PolarHBondContact O-N 3.31Å; K196-A200 WeakPolarHBondContact O-CB 3.41Å; K196-A200 PolarHBondContact O-N 2.74Å
197N84.1Confident85.5Confident106 Ų10697.9 Ų97.957%0.56748%0.484SS*.Hα-helixtrans-66.5-45177.8-69.4-10.6000111E193 E194 K199 A200 E201E193-N197 WeakPolarHBondContact O-CB 3.29Å; E193-N197 VanDerWaalsContact O-CG 3.28Å; E193-N197 PolarHBondContact O-N 2.72Å; E194-N197 PolarHBondContact O-N 2.94Å; N197-K199 PolarHBondContact O-N 2.74Å; N197-A200 PolarHBondContact O-N 3.15Å; N197-A200 VanDerWaalsContact O-N 3.14Å; N197-E201 WeakPolarHBondContact O-CB 3.38Å; N197-E201 PolarHBondContact O-N 2.85Å
198Y85.2Confident85.8Confident156 Ų156103.1 Ų103.161%0.61251%0.509SS*.Hα-helixtrans-60.2-44.1175.9-176.4-97.6000112.2E194 A200 E201 T202E194-Y198 WeakPolarHBondContact O-CB 3.43Å; E194-Y198 PolarHBondContact O-N 3.13Å; Y198-A200 VanDerWaalsContact C-N 3.34Å; Y198-A200 PolarHBondContact O-N 3.37Å; Y198-E201 PolarHBondContact O-N 3.25Å; Y198-T202 HydrophobicContact CD1-CG2 4.13Å; Y198-T202 HydrophobicContact CE1-CG2 3.73Å; Y198-T202 HydrophobicContact CE2-CG2 4.16Å; Y198-T202 WeakPolarHBondContact O-CB 3.46Å; Y198-T202 VanDerWaalsContact O-CG2 3.31Å; Y198-T202 WeakPolarHBondContact O-CG2 3.47Å; Y198-T202 PolarHBondContact O-N 3.24Å; Y198-T202 PolarHBondContact O-OG1 3.45Å
199K88.4Confident86.5Confident147 Ų147105.1 Ų105.164%0.63952%0.519SS*.Hα-helixtrans-63.4-37.5174.3-74.6179.5-178.2-175.90112.4R195 K196 N197 T202 K203R195-K199 WeakPolarHBondContact O-CB 3.31Å; R195-K199 VanDerWaalsContact O-CG 3.3Å; R195-K199 WeakPolarHBondContact O-CG 3.4Å; R195-K199 PolarHBondContact O-N 2.97Å; K196-K199 PolarHBondContact O-N 3.31Å; N197-K199 PolarHBondContact O-N 2.74Å; K199-T202 WeakPolarHBondContact CA-OG1 3.46Å; K199-T202 PolarHBondContact O-OG1 2.79Å; K199-T202 VanDerWaalsContact O-OG1 3.07Å; K199-K203 VanDerWaalsContact O-CB 3.23Å; K199-K203 WeakPolarHBondContact O-CB 3.38Å; K199-K203 PolarHBondContact O-N 2.85Å; K199-K203 VanDerWaalsContact O-N 3.14Å
200A87.1Confident86.9Confident57 Ų57109.7 Ų109.747%0.47153%0.529SS..Hα-helixtrans-68.9-43176.800000111.7K196 N197 Y198 K203 A204K196-A200 WeakPolarHBondContact O-CB 3.41Å; K196-A200 PolarHBondContact O-N 2.74Å; N197-A200 PolarHBondContact O-N 3.15Å; N197-A200 VanDerWaalsContact O-N 3.14Å; Y198-A200 VanDerWaalsContact C-N 3.34Å; Y198-A200 PolarHBondContact O-N 3.37Å; A200-K203 PolarHBondContact O-N 3.27Å; A200-A204 WeakPolarHBondContact O-CB 3.44Å; A200-A204 PolarHBondContact O-N 3.24Å
201E88.8Confident87.2Confident100 Ų100108.5 Ų108.547%0.46753%0.525SS..Hα-helixtrans-67.4-46.3-179.9-167.6-171.1153.900111.7N197 Y198 K203 A204 K205N197-E201 WeakPolarHBondContact O-CB 3.38Å; N197-E201 PolarHBondContact O-N 2.85Å; Y198-E201 PolarHBondContact O-N 3.25Å; E201-K203 VanDerWaalsContact C-N 3.34Å; E201-K203 PolarHBondContact O-N 3.33Å; E201-A204 PolarHBondContact O-N 3.03Å; E201-K205 HydrophobicContact CG-CD 4.34Å; E201-K205 WeakPolarHBondContact O-CB 3.21Å; E201-K205 WeakPolarHBondContact O-CG 3.44Å; E201-K205 PolarHBondContact O-N 2.78Å; E201-K205 VanDerWaalsContact OE1-CE 3.28Å; E201-K205 WeakPolarHBondContact OE1-CE 3.41Å; E201-K205 IonicContact OE1-NZ 3.79Å; E201-K205 PolarHBondContact OE1-NZ 3.43Å
202T88.3Confident87.4Confident58 Ų58110 Ų11036%0.35653%0.533SS..Hα-helixtrans-60.7-42.3175.448.40000111.7Y198 K199 K205 A206Y198-T202 HydrophobicContact CD1-CG2 4.13Å; Y198-T202 HydrophobicContact CE1-CG2 3.73Å; Y198-T202 HydrophobicContact CE2-CG2 4.16Å; Y198-T202 WeakPolarHBondContact O-CB 3.46Å; Y198-T202 VanDerWaalsContact O-CG2 3.31Å; Y198-T202 WeakPolarHBondContact O-CG2 3.47Å; Y198-T202 PolarHBondContact O-N 3.24Å; Y198-T202 PolarHBondContact O-OG1 3.45Å; K199-T202 WeakPolarHBondContact CA-OG1 3.46Å; K199-T202 PolarHBondContact O-OG1 2.79Å; K199-T202 VanDerWaalsContact O-OG1 3.07Å; T202-K205 PolarHBondContact O-N 3.48Å; T202-A206 WeakPolarHBondContact O-CB 3.43Å; T202-A206 PolarHBondContact O-N 3.15Å
203K91.2Very high87.7Confident164 Ų164113 Ų11371%0.71354%0.539SS*.Hα-helixtrans-65.7-37.5174.7-171.7175.7-177.5177.40112.4K199 A200 E201 K207K199-K203 VanDerWaalsContact O-CB 3.23Å; K199-K203 WeakPolarHBondContact O-CB 3.38Å; K199-K203 PolarHBondContact O-N 2.85Å; K199-K203 VanDerWaalsContact O-N 3.14Å; A200-K203 PolarHBondContact O-N 3.27Å; E201-K203 VanDerWaalsContact C-N 3.34Å; E201-K203 PolarHBondContact O-N 3.33Å; K203-K207 WeakPolarHBondContact O-CB 3.36Å; K203-K207 PolarHBondContact O-N 3.3Å
204A89.8Confident88Confident48 Ų48112.2 Ų112.240%0.39754%0.535SS..Hα-helixtrans-66.2-45.9175.800000111.3A200 E201 K207 Q208A200-A204 WeakPolarHBondContact O-CB 3.44Å; A200-A204 PolarHBondContact O-N 3.24Å; E201-A204 PolarHBondContact O-N 3.03Å; A204-K207 PolarHBondContact O-N 3.38Å; A204-Q208 WeakPolarHBondContact O-CG 3.39Å; A204-Q208 PolarHBondContact O-N 3.5Å
205K90.5Very high87.9Confident116 Ų116113.4 Ų113.450%0.50454%0.539SS..Hα-helixtrans-59.2-48.7175.1-76.8173.7169.5169.30111.8E201 T202 K207 Q208 E209E201-K205 HydrophobicContact CG-CD 4.34Å; E201-K205 WeakPolarHBondContact O-CB 3.21Å; E201-K205 WeakPolarHBondContact O-CG 3.44Å; E201-K205 PolarHBondContact O-N 2.78Å; E201-K205 VanDerWaalsContact OE1-CE 3.28Å; E201-K205 WeakPolarHBondContact OE1-CE 3.41Å; E201-K205 IonicContact OE1-NZ 3.79Å; E201-K205 PolarHBondContact OE1-NZ 3.43Å; T202-K205 PolarHBondContact O-N 3.48Å; K205-K207 VanDerWaalsContact C-N 3.3Å; K205-K207 PolarHBondContact O-N 3.26Å; K205-Q208 PolarHBondContact O-N 2.93Å; K205-Q208 VanDerWaalsContact O-N 3.16Å; K205-E209 WeakPolarHBondContact O-CB 3.43Å; K205-E209 PolarHBondContact O-N 2.91Å
206A91.1Very high87.8Confident57 Ų57111.1 Ų111.147%0.47154%0.536SS..Hα-helixtrans-61.3-36.9176.700000112.7T202 K210T202-A206 WeakPolarHBondContact O-CB 3.43Å; T202-A206 PolarHBondContact O-N 3.15Å; A206-K210 WeakPolarHBondContact O-CB 3.32Å; A206-K210 PolarHBondContact O-N 2.87Å
207K91.8Very high87.8Confident138 Ų138106.5 Ų106.560%0.653%0.527SS*.Hα-helixtrans-68.1-41.7175.3-173.2-179.1177.2-173.30111.7K203 A204 K205 Q211K203-K207 WeakPolarHBondContact O-CB 3.36Å; K203-K207 PolarHBondContact O-N 3.3Å; A204-K207 PolarHBondContact O-N 3.38Å; K205-K207 VanDerWaalsContact C-N 3.3Å; K205-K207 PolarHBondContact O-N 3.26Å; K207-Q211 WeakPolarHBondContact O-CB 3.46Å; K207-Q211 WeakPolarHBondContact O-CG 3.4Å; K207-Q211 PolarHBondContact O-N 2.76Å
208Q87.8Confident87.7Confident131 Ų131106.1 Ų106.161%0.61252%0.521SS*.Hα-helixtrans-64.1-45176.3-76.4179.4-14.800111.3A204 K205 K210 Q211 Q212A204-Q208 WeakPolarHBondContact O-CG 3.39Å; A204-Q208 PolarHBondContact O-N 3.5Å; K205-Q208 PolarHBondContact O-N 2.93Å; K205-Q208 VanDerWaalsContact O-N 3.16Å; Q208-K210 PolarHBondContact O-N 3.44Å; Q208-Q211 PolarHBondContact O-N 2.92Å; Q208-Q212 WeakPolarHBondContact O-CB 3.47Å; Q208-Q212 PolarHBondContact O-N 3.39Å
209E91.5Very high87.4Confident122 Ų122105.2 Ų105.257%0.5752%0.523SS*.Hα-helixtrans-61.8-44.6178.1-169.617917700111.6K205 Q211 Q212 Q213K205-E209 WeakPolarHBondContact O-CB 3.43Å; K205-E209 PolarHBondContact O-N 2.91Å; E209-Q211 PolarHBondContact O-N 2.84Å; E209-Q212 PolarHBondContact O-N 3.18Å; E209-Q213 WeakPolarHBondContact O-CG 3.28Å; E209-Q213 PolarHBondContact O-N 3.17Å
210K91.2Very high86.9Confident149 Ų149105.5 Ų105.565%0.64852%0.524SS*.Hα-helixtrans-62.7-40.1175.3-171.6174.6-178.2175.90112.5A206 Q208 Q214A206-K210 WeakPolarHBondContact O-CB 3.32Å; A206-K210 PolarHBondContact O-N 2.87Å; Q208-K210 PolarHBondContact O-N 3.44Å; K210-Q214 WeakPolarHBondContact O-CB 3.42Å; K210-Q214 PolarHBondContact O-N 3.46Å
211Q87.5Confident86.5Confident99 Ų99108.8 Ų108.846%0.46353%0.529SS..Hα-helixtrans-66.1-39.2175.5-77.4-179.4-10.700111.9K207 Q208 E209 Q214 K215K207-Q211 WeakPolarHBondContact O-CB 3.46Å; K207-Q211 WeakPolarHBondContact O-CG 3.4Å; K207-Q211 PolarHBondContact O-N 2.76Å; Q208-Q211 PolarHBondContact O-N 2.92Å; E209-Q211 PolarHBondContact O-N 2.84Å; Q211-Q214 PolarHBondContact O-N 2.82Å; Q211-K215 WeakPolarHBondContact O-CG 3.36Å; Q211-K215 PolarHBondContact O-N 3.49Å
212Q87.5Confident85.7Confident102 Ų102105.5 Ų105.548%0.47751%0.514SS..Hα-helixtrans-67.4-43.5177.1-168.963.535.400111.3Q208 E209 Q214 K215 N216Q208-Q212 WeakPolarHBondContact O-CB 3.47Å; Q208-Q212 PolarHBondContact O-N 3.39Å; E209-Q212 PolarHBondContact O-N 3.18Å; Q212-Q214 VanDerWaalsContact C-N 3.3Å; Q212-Q214 PolarHBondContact O-N 3.27Å; Q212-K215 PolarHBondContact O-N 2.8Å; Q212-N216 PolarHBondContact NE2-OD1 2.9Å; Q212-N216 WeakPolarHBondContact O-CB 3.43Å; Q212-N216 PolarHBondContact O-N 2.98Å; Q212-N216 PolarHBondContact O-OD1 3.03Å
213Q87.5Confident85Confident115 Ų115104 Ų10454%0.53751%0.511SS..Hα-helixtrans-59.9-41.4174.7-74176.92.900111.7E209 N216 A217E209-Q213 WeakPolarHBondContact O-CG 3.28Å; E209-Q213 PolarHBondContact O-N 3.17Å; Q213-N216 PolarHBondContact O-N 3.37Å; Q213-A217 WeakPolarHBondContact O-CB 3.37Å; Q213-A217 PolarHBondContact O-N 3.01Å
214Q85.1Confident84.1Confident109 Ų109100.9 Ų100.951%0.50950%0.501SS..Hα-helixtrans-64.8-45.9176.4-173.3176.8-900111.8K210 Q211 Q212 N216 A217 E218K210-Q214 WeakPolarHBondContact O-CB 3.42Å; K210-Q214 PolarHBondContact O-N 3.46Å; Q211-Q214 PolarHBondContact O-N 2.82Å; Q212-Q214 VanDerWaalsContact C-N 3.3Å; Q212-Q214 PolarHBondContact O-N 3.27Å; Q214-N216 PolarHBondContact O-N 3.34Å; Q214-A217 PolarHBondContact O-N 2.73Å; Q214-E218 HydrophobicContact CG-CG 4.5Å; Q214-E218 WeakPolarHBondContact CG-OE1 3.36Å; Q214-E218 PolarHBondContact NE2-OE1 2.93Å; Q214-E218 WeakPolarHBondContact O-CG 3.41Å; Q214-E218 PolarHBondContact O-N 3.18Å
215K83.9Confident83.1Confident126 Ų126101.4 Ų101.455%0.54850%0.497SS..Hα-helixtrans-60.5-43.8175.9-75.4-179.9178.5-174.10112.3Q211 Q212 A217 E218 E219Q211-K215 WeakPolarHBondContact O-CG 3.36Å; Q211-K215 PolarHBondContact O-N 3.49Å; Q212-K215 PolarHBondContact O-N 2.8Å; K215-A217 VanDerWaalsContact C-N 3.3Å; K215-A217 PolarHBondContact O-N 2.8Å; K215-E218 PolarHBondContact O-N 3.44Å; K215-E219 VanDerWaalsContact O-CB 3.31Å; K215-E219 WeakPolarHBondContact O-CB 3.41Å; K215-E219 PolarHBondContact O-N 3.01Å
216N80.9Confident81.8Confident80 Ų8096.8 Ų96.843%0.42848%0.478SS..Hα-helixtrans-65-36.2178-68.55.9000111.4Q212 Q213 Q214 K220Q212-N216 PolarHBondContact NE2-OD1 2.9Å; Q212-N216 WeakPolarHBondContact O-CB 3.43Å; Q212-N216 PolarHBondContact O-N 2.98Å; Q212-N216 PolarHBondContact O-OD1 3.03Å; Q213-N216 PolarHBondContact O-N 3.37Å; Q214-N216 PolarHBondContact O-N 3.34Å; N216-K220 VanDerWaalsContact O-CB 3.25Å; N216-K220 WeakPolarHBondContact O-CB 3.45Å; N216-K220 PolarHBondContact O-N 3.23Å
217A85.1Confident80.5Confident57 Ų5798 Ų9847%0.47148%0.477SS..Hα-helixtrans-67.8-45175.200000111.6Q213 Q214 K215 K220 E221Q213-A217 WeakPolarHBondContact O-CB 3.37Å; Q213-A217 PolarHBondContact O-N 3.01Å; Q214-A217 PolarHBondContact O-N 2.73Å; K215-A217 VanDerWaalsContact C-N 3.3Å; K215-A217 PolarHBondContact O-N 2.8Å; A217-K220 PolarHBondContact O-N 3.4Å; A217-E221 WeakPolarHBondContact O-CB 3.25Å; A217-E221 PolarHBondContact O-N 2.97Å
218E81.4Confident79.1Confident97 Ų9799 Ų9945%0.45348%0.483SS..Hα-helixtrans-62.1-43.3175.5-72.6170.7-17200111.3Q214 K215 E221 M222Q214-E218 HydrophobicContact CG-CG 4.5Å; Q214-E218 WeakPolarHBondContact CG-OE1 3.36Å; Q214-E218 PolarHBondContact NE2-OE1 2.93Å; Q214-E218 WeakPolarHBondContact O-CG 3.41Å; Q214-E218 PolarHBondContact O-N 3.18Å; K215-E218 PolarHBondContact O-N 3.44Å; E218-E221 PolarHBondContact O-N 3.23Å; E218-M222 WeakPolarHBondContact O-CB 3.45Å; E218-M222 WeakPolarHBondContact O-CG 3.39Å; E218-M222 PolarHBondContact O-N 3.16Å
219E78.5Confident77.8Confident137 Ų13794.9 Ų94.964%0.6446%0.464SS*.Hα-helixtrans-65.7-38.7176.8-173.6171.6-164.200112K215 M222 G223K215-E219 VanDerWaalsContact O-CB 3.31Å; K215-E219 WeakPolarHBondContact O-CB 3.41Å; K215-E219 PolarHBondContact O-N 3.01Å; E219-M222 PolarHBondContact O-N 3.43Å; E219-G223 PolarHBondContact O-N 3.04Å
220K78.5Confident76.2Confident153 Ų15392.2 Ų92.267%0.66546%0.456SS*.Hα-helixtrans-67.2-42.2174.7-173.1176.9179.7179.90112N216 A217 M222 G223 L224N216-K220 VanDerWaalsContact O-CB 3.25Å; N216-K220 WeakPolarHBondContact O-CB 3.45Å; N216-K220 PolarHBondContact O-N 3.23Å; A217-K220 PolarHBondContact O-N 3.4Å; K220-M222 VanDerWaalsContact C-N 3.35Å; K220-G223 PolarHBondContact O-N 3.48Å; K220-L224 WeakPolarHBondContact O-CG 3.26Å; K220-L224 PolarHBondContact O-N 3.05Å
221E78.1Confident74.7Confident126 Ų12685.7 Ų85.759%0.58943%0.431SS*.Hα-helixtrans-63.4-42.6175.2-169.9179.5176.300110.9A217 E218 L224 L225A217-E221 WeakPolarHBondContact O-CB 3.25Å; A217-E221 PolarHBondContact O-N 2.97Å; E218-E221 PolarHBondContact O-N 3.23Å; E221-L224 PolarHBondContact O-N 2.86Å; E221-L225 WeakPolarHBondContact O-CG 3.36Å; E221-L225 PolarHBondContact O-N 3.46Å
222M72.8Confident73.6Confident31 Ų3181.8 Ų81.815%0.15342%0.415CS..Hα-helixtrans-62.2-41.2173.1-74.7-68.5-61.600112.5E218 E219 K220 L225 L226 I318 Q322E218-M222 WeakPolarHBondContact O-CB 3.45Å; E218-M222 WeakPolarHBondContact O-CG 3.39Å; E218-M222 PolarHBondContact O-N 3.16Å; E219-M222 PolarHBondContact O-N 3.43Å; K220-M222 VanDerWaalsContact C-N 3.35Å; M222-L225 PolarHBondContact O-N 2.9Å; M222-L225 HydrophobicContact SD-CD1 4.4Å; M222-L226 WeakPolarHBondContact O-CD1 3.47Å; M222-L226 VanDerWaalsContact O-CG 3.24Å; M222-L226 WeakPolarHBondContact O-CG 3.39Å; M222-L226 PolarHBondContact O-N 2.66Å; M222-I318 HydrophobicContact CE-CB 4.18Å; M222-I318 HydrophobicContact CE-CG2 3.49Å; M222-I318 VanDerWaalsContact CE-CG2 3.49Å; M222-I318 HydrophobicContact SD-CG2 4.01Å; M222-Q322 PolarHBondContact SD-NE2 3.18Å
223G74.5Confident72.5Confident27 Ų2776.9 Ų76.928%0.27839%0.392SS..Hα-helixtrans-60.5-44.1174.100000112.5E219 K220 L226 D227E219-G223 PolarHBondContact O-N 3.04Å; K220-G223 PolarHBondContact O-N 3.48Å; G223-L226 PolarHBondContact O-N 3.5Å; G223-D227 PolarHBondContact O-N 3.14Å
224L71.6Confident71.7Confident98 Ų9871.4 Ų71.451%0.51337%0.366SS..Hα-helixtrans-63.7-42.6176-69.9169.5000112.2K220 E221 L226 D227 E228K220-L224 WeakPolarHBondContact O-CG 3.26Å; K220-L224 PolarHBondContact O-N 3.05Å; E221-L224 PolarHBondContact O-N 2.86Å; L224-L226 VanDerWaalsContact C-N 3.29Å; L224-L226 PolarHBondContact O-N 3.47Å; L224-D227 PolarHBondContact O-N 2.86Å; L224-E228 PolarHBondContact O-N 2.88Å
225L67.9Low71.2Confident59 Ų5969 Ų6931%0.30935%0.354SS..Hα-helixtrans-62.1-36.4175.6-74.2172000112.8E221 M222 Q229E221-L225 WeakPolarHBondContact O-CG 3.36Å; E221-L225 PolarHBondContact O-N 3.46Å; M222-L225 PolarHBondContact O-N 2.9Å; M222-L225 HydrophobicContact SD-CD1 4.4Å; L225-Q229 PolarHBondContact O-N 3.33Å
226L64.3Low70.7Confident20 Ų2063.1 Ų63.111%0.10533%0.328CS..Hα-helixtrans-68.6-40.4176.2-73.2163.4000111.4M222 G223 L224 Q229 T230 L314 K315 I318M222-L226 WeakPolarHBondContact O-CD1 3.47Å; M222-L226 VanDerWaalsContact O-CG 3.24Å; M222-L226 WeakPolarHBondContact O-CG 3.39Å; M222-L226 PolarHBondContact O-N 2.66Å; G223-L226 PolarHBondContact O-N 3.5Å; L224-L226 VanDerWaalsContact C-N 3.29Å; L224-L226 PolarHBondContact O-N 3.47Å; L226-Q229 PolarHBondContact O-N 3.23Å; L226-T230 WeakPolarHBondContact O-CG2 3.39Å; L226-L314 HydrophobicContact CD2-CB 3.81Å; L226-L314 HydrophobicContact CD2-CD2 3.75Å; L226-L314 HydrophobicContact CD2-CG 3.72Å; L226-K315 HydrophobicContact CD1-CB 4.27Å; L226-K315 HydrophobicContact CD1-CG 4.49Å; L226-K315 HydrophobicContact CD2-CB 4.05Å; L226-I318 HydrophobicContact CD2-CD1 3.89Å; L226-I318 HydrophobicContact CG-CD1 4.41Å
227D62.7Low70.2Confident83 Ų8361.1 Ų61.144%0.44432%0.321SS..Hα-helixtrans-68.6-39.6178.4-76.4-19.9000112.2G223 L224 Q229 T230 K311G223-D227 PolarHBondContact O-N 3.14Å; L224-D227 PolarHBondContact O-N 2.86Å; D227-Q229 VanDerWaalsContact C-N 3.26Å; D227-Q229 PolarHBondContact O-N 3.34Å; D227-T230 PolarHBondContact O-N 2.89Å; D227-T230 PolarHBondContact O-OG1 3.22Å; D227-K311 WeakPolarHBondContact OD1-CE 3.44Å; D227-K311 IonicContact OD1-NZ 2.89Å; D227-K311 PolarHBondContact OD1-NZ 3.43Å
228E62.5Low69.2Low158 Ų15859.2 Ų59.274%0.73831%0.307SS*.Hα-helixtrans-67-21.2177.9-76.3-177175.200114.2L224L224-E228 PolarHBondContact O-N 2.88Å
229Q60.4Low68Low45 Ų4559.5 Ų59.521%0.2131%0.308CS..THydrogen-bonded Turntrans-106.713.5-177.6-74.9179.422.600113.8L225 L226 D227 C232 L314L225-Q229 PolarHBondContact O-N 3.33Å; L226-Q229 PolarHBondContact O-N 3.23Å; D227-Q229 VanDerWaalsContact C-N 3.26Å; D227-Q229 PolarHBondContact O-N 3.34Å; Q229-C232 WeakPolarHBondContact O-CB 3.18Å; Q229-L314 HydrophobicContact CB-CD2 3.61Å
230T58.3Low67Low65 Ų6553.1 Ų53.140%0.39928%0.278SS..THydrogen-bonded Turntrans-65141.5172.751.80000111.5L226 D227 K311L226-T230 WeakPolarHBondContact O-CG2 3.39Å; D227-T230 PolarHBondContact O-N 2.89Å; D227-T230 PolarHBondContact O-OG1 3.22Å; T230-K311 HydrophobicContact CG2-CG 4.3Å
231G59.8Low65.8Low12 Ų1254.2 Ų54.212%0.12428%0.278CS..THydrogen-bonded Turntrans82.916.9-17600000115.4N277 A278 E310G231-N277 PolarHBondContact O-OD1 3.46Å; G231-A278 PolarHBondContact O-N 3.4Å; G231-E310 WeakPolarHBondContact CA-OE1 3.25Å; G231-E310 PolarHBondContact N-OE1 2.95Å; G231-E310 PolarHBondContact N-OE2 3.44Å
232C64.1Low64.8Low17 Ų1754 Ų5412%0.11528%0.281CS..  trans-114.2-0.6-174.3-61.40000114.2Q229 L273 F274 G276 A278 E310Q229-C232 WeakPolarHBondContact O-CB 3.18Å; C232-L273 HydrophobicContact CB-CD1 4.02Å; C232-L273 WeakPolarHBondContact O-CA 3.39Å; C232-F274 PolarHBondContact O-N 2.78Å; C232-G276 PolarHBondContact SG-O 3.29Å; C232-A278 VanDerWaalsContact C-CB 3.44Å; C232-E310 PolarHBondContact N-OE1 3.48Å
233L65.8Low64.2Low0 Ų052.7 Ų52.70%028%0.275CS..EExtended strand (participates in β ladder)trans-106.5132.8-177.7-76.7158.4000114.2T271 L272 L273 L305 E310 L314 I317L233-T271 HydrophobicContact CB-CG2 4.4Å; L233-T271 HydrophobicContact CD2-CG2 3.53Å; L233-L272 WeakPolarHBondContact CA-O 3.32Å; L233-L273 HydrophobicContact CD2-CB 4.17Å; L233-L273 HydrophobicContact CD2-CD1 3.87Å; L233-L273 HydrophobicContact CG-CD1 3.86Å; L233-L305 PolarHBondContact O-N 2.94Å; L233-E310 HydrophobicContact CB-CG 3.99Å; L233-E310 HydrophobicContact CD1-CG 3.53Å; L233-E310 HydrophobicContact CG-CG 4.25Å; L233-E310 PolarHBondContact N-OE1 2.88Å; L233-L314 HydrophobicContact CD1-CB 3.69Å; L233-L314 HydrophobicContact CD1-CD1 4.02Å; L233-L314 HydrophobicContact CD1-CG 4.36Å; L233-I317 HydrophobicContact CD2-CD1 3.86Å
234L69.7Low63.6Low0 Ų053.5 Ų53.50%028%0.276CS..EExtended strand (participates in β ladder)trans-122.7115.3174.7-172.469.2000109.8F252 T271 L272 F274 F282 W302 V304L234-F252 HydrophobicContact CD2-CE1 4.41Å; L234-F252 HydrophobicContact CD2-CZ 4.06Å; L234-T271 WeakPolarHBondContact O-CA 3.05Å; L234-L272 HydrophobicContact CB-CB 4.45Å; L234-L272 PolarHBondContact N-O 2.96Å; L234-L272 PolarHBondContact O-N 3.26Å; L234-F274 HydrophobicContact CB-CD2 4.42Å; L234-F274 HydrophobicContact CB-CE2 3.82Å; L234-F274 HydrophobicContact CD2-CE2 3.94Å; L234-F274 HydrophobicContact CD2-CZ 4.3Å; L234-F282 HydrophobicContact CD1-CB 4.17Å; L234-F282 HydrophobicContact CD1-CD2 4.01Å; L234-F282 HydrophobicContact CD1-CG 4.01Å; L234-F282 HydrophobicContact CD2-CB 4.26Å; L234-F282 HydrophobicContact CD2-CD2 3.86Å; L234-F282 HydrophobicContact CD2-CG 4.36Å; L234-W302 HydrophobicContact CD2-CD2 4.49Å; L234-W302 HydrophobicContact CD2-CE3 3.52Å; L234-W302 HydrophobicContact CD2-CZ3 3.95Å; L234-W302 HydrophobicContact CG-CE3 3.97Å; L234-V304 HydrophobicContact CD1-CB 4.48Å; L234-V304 HydrophobicContact CD1-CG2 3.77Å
235K75Confident63.2Low59 Ų5955.2 Ų55.226%0.25728%0.276SS..EExtended strand (participates in β ladder)trans-85.2140.5172.6-170.5178.1-179.8-174.20109.6E269 Q303 L305K235-E269 WeakPolarHBondContact CE-OE2 3.31Å; K235-E269 IonicContact NZ-OE2 2.77Å; K235-E269 PolarHBondContact NZ-OE2 3.42Å; K235-Q303 PolarHBondContact N-O 3.29Å; K235-Q303 PolarHBondContact O-N 3.4Å; K235-L305 HydrophobicContact CB-CD1 3.84Å; K235-L305 HydrophobicContact CB-CD2 4.38Å; K235-L305 HydrophobicContact CB-CG 3.9Å; K235-L305 HydrophobicContact CD-CD1 4.4Å
236F72.9Confident63.2Low1 Ų159.9 Ų59.90%0.00430%0.296CS..EExtended strand (participates in β ladder)trans-130.4145.9172.465-94.3000111L240 F248 F263 E269 G270 L272 V300 T301 W302F236-L240 HydrophobicContact CD2-CD1 3.57Å; F236-L240 HydrophobicContact CE2-CD1 3.34Å; F236-F248 HydrophobicContact CD1-CE1 4.24Å; F236-F248 HydrophobicContact CD2-CE1 4.08Å; F236-F248 HydrophobicContact CD2-CZ 4.1Å; F236-F248 HydrophobicContact CE1-CD1 4.44Å; F236-F248 AromaticContact CE1-CE1 3.91Å; F236-F248 HydrophobicContact CE1-CE1 3.91Å; F236-F248 HydrophobicContact CE1-CZ 4.11Å; F236-F248 AromaticContact CE2-CE1 3.77Å; F236-F248 HydrophobicContact CE2-CE1 3.77Å; F236-F248 HydrophobicContact CE2-CE2 4.31Å; F236-F248 AromaticContact CE2-CZ 3.39Å; F236-F248 HydrophobicContact CE2-CZ 3.39Å; F236-F248 HydrophobicContact CG-CE1 4.31Å; F236-F248 HydrophobicContact CZ-CD1 4.45Å; F236-F248 AromaticContact CZ-CE1 3.64Å; F236-F248 HydrophobicContact CZ-CE1 3.64Å; F236-F248 AromaticContact CZ-CE2 4Å; F236-F248 HydrophobicContact CZ-CE2 4Å; F236-F248 AromaticContact CZ-CZ 3.37Å; F236-F248 HydrophobicContact CZ-CZ 3.37Å; F236-F263 AromaticContact CE2-CD2 3.74Å; F236-F263 HydrophobicContact CE2-CD2 3.74Å; F236-F263 AromaticContact CE2-CE2 3.98Å; F236-F263 HydrophobicContact CE2-CE2 3.98Å; F236-F263 HydrophobicContact CZ-CB 4.14Å; F236-F263 AromaticContact CZ-CD2 3.64Å; F236-F263 HydrophobicContact CZ-CD2 3.64Å; F236-F263 HydrophobicContact CZ-CE2 4.33Å; F236-F263 HydrophobicContact CZ-CG 4.06Å; F236-E269 CarbonylContact O-C 3.57Å; F236-E269 VanDerWaalsContact O-CA 3.27Å; F236-E269 WeakPolarHBondContact O-CA 3.42Å; F236-G270 VanDerWaalsContact CD1-O 3.32Å; F236-G270 WeakPolarHBondContact CD1-O 3.27Å; F236-G270 VanDerWaalsContact CE1-C 3.41Å; F236-G270 PolarHBondContact N-O 3.41Å; F236-G270 PolarHBondContact O-N 3.49Å; F236-L272 HydrophobicContact CD1-CD1 4.26Å; F236-L272 HydrophobicContact CD1-CD2 4.47Å; F236-L272 HydrophobicContact CD1-CG 3.9Å; F236-L272 HydrophobicContact CE1-CD1 4.36Å; F236-L272 HydrophobicContact CE1-CD2 3.81Å; F236-L272 HydrophobicContact CE1-CG 3.72Å; F236-V300 HydrophobicContact CB-CG1 3.8Å; F236-V300 HydrophobicContact CD2-CG1 4.46Å; F236-T301 CarbonylContact C-O 3.49Å; F236-T301 VanDerWaalsContact CA-O 3.3Å; F236-T301 WeakPolarHBondContact CA-O 3.38Å; F236-W302 HydrophobicContact CB-CD2 4.09Å; F236-W302 HydrophobicContact CB-CE3 3.52Å; F236-W302 HydrophobicContact CB-CH2 4.11Å; F236-W302 HydrophobicContact CB-CZ3 3.54Å; F236-W302 AromaticContact CD1-CZ3 3.95Å; F236-W302 HydrophobicContact CD1-CZ3 3.95Å; F236-W302 HydrophobicContact CG-CE3 4.41Å; F236-W302 HydrophobicContact CG-CH2 4.34Å; F236-W302 AromaticContact CG-CZ3 3.95Å; F236-W302 HydrophobicContact CG-CZ3 3.95Å
237S69.6Low63.3Low39 Ų3960.8 Ų60.827%0.27330%0.301SS..EExtended strand (participates in β ladder)trans-137.7138.4174.851.10000110.8K268 T301S237-K268 CarbonylContact C-O 3.53Å; S237-K268 VanDerWaalsContact CA-O 3.26Å; S237-K268 WeakPolarHBondContact CA-O 3.44Å; S237-T301 PolarHBondContact N-O 2.94Å; S237-T301 PolarHBondContact O-N 3.43Å; S237-T301 PolarHBondContact O-OG1 2.87Å; S237-T301 PolarHBondContact OG-OG1 3.19Å
238G65.4Low63.5Low17 Ų1756.8 Ų56.818%0.17528%0.28CS..SBendtrans173.7166.8-176.400000113.2L240 K268G238-L240 PolarHBondContact O-N 3.32Å; G238-K268 PolarHBondContact N-O 2.94Å; G238-K268 WeakPolarHBondContact O-CA 3.49Å
239E55.8Low63.6Low103 Ų10353.9 Ų53.948%0.48127%0.266SS..  trans-77.486.2174.8-68.1-153.3129.900111R241 S298E239-R241 PolarHBondContact O-N 2.75Å; E239-R241 IonicContact OE1-CZ 3.84Å; E239-R241 IonicContact OE1-NH2 2.72Å; E239-R241 PolarHBondContact OE1-NH2 3.3Å; E239-R241 IonicContact OE2-NH2 3.62Å; E239-S298 PolarHBondContact O-OG 3.43Å
240L58Low63.9Low3 Ų355.1 Ų55.12%0.01628%0.284CS..  trans-102.855.1-173.7-62.6166.9000111.5F236 G238 D242 V243 F248 F263 M295 V300F236-L240 HydrophobicContact CD2-CD1 3.57Å; F236-L240 HydrophobicContact CE2-CD1 3.34Å; G238-L240 PolarHBondContact O-N 3.32Å; L240-D242 VanDerWaalsContact C-N 3.32Å; L240-D242 PolarHBondContact O-N 2.83Å; L240-V243 HydrophobicContact CB-CB 4.17Å; L240-V243 HydrophobicContact CB-CG2 4.2Å; L240-V243 HydrophobicContact CD2-CB 3.92Å; L240-V243 HydrophobicContact CD2-CG1 4.27Å; L240-V243 HydrophobicContact CD2-CG2 3.51Å; L240-V243 HydrophobicContact CG-CG2 4.47Å; L240-F248 HydrophobicContact CD1-CZ 4.1Å; L240-F263 HydrophobicContact CB-CE2 4.33Å; L240-F263 HydrophobicContact CB-CZ 3.95Å; L240-F263 HydrophobicContact CD1-CE2 3.91Å; L240-F263 HydrophobicContact CD1-CZ 4.23Å; L240-M295 HydrophobicContact CD2-CB 3.94Å; L240-M295 HydrophobicContact CD2-CG 4.46Å; L240-V300 HydrophobicContact CD2-CG2 3.99Å
241R51.9Low64.3Low175 Ų17553.4 Ų53.466%0.6628%0.277SS*.THydrogen-bonded Turntrans-66.9-29.7-174.2-63.1-176.8-168.5174.87.4113.2E239E239-R241 PolarHBondContact O-N 2.75Å; E239-R241 IonicContact OE1-CZ 3.84Å; E239-R241 IonicContact OE1-NH2 2.72Å; E239-R241 PolarHBondContact OE1-NH2 3.3Å; E239-R241 IonicContact OE2-NH2 3.62Å
242D57.4Low64.4Low121 Ų12153 Ų5365%0.64727%0.271SS*.THydrogen-bonded Turntrans-129.723.1-177.7-73.1-47.2000114.6L240 K296L240-D242 VanDerWaalsContact C-N 3.32Å; L240-D242 PolarHBondContact O-N 2.83Å; D242-K296 PolarHBondContact O-NZ 3.25Å; D242-K296 VanDerWaalsContact O-NZ 3.14Å
243V60.8Low64.3Low5 Ų556.5 Ų56.53%0.0330%0.296CS..  trans-94.3129.9177.6-172.30000109.7L240 D247 F248 F263 M295 K296L240-V243 HydrophobicContact CB-CB 4.17Å; L240-V243 HydrophobicContact CB-CG2 4.2Å; L240-V243 HydrophobicContact CD2-CB 3.92Å; L240-V243 HydrophobicContact CD2-CG1 4.27Å; L240-V243 HydrophobicContact CD2-CG2 3.51Å; L240-V243 HydrophobicContact CG-CG2 4.47Å; V243-D247 HydrophobicContact CG1-CB 3.81Å; V243-F248 HydrophobicContact CG1-CD2 4.28Å; V243-F248 HydrophobicContact CG1-CE2 3.68Å; V243-F248 HydrophobicContact CG1-CZ 3.95Å; V243-F263 WeakPolarHBondContact O-CE1 3.39Å; V243-M295 HydrophobicContact CG1-CB 4.46Å; V243-M295 HydrophobicContact CG1-CE 3.76Å; V243-M295 HydrophobicContact CG2-CB 4.33Å; V243-K296 HydrophobicContact CG2-CD 4.33Å
244S61.8Low64.1Low43 Ų4360.3 Ų60.330%0.30134%0.335SS..  trans-104.1161.2-179.169.10000110.9E246 D247 F248S244-E246 PolarHBondContact O-N 3.37Å; S244-D247 PolarHBondContact N-OD2 3.38Å; S244-D247 WeakPolarHBondContact O-CB 3.31Å; S244-D247 PolarHBondContact O-N 2.87Å; S244-D247 VanDerWaalsContact OG-CG 3.32Å; S244-D247 PolarHBondContact OG-OD2 3.5Å; S244-F248 WeakPolarHBondContact O-CD2 3.29Å
245R62.8Low63.7Low135 Ų13563.5 Ų63.551%0.50935%0.35SS..Hα-helixtrans-58.2-29.5178.1-65.8-179.8-179.6177.8-3.5112.5D247 F248 H249 V261 F263R245-D247 VanDerWaalsContact C-N 3.34Å; R245-F248 PolarHBondContact O-N 3.29Å; R245-H249 PolarHBondContact O-CD2 2.99Å; R245-H249 PolarHBondContact O-N 2.85Å; R245-V261 HydrophobicContact CG-CG1 4.2Å; R245-F263 PolarHBondContact NE-O 2.96Å; R245-F263 VanDerWaalsContact NE-O 3.12Å; R245-F263 PolarHBondContact NH2-O 3.18Å
246E67.7Low62.9Low157 Ų15762 Ų6273%0.73435%0.351SS*.Hα-helixtrans-69.4-31.5178.1-63.5177.2178.500112.1S244 F248 H249 A250S244-E246 PolarHBondContact O-N 3.37Å; E246-F248 VanDerWaalsContact C-N 3.3Å; E246-F248 PolarHBondContact O-N 3.3Å; E246-H249 PolarHBondContact O-N 3.46Å; E246-A250 PolarHBondContact O-N 3.31Å
247D67.3Low62.6Low38 Ų3868.9 Ų68.920%0.20338%0.381CS..Hα-helixtrans-66.3-34.2177.2-61.7-58.7000111.4V243 S244 R245 A250 A251 M295 K296V243-D247 HydrophobicContact CG1-CB 3.81Å; S244-D247 PolarHBondContact N-OD2 3.38Å; S244-D247 WeakPolarHBondContact O-CB 3.31Å; S244-D247 PolarHBondContact O-N 2.87Å; S244-D247 VanDerWaalsContact OG-CG 3.32Å; S244-D247 PolarHBondContact OG-OD2 3.5Å; R245-D247 VanDerWaalsContact C-N 3.34Å; D247-A250 PolarHBondContact O-N 2.97Å; D247-A251 WeakPolarHBondContact O-CB 3.4Å; D247-A251 PolarHBondContact O-N 3.34Å; D247-M295 HydrophobicContact CB-CE 3.93Å; D247-K296 VanDerWaalsContact CG-NZ 3.33Å; D247-K296 VanDerWaalsContact OD1-CE 3.29Å; D247-K296 WeakPolarHBondContact OD1-CE 3.36Å; D247-K296 IonicContact OD1-NZ 3.5Å; D247-K296 PolarHBondContact OD1-NZ 2.9Å; D247-K296 IonicContact OD2-NZ 3.34Å; D247-K296 PolarHBondContact OD2-NZ 2.83Å
248F66.7Low62.5Low0 Ų067.7 Ų67.70%037%0.371CS..Hα-helixtrans-69.9-38.7174.3-67.1-80.1000111.9F236 L240 V243 S244 R245 E246 A250 A251 F252 F263 L272 M295 W302F236-F248 HydrophobicContact CD1-CE1 4.24Å; F236-F248 HydrophobicContact CD2-CE1 4.08Å; F236-F248 HydrophobicContact CD2-CZ 4.1Å; F236-F248 HydrophobicContact CE1-CD1 4.44Å; F236-F248 AromaticContact CE1-CE1 3.91Å; F236-F248 HydrophobicContact CE1-CE1 3.91Å; F236-F248 HydrophobicContact CE1-CZ 4.11Å; F236-F248 AromaticContact CE2-CE1 3.77Å; F236-F248 HydrophobicContact CE2-CE1 3.77Å; F236-F248 HydrophobicContact CE2-CE2 4.31Å; F236-F248 AromaticContact CE2-CZ 3.39Å; F236-F248 HydrophobicContact CE2-CZ 3.39Å; F236-F248 HydrophobicContact CG-CE1 4.31Å; F236-F248 HydrophobicContact CZ-CD1 4.45Å; F236-F248 AromaticContact CZ-CE1 3.64Å; F236-F248 HydrophobicContact CZ-CE1 3.64Å; F236-F248 AromaticContact CZ-CE2 4Å; F236-F248 HydrophobicContact CZ-CE2 4Å; F236-F248 AromaticContact CZ-CZ 3.37Å; F236-F248 HydrophobicContact CZ-CZ 3.37Å; L240-F248 HydrophobicContact CD1-CZ 4.1Å; V243-F248 HydrophobicContact CG1-CD2 4.28Å; V243-F248 HydrophobicContact CG1-CE2 3.68Å; V243-F248 HydrophobicContact CG1-CZ 3.95Å; S244-F248 WeakPolarHBondContact O-CD2 3.29Å; R245-F248 PolarHBondContact O-N 3.29Å; E246-F248 VanDerWaalsContact C-N 3.3Å; E246-F248 PolarHBondContact O-N 3.3Å; F248-A250 VanDerWaalsContact C-N 3.31Å; F248-A250 PolarHBondContact O-N 2.83Å; F248-A251 PolarHBondContact O-N 2.83Å; F248-F252 WeakPolarHBondContact O-CD2 3.3Å; F248-F252 PolarHBondContact O-N 3.4Å; F248-F252 VanDerWaalsContact O-N 3.14Å; F248-F263 HydrophobicContact CE2-CD1 4.19Å; F248-F263 HydrophobicContact CE2-CE1 4.38Å; F248-F263 HydrophobicContact CE2-CG 4.42Å; F248-L272 HydrophobicContact CB-CD2 4.43Å; F248-L272 HydrophobicContact CD1-CD1 4.23Å; F248-L272 HydrophobicContact CD1-CD2 4.43Å; F248-L272 HydrophobicContact CG-CD2 4.45Å; F248-M295 HydrophobicContact CD1-CE 3.61Å; F248-M295 HydrophobicContact CD1-SD 4.33Å; F248-M295 HydrophobicContact CD2-CE 4.35Å; F248-M295 HydrophobicContact CE1-CE 3.77Å; F248-M295 HydrophobicContact CE1-CG 4.28Å; F248-M295 HydrophobicContact CE1-SD 4.37Å; F248-M295 HydrophobicContact CE2-CE 4.49Å; F248-M295 HydrophobicContact CG-CE 3.92Å; F248-M295 HydrophobicContact CZ-CE 4.21Å; F248-W302 HydrophobicContact CD1-CH2 4.15Å; F248-W302 AromaticContact CE1-CH2 3.98Å; F248-W302 HydrophobicContact CE1-CH2 3.98Å
249H64.9Low62.6Low96 Ų9672.1 Ų72.144%0.44439%0.386SS..Hα-helixtrans-64.6-36.8172.9-83.8-76.6000112.1R245 E246 S253R245-H249 PolarHBondContact O-CD2 2.99Å; R245-H249 PolarHBondContact O-N 2.85Å; E246-H249 PolarHBondContact O-N 3.46Å; H249-S253 VanDerWaalsContact O-CB 3.3Å; H249-S253 WeakPolarHBondContact O-CB 3.44Å; H249-S253 PolarHBondContact O-N 2.98Å
250A67Low63.2Low71 Ų7172.3 Ų72.359%0.58738%0.382SS*.Hα-helixtrans-68-43.4175.500000112.2E246 D247 F248 F252 S253E246-A250 PolarHBondContact O-N 3.31Å; D247-A250 PolarHBondContact O-N 2.97Å; F248-A250 VanDerWaalsContact C-N 3.31Å; F248-A250 PolarHBondContact O-N 2.83Å; A250-F252 VanDerWaalsContact C-N 3.34Å; A250-F252 PolarHBondContact O-N 2.91Å; A250-S253 WeakPolarHBondContact O-CB 3.47Å; A250-S253 PolarHBondContact O-N 3.01Å
251A64.8Low63.8Low30 Ų3072.7 Ų72.725%0.24839%0.385CS..Hα-helixtrans-67-30.9-178.800000113.8D247 F248 M295D247-A251 WeakPolarHBondContact O-CB 3.4Å; D247-A251 PolarHBondContact O-N 3.34Å; F248-A251 PolarHBondContact O-N 2.83Å; A251-M295 HydrophobicContact CB-CE 4.22Å; A251-M295 HydrophobicContact CB-SD 3.82Å
252F64Low64.6Low2 Ų267.6 Ų67.61%0.00937%0.371CS..THydrogen-bonded Turntrans-1023177.8-72.4-86.5000113.6L234 F248 A250 G254 H255 G256 I258 L272 F274 A285 L293 W302L234-F252 HydrophobicContact CD2-CE1 4.41Å; L234-F252 HydrophobicContact CD2-CZ 4.06Å; F248-F252 WeakPolarHBondContact O-CD2 3.3Å; F248-F252 PolarHBondContact O-N 3.4Å; F248-F252 VanDerWaalsContact O-N 3.14Å; A250-F252 VanDerWaalsContact C-N 3.34Å; A250-F252 PolarHBondContact O-N 2.91Å; F252-G254 PolarHBondContact O-N 2.93Å; F252-G254 VanDerWaalsContact O-N 3.07Å; F252-H255 PolarHBondContact O-N 3.42Å; F252-H255 VanDerWaalsContact O-N 3.09Å; F252-G256 PolarHBondContact O-N 3.26Å; F252-I258 HydrophobicContact CB-CD1 3.78Å; F252-I258 HydrophobicContact CB-CG1 4.25Å; F252-I258 HydrophobicContact CD2-CD1 3.97Å; F252-I258 HydrophobicContact CG-CD1 4.07Å; F252-L272 HydrophobicContact CD2-CD1 4.23Å; F252-L272 HydrophobicContact CE2-CD1 3.76Å; F252-L272 HydrophobicContact CZ-CD1 4.29Å; F252-F274 HydrophobicContact CB-CE1 4.38Å; F252-F274 AromaticContact CD1-CE1 3.78Å; F252-F274 HydrophobicContact CD1-CE1 3.78Å; F252-F274 AromaticContact CD1-CZ 3.69Å; F252-F274 HydrophobicContact CD1-CZ 3.69Å; F252-F274 HydrophobicContact CE1-CE1 4.28Å; F252-F274 AromaticContact CE1-CZ 3.75Å; F252-F274 HydrophobicContact CE1-CZ 3.75Å; F252-F274 HydrophobicContact CG-CE1 4.11Å; F252-F274 HydrophobicContact CG-CZ 4.1Å; F252-F274 HydrophobicContact CZ-CZ 4.2Å; F252-A285 HydrophobicContact CD1-CB 3.85Å; F252-A285 HydrophobicContact CE1-CB 3.59Å; F252-A285 HydrophobicContact CZ-CB 4.46Å; F252-L293 HydrophobicContact CE1-CD1 4.33Å; F252-L293 HydrophobicContact CZ-CD1 4.06Å; F252-W302 AromaticContact CE2-CH2 3.74Å; F252-W302 HydrophobicContact CE2-CH2 3.74Å; F252-W302 AromaticContact CE2-CZ3 3.91Å; F252-W302 HydrophobicContact CE2-CZ3 3.91Å; F252-W302 HydrophobicContact CZ-CE3 4.39Å; F252-W302 HydrophobicContact CZ-CH2 4Å; F252-W302 AromaticContact CZ-CZ3 3.87Å; F252-W302 HydrophobicContact CZ-CZ3 3.87Å
253S60.4Low65.2Low92 Ų9262 Ų6264%0.64334%0.341SS*.THydrogen-bonded Turntrans-62.5110.6177.1-1700000110.1H249 A250H249-S253 VanDerWaalsContact O-CB 3.3Å; H249-S253 WeakPolarHBondContact O-CB 3.44Å; H249-S253 PolarHBondContact O-N 2.98Å; A250-S253 WeakPolarHBondContact O-CB 3.47Å; A250-S253 PolarHBondContact O-N 3.01Å
254G62.2Low65.6Low79 Ų7966.4 Ų66.481%0.81437%0.368SS*.THydrogen-bonded Turntrans103.2-13.4-178.400000115.6F252F252-G254 PolarHBondContact O-N 2.93Å; F252-G254 VanDerWaalsContact O-N 3.07Å
255H60.8Low65.5Low67 Ų6773.9 Ų73.931%0.3139%0.389SS..THydrogen-bonded Turntrans-112.4-20-177.6-58.8-73.4000113.6F252 K284 A285 A288F252-H255 PolarHBondContact O-N 3.42Å; F252-H255 VanDerWaalsContact O-N 3.09Å; H255-K284 HydrophobicContact CB-CB 4.08Å; H255-A285 HydrophobicContact CB-CB 4.26Å; H255-A288 VanDerWaalsContact CE1-CB 3.49Å; H255-A288 WeakPolarHBondContact CE1-CB 3.45Å
256G59.5Low65.3Low27 Ų2769.9 Ų69.928%0.27839%0.39SS..  trans-178146.7172.200000111.7F252 I258F252-G256 PolarHBondContact O-N 3.26Å; G256-I258 PolarHBondContact O-N 2.96Å
257K65Low65.3Low146 Ų14664.1 Ų64.164%0.63537%0.369SS*.  trans-86.3114178.2-174.2-178.3170.4-150.80109.5D275K257-D275 HydrophobicContact CB-CB 4.19Å; K257-D275 HydrophobicContact CD-CB 4.33Å; K257-D275 HydrophobicContact CG-CB 4.35Å; K257-D275 IonicContact NZ-OD2 3.82Å; K257-D275 PolarHBondContact NZ-OD2 3.03Å; K257-D275 WeakPolarHBondContact O-CB 3.49Å; K257-D275 PolarHBondContact O-N 3.16Å
258I68.4Low65.2Low14 Ų1469 Ų697%0.07239%0.389CS..EExtended strand (participates in β ladder)trans-76.4124.8175.2-60.8169.1000108.9F252 G256 W260 V261 L272 F274F252-I258 HydrophobicContact CB-CD1 3.78Å; F252-I258 HydrophobicContact CB-CG1 4.25Å; F252-I258 HydrophobicContact CD2-CD1 3.97Å; F252-I258 HydrophobicContact CG-CD1 4.07Å; G256-I258 PolarHBondContact O-N 2.96Å; I258-W260 WeakPolarHBondContact CG2-O 3.24Å; I258-V261 HydrophobicContact CG2-CG2 3.6Å; I258-L272 HydrophobicContact CD1-CD1 4.39Å; I258-F274 HydrophobicContact CD1-CE1 4.33Å; I258-F274 HydrophobicContact CG1-CD1 3.94Å; I258-F274 HydrophobicContact CG1-CE1 3.51Å; I258-F274 HydrophobicContact CG1-CZ 4.03Å
259K67.9Low65.5Low110 Ų11074.1 Ų74.148%0.47841%0.413SS..EExtended strand (participates in β ladder)trans-88.6-37.4177.7-170.9174.1-178.81770111.9L273 D275K259-L273 HydrophobicContact CB-CD2 4.43Å; K259-L273 HydrophobicContact CB-CG 4.48Å; K259-L273 HydrophobicContact CD-CD2 4.27Å; K259-L273 HydrophobicContact CG-CD2 4.48Å; K259-L273 PolarHBondContact N-O 3.41Å; K259-D275 HydrophobicContact CB-CB 4.3Å
260W68Low65.9Low107 Ų10769.8 Ų69.841%0.40539%0.394SS..EExtended strand (participates in β ladder)trans-150.5144.2179-171.5-100.5000112.1I258 L273 I317I258-W260 WeakPolarHBondContact CG2-O 3.24Å; W260-L273 HydrophobicContact CB-CB 3.95Å; W260-L273 HydrophobicContact CB-CD2 4.1Å; W260-L273 PolarHBondContact N-O 3.04Å; W260-L273 VanDerWaalsContact N-O 3.16Å; W260-L273 PolarHBondContact O-N 2.87Å; W260-I317 HydrophobicContact CG-CG2 4.37Å
261V70.4Confident66.2Low12 Ų1266.7 Ų66.77%0.07337%0.368CS..EExtended strand (participates in β ladder)trans-120.9105.8175.8-1800000108.1R245 I258 F263 L272R245-V261 HydrophobicContact CG-CG1 4.2Å; I258-V261 HydrophobicContact CG2-CG2 3.6Å; V261-F263 HydrophobicContact CG1-CB 3.8Å; V261-F263 PolarHBondContact O-N 2.79Å; V261-L272 HydrophobicContact CB-CD2 4.09Å; V261-L272 HydrophobicContact CG1-CD2 3.71Å; V261-L272 HydrophobicContact CG2-CD2 3.73Å
262D68.4Low66.4Low68 Ų6865.3 Ų65.336%0.36436%0.356SS..EExtended strand (participates in β ladder)trans-89.684.8170.5-169.928.5000109.6G270 T271 I317D262-G270 WeakPolarHBondContact O-CA 3.31Å; D262-T271 PolarHBondContact N-O 3.01Å; D262-T271 PolarHBondContact O-N 3.46Å; D262-I317 HydrophobicContact CB-CD1 4.5Å
263F70.8Confident66.7Low3 Ų365.6 Ų65.61%0.01336%0.358CS..  trans-140.3128.9177.9-178.5-110.1000110.4F236 L240 V243 R245 F248 V261 A267F236-F263 AromaticContact CE2-CD2 3.74Å; F236-F263 HydrophobicContact CE2-CD2 3.74Å; F236-F263 AromaticContact CE2-CE2 3.98Å; F236-F263 HydrophobicContact CE2-CE2 3.98Å; F236-F263 HydrophobicContact CZ-CB 4.14Å; F236-F263 AromaticContact CZ-CD2 3.64Å; F236-F263 HydrophobicContact CZ-CD2 3.64Å; F236-F263 HydrophobicContact CZ-CE2 4.33Å; F236-F263 HydrophobicContact CZ-CG 4.06Å; L240-F263 HydrophobicContact CB-CE2 4.33Å; L240-F263 HydrophobicContact CB-CZ 3.95Å; L240-F263 HydrophobicContact CD1-CE2 3.91Å; L240-F263 HydrophobicContact CD1-CZ 4.23Å; V243-F263 WeakPolarHBondContact O-CE1 3.39Å; R245-F263 PolarHBondContact NE-O 2.96Å; R245-F263 VanDerWaalsContact NE-O 3.12Å; R245-F263 PolarHBondContact NH2-O 3.18Å; F248-F263 HydrophobicContact CE2-CD1 4.19Å; F248-F263 HydrophobicContact CE2-CE1 4.38Å; F248-F263 HydrophobicContact CE2-CG 4.42Å; V261-F263 HydrophobicContact CG1-CB 3.8Å; V261-F263 PolarHBondContact O-N 2.79Å; F263-A267 HydrophobicContact CE2-CB 4.24Å; F263-A267 WeakPolarHBondContact CE2-O 3.22Å
264T69.3Low67.2Low98 Ų9861.5 Ų61.560%0.60133%0.329SS*.  trans-99.8128170.7-59.60000108.4G266 A267T264-G266 PolarHBondContact O-N 3.32Å; T264-A267 WeakPolarHBondContact O-CB 3.32Å; T264-A267 PolarHBondContact O-N 2.83Å
265R59.7Low67.2Low199 Ų19961.9 Ų61.975%0.75131%0.312SS*.THydrogen-bonded Turntrans-55.4121.5-177.7-174.3179179176.8-0.2110.2
266G58.3Low67.4Low52 Ų5260.5 Ų60.554%0.53632%0.316SS..THydrogen-bonded Turntrans93.3-2.4-176.900000115.4T264T264-G266 PolarHBondContact O-N 3.32Å
267A66.9Low67.9Low35 Ų3562.4 Ų62.429%0.28932%0.32SS..  trans-72.3145.5170.500000110.9F263 T264 E269F263-A267 HydrophobicContact CE2-CB 4.24Å; F263-A267 WeakPolarHBondContact CE2-O 3.22Å; T264-A267 WeakPolarHBondContact O-CB 3.32Å; T264-A267 PolarHBondContact O-N 2.83Å; A267-E269 VanDerWaalsContact C-N 3.26Å
268K65.1Low67.9Low142 Ų14255.5 Ų55.562%0.61729%0.29SS*.SBendtrans-81.5-6.5177-63.3-176.6179.2-175.30113S237 G238S237-K268 CarbonylContact C-O 3.53Å; S237-K268 VanDerWaalsContact CA-O 3.26Å; S237-K268 WeakPolarHBondContact CA-O 3.44Å; G238-K268 PolarHBondContact N-O 2.94Å; G238-K268 WeakPolarHBondContact O-CA 3.49Å
269E73.6Confident67.8Low106 Ų10658.4 Ų58.450%0.49530%0.302SS..EExtended strand (participates in β ladder)trans-143.5150.5-174.7-51.2-177.3-149.600109.6K235 F236 A267K235-E269 WeakPolarHBondContact CE-OE2 3.31Å; K235-E269 IonicContact NZ-OE2 2.77Å; K235-E269 PolarHBondContact NZ-OE2 3.42Å; F236-E269 CarbonylContact O-C 3.57Å; F236-E269 VanDerWaalsContact O-CA 3.27Å; F236-E269 WeakPolarHBondContact O-CA 3.42Å; A267-E269 VanDerWaalsContact C-N 3.26Å
270G72.4Confident67.7Low6 Ų658 Ų586%0.06230%0.301CS..EExtended strand (participates in β ladder)trans-160.8171.1173.600000112.2F236 D262F236-G270 VanDerWaalsContact CD1-O 3.32Å; F236-G270 WeakPolarHBondContact CD1-O 3.27Å; F236-G270 VanDerWaalsContact CE1-C 3.41Å; F236-G270 PolarHBondContact N-O 3.41Å; F236-G270 PolarHBondContact O-N 3.49Å; D262-G270 WeakPolarHBondContact O-CA 3.31Å
271T73.5Confident67.6Low6 Ų653.2 Ų53.24%0.03729%0.285CS..EExtended strand (participates in β ladder)trans-130.9135.7-178.6-38.20000111L233 L234 D262L233-T271 HydrophobicContact CB-CG2 4.4Å; L233-T271 HydrophobicContact CD2-CG2 3.53Å; L234-T271 WeakPolarHBondContact O-CA 3.05Å; D262-T271 PolarHBondContact N-O 3.01Å; D262-T271 PolarHBondContact O-N 3.46Å
272L69.4Low67.4Low0 Ų054.3 Ų54.30%029%0.289CS..EExtended strand (participates in β ladder)trans-109.1131.3175.7-57.2178000109.6L233 L234 F236 F248 F252 I258 V261 F274 W302L233-L272 WeakPolarHBondContact CA-O 3.32Å; L234-L272 HydrophobicContact CB-CB 4.45Å; L234-L272 PolarHBondContact N-O 2.96Å; L234-L272 PolarHBondContact O-N 3.26Å; F236-L272 HydrophobicContact CD1-CD1 4.26Å; F236-L272 HydrophobicContact CD1-CD2 4.47Å; F236-L272 HydrophobicContact CD1-CG 3.9Å; F236-L272 HydrophobicContact CE1-CD1 4.36Å; F236-L272 HydrophobicContact CE1-CD2 3.81Å; F236-L272 HydrophobicContact CE1-CG 3.72Å; F248-L272 HydrophobicContact CB-CD2 4.43Å; F248-L272 HydrophobicContact CD1-CD1 4.23Å; F248-L272 HydrophobicContact CD1-CD2 4.43Å; F248-L272 HydrophobicContact CG-CD2 4.45Å; F252-L272 HydrophobicContact CD2-CD1 4.23Å; F252-L272 HydrophobicContact CE2-CD1 3.76Å; F252-L272 HydrophobicContact CZ-CD1 4.29Å; I258-L272 HydrophobicContact CD1-CD1 4.39Å; V261-L272 HydrophobicContact CB-CD2 4.09Å; V261-L272 HydrophobicContact CG1-CD2 3.71Å; V261-L272 HydrophobicContact CG2-CD2 3.73Å; L272-F274 HydrophobicContact CB-CD2 4.43Å; L272-F274 HydrophobicContact CB-CE2 3.8Å; L272-F274 HydrophobicContact CB-CZ 4.33Å; L272-F274 HydrophobicContact CD1-CE2 4.37Å; L272-F274 HydrophobicContact CD1-CZ 4.21Å; L272-W302 HydrophobicContact CD1-CH2 4.45Å; L272-W302 HydrophobicContact CD1-CZ3 3.85Å
273L70.2Confident67.2Low9 Ų956.8 Ų56.85%0.04730%0.298CS..EExtended strand (participates in β ladder)trans-103.9122.5171-176.572.2000109C232 L233 K259 W260 L314C232-L273 HydrophobicContact CB-CD1 4.02Å; C232-L273 WeakPolarHBondContact O-CA 3.39Å; L233-L273 HydrophobicContact CD2-CB 4.17Å; L233-L273 HydrophobicContact CD2-CD1 3.87Å; L233-L273 HydrophobicContact CG-CD1 3.86Å; K259-L273 HydrophobicContact CB-CD2 4.43Å; K259-L273 HydrophobicContact CB-CG 4.48Å; K259-L273 HydrophobicContact CD-CD2 4.27Å; K259-L273 HydrophobicContact CG-CD2 4.48Å; K259-L273 PolarHBondContact N-O 3.41Å; W260-L273 HydrophobicContact CB-CB 3.95Å; W260-L273 HydrophobicContact CB-CD2 4.1Å; W260-L273 PolarHBondContact N-O 3.04Å; W260-L273 VanDerWaalsContact N-O 3.16Å; W260-L273 PolarHBondContact O-N 2.87Å; L273-L314 HydrophobicContact CD1-CD1 3.76Å; L273-L314 HydrophobicContact CD2-CD1 4.49Å
274F71.1Confident67.2Low6 Ų661.6 Ų61.63%0.02632%0.319CS..EExtended strand (participates in β ladder)trans-95.5151.5178.6-70.6-90.8000112.3C232 L234 F252 I258 L272 G276 A278 A281C232-F274 PolarHBondContact O-N 2.78Å; L234-F274 HydrophobicContact CB-CD2 4.42Å; L234-F274 HydrophobicContact CB-CE2 3.82Å; L234-F274 HydrophobicContact CD2-CE2 3.94Å; L234-F274 HydrophobicContact CD2-CZ 4.3Å; F252-F274 HydrophobicContact CB-CE1 4.38Å; F252-F274 AromaticContact CD1-CE1 3.78Å; F252-F274 HydrophobicContact CD1-CE1 3.78Å; F252-F274 AromaticContact CD1-CZ 3.69Å; F252-F274 HydrophobicContact CD1-CZ 3.69Å; F252-F274 HydrophobicContact CE1-CE1 4.28Å; F252-F274 AromaticContact CE1-CZ 3.75Å; F252-F274 HydrophobicContact CE1-CZ 3.75Å; F252-F274 HydrophobicContact CG-CE1 4.11Å; F252-F274 HydrophobicContact CG-CZ 4.1Å; F252-F274 HydrophobicContact CZ-CZ 4.2Å; I258-F274 HydrophobicContact CD1-CE1 4.33Å; I258-F274 HydrophobicContact CG1-CD1 3.94Å; I258-F274 HydrophobicContact CG1-CE1 3.51Å; I258-F274 HydrophobicContact CG1-CZ 4.03Å; L272-F274 HydrophobicContact CB-CD2 4.43Å; L272-F274 HydrophobicContact CB-CE2 3.8Å; L272-F274 HydrophobicContact CB-CZ 4.33Å; L272-F274 HydrophobicContact CD1-CE2 4.37Å; L272-F274 HydrophobicContact CD1-CZ 4.21Å; F274-G276 PolarHBondContact O-N 3Å; F274-A278 HydrophobicContact CD2-CB 3.93Å; F274-A281 HydrophobicContact CD1-CB 3.84Å; F274-A281 HydrophobicContact CE1-CB 3.91Å; F274-A281 HydrophobicContact CG-CB 4.29Å; F274-A281 HydrophobicContact CZ-CB 4.41Å
275D62.3Low66.9Low86 Ų8656.9 Ų56.946%0.4629%0.291SS..SBendtrans-85.355.9171.5-155.917.7000108.7K257 K259K257-D275 HydrophobicContact CB-CB 4.19Å; K257-D275 HydrophobicContact CD-CB 4.33Å; K257-D275 HydrophobicContact CG-CB 4.35Å; K257-D275 IonicContact NZ-OD2 3.82Å; K257-D275 PolarHBondContact NZ-OD2 3.03Å; K257-D275 WeakPolarHBondContact O-CB 3.49Å; K257-D275 PolarHBondContact O-N 3.16Å; K259-D275 HydrophobicContact CB-CB 4.3Å
276G64.9Low67.2Low38 Ų3852.1 Ų52.139%0.39228%0.275SS..SBendtrans150.7-173.5-170.600000112.8C232 F274 A278C232-G276 PolarHBondContact SG-O 3.29Å; F274-G276 PolarHBondContact O-N 3Å; G276-A278 PolarHBondContact O-N 3.41Å
277N70.4Confident67.6Low68 Ų6857.2 Ų57.236%0.36429%0.285SS..  trans-67.9116-176.1-164.6-14.3000111.9G231 K279 E280 A281G231-N277 PolarHBondContact O-OD1 3.46Å; N277-K279 VanDerWaalsContact C-N 3.26Å; N277-K279 PolarHBondContact O-N 2.84Å; N277-K279 PolarHBondContact OD1-N 3.49Å; N277-E280 HydrophobicContact CB-CB 4.36Å; N277-E280 HydrophobicContact CB-CG 4.14Å; N277-E280 PolarHBondContact ND2-OE1 3.46Å; N277-E280 PolarHBondContact O-N 3.24Å; N277-A281 PolarHBondContact O-N 3.43Å
278A65.4Low67.3Low0 Ų058.1 Ų58.10%029%0.292CS..Hα-helixtrans-65.7-28.7-177.900000112.6G231 C232 F274 G276 F282G231-A278 PolarHBondContact O-N 3.4Å; C232-A278 VanDerWaalsContact C-CB 3.44Å; F274-A278 HydrophobicContact CD2-CB 3.93Å; G276-A278 PolarHBondContact O-N 3.41Å; A278-F282 WeakPolarHBondContact O-CB 3.46Å; A278-F282 PolarHBondContact O-N 2.89Å
279K65.8Low67Low75 Ų7554.8 Ų54.833%0.32628%0.281SS..Hα-helixtrans-62.3-49.1174.4-75.1179.5154.8172.30111.9N277 F282 E283 V304 E306N277-K279 VanDerWaalsContact C-N 3.26Å; N277-K279 PolarHBondContact O-N 2.84Å; N277-K279 PolarHBondContact OD1-N 3.49Å; K279-F282 PolarHBondContact O-N 3.14Å; K279-E283 WeakPolarHBondContact O-CG 3.42Å; K279-E283 PolarHBondContact O-N 2.86Å; K279-V304 HydrophobicContact CD-CG1 4.48Å; K279-V304 HydrophobicContact CG-CB 4.48Å; K279-V304 HydrophobicContact CG-CG1 3.68Å; K279-V304 HydrophobicContact CG-CG2 4.19Å; K279-E306 WeakPolarHBondContact CE-OE1 3.43Å; K279-E306 VanDerWaalsContact CE-OE2 3.32Å; K279-E306 WeakPolarHBondContact CE-OE2 3.45Å; K279-E306 IonicContact NZ-OE1 2.66Å; K279-E306 PolarHBondContact NZ-OE1 2.85Å; K279-E306 IonicContact NZ-OE2 3.33Å; K279-E306 PolarHBondContact NZ-OE2 3.39Å
280E66.8Low65.8Low101 Ų10159.1 Ų59.147%0.47230%0.302SS..Hα-helixtrans-67.3-39-178.9-66.7176.5-155.300111.9N277 F282 K284N277-E280 HydrophobicContact CB-CB 4.36Å; N277-E280 HydrophobicContact CB-CG 4.14Å; N277-E280 PolarHBondContact ND2-OE1 3.46Å; N277-E280 PolarHBondContact O-N 3.24Å; E280-F282 VanDerWaalsContact C-N 3.33Å; E280-K284 WeakPolarHBondContact O-CB 3.38Å; E280-K284 VanDerWaalsContact O-CG 3.29Å; E280-K284 WeakPolarHBondContact O-CG 3.47Å; E280-K284 PolarHBondContact O-N 3.42Å; E280-K284 VanDerWaalsContact O-N 3.1Å
281A64.6Low64.9Low8 Ų860.8 Ų60.87%0.06632%0.319CS..Hα-helixtrans-66-38175.400000111.7F274 N277 A285F274-A281 HydrophobicContact CD1-CB 3.84Å; F274-A281 HydrophobicContact CE1-CB 3.91Å; F274-A281 HydrophobicContact CG-CB 4.29Å; F274-A281 HydrophobicContact CZ-CB 4.41Å; N277-A281 PolarHBondContact O-N 3.43Å; A281-A285 VanDerWaalsContact O-CB 3.27Å; A281-A285 WeakPolarHBondContact O-CB 3.18Å; A281-A285 PolarHBondContact O-N 2.74Å; A281-A285 VanDerWaalsContact O-N 3.12Å
282F65.6Low63.8Low34 Ų3465.3 Ų65.315%0.14934%0.34CS..Hα-helixtrans-69.6-43.9177.1178.4-114.1000112.6L234 A278 K279 E280 A285 K286 W302 V304L234-F282 HydrophobicContact CD1-CB 4.17Å; L234-F282 HydrophobicContact CD1-CD2 4.01Å; L234-F282 HydrophobicContact CD1-CG 4.01Å; L234-F282 HydrophobicContact CD2-CB 4.26Å; L234-F282 HydrophobicContact CD2-CD2 3.86Å; L234-F282 HydrophobicContact CD2-CG 4.36Å; A278-F282 WeakPolarHBondContact O-CB 3.46Å; A278-F282 PolarHBondContact O-N 2.89Å; K279-F282 PolarHBondContact O-N 3.14Å; E280-F282 VanDerWaalsContact C-N 3.33Å; F282-A285 PolarHBondContact O-N 3.12Å; F282-K286 HydrophobicContact CE1-CD 4.5Å; F282-K286 HydrophobicContact CZ-CD 4.46Å; F282-K286 WeakPolarHBondContact O-CB 3.29Å; F282-K286 PolarHBondContact O-N 3.06Å; F282-W302 HydrophobicContact CD2-CB 4.05Å; F282-W302 HydrophobicContact CD2-CG 4.3Å; F282-W302 HydrophobicContact CE2-CB 3.18Å; F282-W302 AromaticContact CE2-CD1 3.91Å; F282-W302 HydrophobicContact CE2-CD2 4.14Å; F282-W302 AromaticContact CE2-CG 3.44Å; F282-W302 HydrophobicContact CE2-CG 3.44Å; F282-W302 VanDerWaalsContact CE2-CG 3.44Å; F282-W302 HydrophobicContact CZ-CB 3.5Å; F282-W302 VanDerWaalsContact CZ-CB 3.5Å; F282-W302 HydrophobicContact CZ-CG 4.12Å; F282-V304 HydrophobicContact CD1-CG2 4.2Å
283E66.3Low63.2Low120 Ų12065.7 Ų65.756%0.56134%0.342SS*.Hα-helixtrans-62.3-46.8177.2-75.4-177.8168.400111.7K279 A285 K286 E287K279-E283 WeakPolarHBondContact O-CG 3.42Å; K279-E283 PolarHBondContact O-N 2.86Å; E283-A285 VanDerWaalsContact C-N 3.3Å; E283-A285 PolarHBondContact O-N 3.29Å; E283-K286 PolarHBondContact O-N 3.32Å; E283-K286 VanDerWaalsContact O-N 3.15Å; E283-E287 WeakPolarHBondContact O-CG 3.38Å; E283-E287 PolarHBondContact O-N 2.86Å
284K69.3Low62.6Low104 Ų10470.5 Ų70.545%0.45236%0.362SS..Hα-helixtrans-60.4-39.5175.9-73.5172.7-175.4166.50112.6H255 E280 A288H255-K284 HydrophobicContact CB-CB 4.08Å; E280-K284 WeakPolarHBondContact O-CB 3.38Å; E280-K284 VanDerWaalsContact O-CG 3.29Å; E280-K284 WeakPolarHBondContact O-CG 3.47Å; E280-K284 PolarHBondContact O-N 3.42Å; E280-K284 VanDerWaalsContact O-N 3.1Å; K284-A288 WeakPolarHBondContact O-CB 3.45Å; K284-A288 PolarHBondContact O-N 3.17Å; K284-A288 VanDerWaalsContact O-N 3.11Å
285A64.4Low61.8Low0 Ų070.5 Ų70.50%036%0.363CS..Hα-helixtrans-73.3-30.3178.700000112.2F252 H255 A281 F282 E283 N289 L293F252-A285 HydrophobicContact CD1-CB 3.85Å; F252-A285 HydrophobicContact CE1-CB 3.59Å; F252-A285 HydrophobicContact CZ-CB 4.46Å; H255-A285 HydrophobicContact CB-CB 4.26Å; A281-A285 VanDerWaalsContact O-CB 3.27Å; A281-A285 WeakPolarHBondContact O-CB 3.18Å; A281-A285 PolarHBondContact O-N 2.74Å; A281-A285 VanDerWaalsContact O-N 3.12Å; F282-A285 PolarHBondContact O-N 3.12Å; E283-A285 VanDerWaalsContact C-N 3.3Å; E283-A285 PolarHBondContact O-N 3.29Å; A285-N289 PolarHBondContact O-N 3.07Å; A285-N289 PolarHBondContact O-ND2 3.44Å; A285-L293 HydrophobicContact CB-CD1 3.45Å; A285-L293 VanDerWaalsContact CB-CD1 3.45Å
286K65.6Low61.4Low98 Ų9872.9 Ų72.943%0.42637%0.369SS..Hα-helixtrans-72.8-41.7174.7-174.3178.5179.5-175.90112F282 E283 A288 N289 E290 G291F282-K286 HydrophobicContact CE1-CD 4.5Å; F282-K286 HydrophobicContact CZ-CD 4.46Å; F282-K286 WeakPolarHBondContact O-CB 3.29Å; F282-K286 PolarHBondContact O-N 3.06Å; E283-K286 PolarHBondContact O-N 3.32Å; E283-K286 VanDerWaalsContact O-N 3.15Å; K286-A288 VanDerWaalsContact C-N 3.35Å; K286-N289 CarbonylContact O-C 3.56Å; K286-N289 PolarHBondContact O-N 3.31Å; K286-E290 PolarHBondContact O-N 3.19Å; K286-G291 VanDerWaalsContact CE-O 3.28Å; K286-G291 WeakPolarHBondContact CE-O 3.41Å; K286-G291 PolarHBondContact O-N 3.16Å
287E65.3Low60.8Low160 Ų16074.3 Ų74.375%0.74838%0.384SS*.Hα-helixtrans-64.4-38.9175.3-74.2-179.5170.400112E283 N289E283-E287 WeakPolarHBondContact O-CG 3.38Å; E283-E287 PolarHBondContact O-N 2.86Å; E287-N289 PolarHBondContact O-N 3.09Å
288A60.8Low60.2Low53 Ų5373 Ų7344%0.43838%0.38SS..Hα-helixtrans-68.7-19.9176.500000114.1H255 K284 K286H255-A288 VanDerWaalsContact CE1-CB 3.49Å; H255-A288 WeakPolarHBondContact CE1-CB 3.45Å; K284-A288 WeakPolarHBondContact O-CB 3.45Å; K284-A288 PolarHBondContact O-N 3.17Å; K284-A288 VanDerWaalsContact O-N 3.11Å; K286-A288 VanDerWaalsContact C-N 3.35Å
289N59.5Low59.6Low73 Ų7376.9 Ų76.939%0.3941%0.407SS..THydrogen-bonded Turntrans-114.632.1-177.8-69.6-65.6000113A285 K286 E287 G291 E292A285-N289 PolarHBondContact O-N 3.07Å; A285-N289 PolarHBondContact O-ND2 3.44Å; K286-N289 CarbonylContact O-C 3.56Å; K286-N289 PolarHBondContact O-N 3.31Å; E287-N289 PolarHBondContact O-N 3.09Å; N289-G291 PolarHBondContact O-N 3.31Å; N289-E292 PolarHBondContact O-N 3.49Å
290E47.9Very low59.6Low196 Ų19673.9 Ų73.992%0.91640%0.395SS*.THydrogen-bonded Turntrans52.433.9174.8-62.9-177162.700114.1K286K286-E290 PolarHBondContact O-N 3.19Å
291G53.7Low59.5Low42 Ų4273.5 Ų73.543%0.43340%0.399SS..THydrogen-bonded Turntrans90.9-817400000116.3K286 N289K286-G291 VanDerWaalsContact CE-O 3.28Å; K286-G291 WeakPolarHBondContact CE-O 3.41Å; K286-G291 PolarHBondContact O-N 3.16Å; N289-G291 PolarHBondContact O-N 3.31Å
292E49.9Very low59.7Low101 Ų10174.9 Ų74.947%0.47240%0.403SS..  trans-138.599.6179.3-159.9179.7-170.300112.1N289 K294N289-E292 PolarHBondContact O-N 3.49Å; E292-K294 HydrophobicContact CG-CG 4.32Å; E292-K294 PolarHBondContact O-N 3.35Å; E292-K294 WeakPolarHBondContact OE2-CE 3.2Å; E292-K294 IonicContact OE2-NZ 2.94Å; E292-K294 PolarHBondContact OE2-NZ 2.8Å
293L57.7Low60Low7 Ų778.6 Ų78.64%0.03742%0.421CS..  trans-77.895.7-179.1-153.7158.8000110.1F252 A285 M295 W302F252-L293 HydrophobicContact CE1-CD1 4.33Å; F252-L293 HydrophobicContact CZ-CD1 4.06Å; A285-L293 HydrophobicContact CB-CD1 3.45Å; A285-L293 VanDerWaalsContact CB-CD1 3.45Å; L293-M295 HydrophobicContact CD2-SD 4.05Å; L293-W302 HydrophobicContact CD2-CH2 4.32Å; L293-W302 HydrophobicContact CD2-CZ2 3.52Å; L293-W302 PolarHBondContact O-NE1 3.26Å; L293-W302 VanDerWaalsContact O-NE1 3.11Å
294K56.6Low60.1Low110 Ų11074.6 Ų74.648%0.47840%0.404SS..EExtended strand (participates in β ladder)trans-91.3130.8178.7-68175.5-177.1161.70110.9E292 S298E292-K294 HydrophobicContact CG-CG 4.32Å; E292-K294 PolarHBondContact O-N 3.35Å; E292-K294 WeakPolarHBondContact OE2-CE 3.2Å; E292-K294 IonicContact OE2-NZ 2.94Å; E292-K294 PolarHBondContact OE2-NZ 2.8Å; K294-S298 WeakPolarHBondContact CA-O 3.43Å
295M56Low59.7Low7 Ų770.1 Ų70.13%0.03439%0.385CS..EExtended strand (participates in β ladder)trans-96.3113.5171.5-63.6-63.4-68.600108.4L240 V243 D247 F248 A251 L293 G297 S298 V300 W302L240-M295 HydrophobicContact CD2-CB 3.94Å; L240-M295 HydrophobicContact CD2-CG 4.46Å; V243-M295 HydrophobicContact CG1-CB 4.46Å; V243-M295 HydrophobicContact CG1-CE 3.76Å; V243-M295 HydrophobicContact CG2-CB 4.33Å; D247-M295 HydrophobicContact CB-CE 3.93Å; F248-M295 HydrophobicContact CD1-CE 3.61Å; F248-M295 HydrophobicContact CD1-SD 4.33Å; F248-M295 HydrophobicContact CD2-CE 4.35Å; F248-M295 HydrophobicContact CE1-CE 3.77Å; F248-M295 HydrophobicContact CE1-CG 4.28Å; F248-M295 HydrophobicContact CE1-SD 4.37Å; F248-M295 HydrophobicContact CE2-CE 4.49Å; F248-M295 HydrophobicContact CG-CE 3.92Å; F248-M295 HydrophobicContact CZ-CE 4.21Å; A251-M295 HydrophobicContact CB-CE 4.22Å; A251-M295 HydrophobicContact CB-SD 3.82Å; L293-M295 HydrophobicContact CD2-SD 4.05Å; M295-G297 PolarHBondContact O-N 3.46Å; M295-G297 VanDerWaalsContact O-N 3.1Å; M295-S298 PolarHBondContact N-O 3.25Å; M295-S298 PolarHBondContact O-N 2.86Å; M295-V300 HydrophobicContact CB-CG2 3.88Å; M295-V300 HydrophobicContact CG-CG2 3.8Å; M295-W302 HydrophobicContact CG-CZ2 4.06Å; M295-W302 HydrophobicContact SD-CZ2 4.38Å
296K53.3Low59.4Low136 Ų13675.2 Ų75.259%0.59141%0.409SS*.THydrogen-bonded Turntrans47.539.2-179.8-73.5178.7168159.60114.2D242 V243 D247 S298D242-K296 PolarHBondContact O-NZ 3.25Å; D242-K296 VanDerWaalsContact O-NZ 3.14Å; V243-K296 HydrophobicContact CG2-CD 4.33Å; D247-K296 VanDerWaalsContact CG-NZ 3.33Å; D247-K296 VanDerWaalsContact OD1-CE 3.29Å; D247-K296 WeakPolarHBondContact OD1-CE 3.36Å; D247-K296 IonicContact OD1-NZ 3.5Å; D247-K296 PolarHBondContact OD1-NZ 2.9Å; D247-K296 IonicContact OD2-NZ 3.34Å; D247-K296 PolarHBondContact OD2-NZ 2.83Å; K296-S298 VanDerWaalsContact C-N 3.35Å; K296-S298 PolarHBondContact O-N 3.34Å
297G53.3Low59.3Low68 Ų6872.3 Ų72.370%0.70141%0.407SS*.THydrogen-bonded Turntrans84.9-5177.200000115.9M295M295-G297 PolarHBondContact O-N 3.46Å; M295-G297 VanDerWaalsContact O-N 3.1Å
298S56.4Low59.1Low41 Ų4170.8 Ų70.829%0.28740%0.404SS..EExtended strand (participates in β ladder)trans-86.5134.7170.4-64.10000110.6E239 K294 M295 K296 V300E239-S298 PolarHBondContact O-OG 3.43Å; K294-S298 WeakPolarHBondContact CA-O 3.43Å; M295-S298 PolarHBondContact N-O 3.25Å; M295-S298 PolarHBondContact O-N 2.86Å; K296-S298 VanDerWaalsContact C-N 3.35Å; K296-S298 PolarHBondContact O-N 3.34Å; S298-V300 PolarHBondContact O-N 3.14Å
299S52.6Low59.1Low80 Ų8074.3 Ų74.356%0.55941%0.411SS*.EExtended strand (participates in β ladder)trans-67.1126.7168.249.20000109.2
300V66.3Low59.5Low13 Ų1371 Ų718%0.07939%0.394CS..  trans-115.6129178.5-179.90000107.6F236 L240 M295 S298 W302F236-V300 HydrophobicContact CB-CG1 3.8Å; F236-V300 HydrophobicContact CD2-CG1 4.46Å; L240-V300 HydrophobicContact CD2-CG2 3.99Å; M295-V300 HydrophobicContact CB-CG2 3.88Å; M295-V300 HydrophobicContact CG-CG2 3.8Å; S298-V300 PolarHBondContact O-N 3.14Å; V300-W302 HydrophobicContact CB-CZ2 4.08Å; V300-W302 HydrophobicContact CG1-CD2 4.11Å; V300-W302 HydrophobicContact CG1-CH2 4.37Å; V300-W302 HydrophobicContact CG1-CZ2 3.69Å; V300-W302 PolarHBondContact O-NE1 3.48Å
301T64.6Low60.3Low92 Ų9265 Ų6556%0.56436%0.364SS*.EExtended strand (participates in β ladder)trans-87122.7171.640.30000109F236 S237F236-T301 CarbonylContact C-O 3.49Å; F236-T301 VanDerWaalsContact CA-O 3.3Å; F236-T301 WeakPolarHBondContact CA-O 3.38Å; S237-T301 PolarHBondContact N-O 2.94Å; S237-T301 PolarHBondContact O-N 3.43Å; S237-T301 PolarHBondContact O-OG1 2.87Å; S237-T301 PolarHBondContact OG-OG1 3.19Å
302W68.9Low61Low37 Ų3769 Ų6914%0.1437%0.372CS..EExtended strand (participates in β ladder)trans-108130.8-179.8-57.789.9000108.9L234 F236 F248 F252 L272 F282 L293 M295 V300L234-W302 HydrophobicContact CD2-CD2 4.49Å; L234-W302 HydrophobicContact CD2-CE3 3.52Å; L234-W302 HydrophobicContact CD2-CZ3 3.95Å; L234-W302 HydrophobicContact CG-CE3 3.97Å; F236-W302 HydrophobicContact CB-CD2 4.09Å; F236-W302 HydrophobicContact CB-CE3 3.52Å; F236-W302 HydrophobicContact CB-CH2 4.11Å; F236-W302 HydrophobicContact CB-CZ3 3.54Å; F236-W302 AromaticContact CD1-CZ3 3.95Å; F236-W302 HydrophobicContact CD1-CZ3 3.95Å; F236-W302 HydrophobicContact CG-CE3 4.41Å; F236-W302 HydrophobicContact CG-CH2 4.34Å; F236-W302 AromaticContact CG-CZ3 3.95Å; F236-W302 HydrophobicContact CG-CZ3 3.95Å; F248-W302 HydrophobicContact CD1-CH2 4.15Å; F248-W302 AromaticContact CE1-CH2 3.98Å; F248-W302 HydrophobicContact CE1-CH2 3.98Å; F252-W302 AromaticContact CE2-CH2 3.74Å; F252-W302 HydrophobicContact CE2-CH2 3.74Å; F252-W302 AromaticContact CE2-CZ3 3.91Å; F252-W302 HydrophobicContact CE2-CZ3 3.91Å; F252-W302 HydrophobicContact CZ-CE3 4.39Å; F252-W302 HydrophobicContact CZ-CH2 4Å; F252-W302 AromaticContact CZ-CZ3 3.87Å; F252-W302 HydrophobicContact CZ-CZ3 3.87Å; L272-W302 HydrophobicContact CD1-CH2 4.45Å; L272-W302 HydrophobicContact CD1-CZ3 3.85Å; F282-W302 HydrophobicContact CD2-CB 4.05Å; F282-W302 HydrophobicContact CD2-CG 4.3Å; F282-W302 HydrophobicContact CE2-CB 3.18Å; F282-W302 AromaticContact CE2-CD1 3.91Å; F282-W302 HydrophobicContact CE2-CD2 4.14Å; F282-W302 AromaticContact CE2-CG 3.44Å; F282-W302 HydrophobicContact CE2-CG 3.44Å; F282-W302 VanDerWaalsContact CE2-CG 3.44Å; F282-W302 HydrophobicContact CZ-CB 3.5Å; F282-W302 VanDerWaalsContact CZ-CB 3.5Å; F282-W302 HydrophobicContact CZ-CG 4.12Å; L293-W302 HydrophobicContact CD2-CH2 4.32Å; L293-W302 HydrophobicContact CD2-CZ2 3.52Å; L293-W302 PolarHBondContact O-NE1 3.26Å; L293-W302 VanDerWaalsContact O-NE1 3.11Å; M295-W302 HydrophobicContact CG-CZ2 4.06Å; M295-W302 HydrophobicContact SD-CZ2 4.38Å; V300-W302 HydrophobicContact CB-CZ2 4.08Å; V300-W302 HydrophobicContact CG1-CD2 4.11Å; V300-W302 HydrophobicContact CG1-CH2 4.37Å; V300-W302 HydrophobicContact CG1-CZ2 3.69Å; V300-W302 PolarHBondContact O-NE1 3.48Å
303Q70.9Confident61.8Low112 Ų11266.7 Ų66.752%0.52336%0.362SS..EExtended strand (participates in β ladder)trans-130.3117.9178.6-174.6177.30.300108.5K235 L305K235-Q303 PolarHBondContact N-O 3.29Å; K235-Q303 PolarHBondContact O-N 3.4Å; Q303-L305 PolarHBondContact O-N 2.93Å
304V68.4Low62.3Low37 Ų3766.4 Ų66.422%0.22436%0.36CS..EExtended strand (participates in β ladder)trans-68.9124.1167.9-178.40000107L234 K279 F282 E306L234-V304 HydrophobicContact CD1-CB 4.48Å; L234-V304 HydrophobicContact CD1-CG2 3.77Å; K279-V304 HydrophobicContact CD-CG1 4.48Å; K279-V304 HydrophobicContact CG-CB 4.48Å; K279-V304 HydrophobicContact CG-CG1 3.68Å; K279-V304 HydrophobicContact CG-CG2 4.19Å; F282-V304 HydrophobicContact CD1-CG2 4.2Å; V304-E306 HydrophobicContact CG1-CG 3.92Å
305L60.7Low63Low9 Ų965.6 Ų65.65%0.04736%0.357CS..  trans-91.4129.2173.9-67.6177.7000108L233 K235 Q303 E310 M313L233-L305 PolarHBondContact O-N 2.94Å; K235-L305 HydrophobicContact CB-CD1 3.84Å; K235-L305 HydrophobicContact CB-CD2 4.38Å; K235-L305 HydrophobicContact CB-CG 3.9Å; K235-L305 HydrophobicContact CD-CD1 4.4Å; Q303-L305 PolarHBondContact O-N 2.93Å; L305-E310 HydrophobicContact CB-CB 4.3Å; L305-E310 VanDerWaalsContact O-CD 3.32Å; L305-M313 HydrophobicContact CD1-CG 4.45Å
306E60Low63.9Low107 Ų10771.1 Ų71.150%0.538%0.38SS..  trans-134146.6177.3-56.8-159.3113.700110.4K279 V304K279-E306 WeakPolarHBondContact CE-OE1 3.43Å; K279-E306 VanDerWaalsContact CE-OE2 3.32Å; K279-E306 WeakPolarHBondContact CE-OE2 3.45Å; K279-E306 IonicContact NZ-OE1 2.66Å; K279-E306 PolarHBondContact NZ-OE1 2.85Å; K279-E306 IonicContact NZ-OE2 3.33Å; K279-E306 PolarHBondContact NZ-OE2 3.39Å; V304-E306 HydrophobicContact CG1-CG 3.92Å
307G63.4Low64.7Low37 Ų3765.1 Ų65.138%0.38136%0.355SS..SBendtrans85.2-141.9173.900000113.5E309 E310 K311G307-E309 PolarHBondContact O-N 3.18Å; G307-E310 WeakPolarHBondContact O-CB 3.29Å; G307-E310 PolarHBondContact O-N 2.85Å; G307-K311 PolarHBondContact O-N 2.69Å
308D59.6Low65.7Low128 Ų12862.6 Ų62.668%0.68433%0.325SS*.Hα-helixtrans-67.3-33.6-168.8-63.5-33.8000113.2E310 K311 E312D308-E310 VanDerWaalsContact C-N 3.31Å; D308-E310 PolarHBondContact O-N 2.83Å; D308-K311 PolarHBondContact O-N 3.34Å; D308-E312 PolarHBondContact O-N 3.06Å
309E62.4Low66.4Low127 Ų12764.7 Ų64.759%0.59333%0.33SS*.Hα-helixtrans-66.7-32.8175.2-63.6-175174.900112.3G307 M313G307-E309 PolarHBondContact O-N 3.18Å; E309-M313 WeakPolarHBondContact O-CG 3.49Å; E309-M313 PolarHBondContact O-N 3.03Å
310E66.2Low67.2Low4 Ų463.8 Ų63.82%0.01933%0.327CS..Hα-helixtrans-67.9-46174.6-174.2178.1-163.700110.7G231 C232 L233 L305 G307 D308 E312 M313 L314G231-E310 WeakPolarHBondContact CA-OE1 3.25Å; G231-E310 PolarHBondContact N-OE1 2.95Å; G231-E310 PolarHBondContact N-OE2 3.44Å; C232-E310 PolarHBondContact N-OE1 3.48Å; L233-E310 HydrophobicContact CB-CG 3.99Å; L233-E310 HydrophobicContact CD1-CG 3.53Å; L233-E310 HydrophobicContact CG-CG 4.25Å; L233-E310 PolarHBondContact N-OE1 2.88Å; L305-E310 HydrophobicContact CB-CB 4.3Å; L305-E310 VanDerWaalsContact O-CD 3.32Å; G307-E310 WeakPolarHBondContact O-CB 3.29Å; G307-E310 PolarHBondContact O-N 2.85Å; D308-E310 VanDerWaalsContact C-N 3.31Å; D308-E310 PolarHBondContact O-N 2.83Å; E310-E312 VanDerWaalsContact C-N 3.34Å; E310-E312 PolarHBondContact O-N 2.85Å; E310-M313 PolarHBondContact O-N 2.83Å; E310-L314 WeakPolarHBondContact O-CB 3.36Å; E310-L314 PolarHBondContact O-N 3.33Å
311K64.6Low67.2Low70 Ų7067.9 Ų67.930%0.30435%0.346SS..Hα-helixtrans-62.7-39.3179.1-66.1-175-175.1-164.40112.2D227 T230 G307 D308 K315D227-K311 WeakPolarHBondContact OD1-CE 3.44Å; D227-K311 IonicContact OD1-NZ 2.89Å; D227-K311 PolarHBondContact OD1-NZ 3.43Å; T230-K311 HydrophobicContact CG2-CG 4.3Å; G307-K311 PolarHBondContact O-N 2.69Å; D308-K311 PolarHBondContact O-N 3.34Å; K311-K315 WeakPolarHBondContact O-CB 3.27Å; K311-K315 PolarHBondContact O-N 3.14Å
312E68.5Low67.3Low125 Ų12567.6 Ų67.658%0.58434%0.338SS*.Hα-helixtrans-67.5-42.7176.9-74.4-167.9172.700113D308 E310 K315 K316D308-E312 PolarHBondContact O-N 3.06Å; E310-E312 VanDerWaalsContact C-N 3.34Å; E310-E312 PolarHBondContact O-N 2.85Å; E312-K315 PolarHBondContact O-N 2.77Å; E312-K316 WeakPolarHBondContact O-CG 3.16Å; E312-K316 PolarHBondContact O-N 2.95Å; E312-K316 VanDerWaalsContact O-N 3.16Å
313M66.9Low67.2Low53 Ų5370.8 Ų70.826%0.26135%0.354SS..Hα-helixtrans-69.3-40.2177.6-72-61.8-66.100111.3L305 E309 E310 K315 K316 I317L305-M313 HydrophobicContact CD1-CG 4.45Å; E309-M313 WeakPolarHBondContact O-CG 3.49Å; E309-M313 PolarHBondContact O-N 3.03Å; E310-M313 PolarHBondContact O-N 2.83Å; M313-K315 VanDerWaalsContact C-N 3.35Å; M313-K316 PolarHBondContact O-N 3.17Å; M313-K316 HydrophobicContact SD-CD 4.37Å; M313-I317 WeakPolarHBondContact O-CG1 3.42Å; M313-I317 PolarHBondContact O-N 2.92Å
314L68.1Low67Low1 Ų168.6 Ų68.61%0.00535%0.352CS..Hα-helixtrans-62.9-41.8174.4-170.263000111.5L226 Q229 L233 L273 E310 K316 I317 I318L226-L314 HydrophobicContact CD2-CB 3.81Å; L226-L314 HydrophobicContact CD2-CD2 3.75Å; L226-L314 HydrophobicContact CD2-CG 3.72Å; Q229-L314 HydrophobicContact CB-CD2 3.61Å; L233-L314 HydrophobicContact CD1-CB 3.69Å; L233-L314 HydrophobicContact CD1-CD1 4.02Å; L233-L314 HydrophobicContact CD1-CG 4.36Å; L273-L314 HydrophobicContact CD1-CD1 3.76Å; L273-L314 HydrophobicContact CD2-CD1 4.49Å; E310-L314 WeakPolarHBondContact O-CB 3.36Å; E310-L314 PolarHBondContact O-N 3.33Å; L314-K316 VanDerWaalsContact C-N 3.34Å; L314-K316 PolarHBondContact O-N 2.78Å; L314-I317 PolarHBondContact O-N 3.19Å; L314-I317 VanDerWaalsContact O-N 3.14Å; L314-I318 HydrophobicContact CD1-CD1 4.31Å; L314-I318 HydrophobicContact CD1-CG1 4.43Å; L314-I318 HydrophobicContact CD2-CD1 4.37Å; L314-I318 HydrophobicContact CG-CD1 3.85Å; L314-I318 HydrophobicContact CG-CG1 4.34Å; L314-I318 VanDerWaalsContact O-CG1 3.31Å; L314-I318 WeakPolarHBondContact O-CG1 3.37Å; L314-I318 PolarHBondContact O-N 3.35Å
315K72.4Confident66.9Low94 Ų9473 Ų7341%0.40937%0.365SS..Hα-helixtrans-57.7-45.6175.3-176.6175.6179.2176.20111.6L226 K311 E312 M313 I317 I318 E319L226-K315 HydrophobicContact CD1-CB 4.27Å; L226-K315 HydrophobicContact CD1-CG 4.49Å; L226-K315 HydrophobicContact CD2-CB 4.05Å; K311-K315 WeakPolarHBondContact O-CB 3.27Å; K311-K315 PolarHBondContact O-N 3.14Å; E312-K315 PolarHBondContact O-N 2.77Å; M313-K315 VanDerWaalsContact C-N 3.35Å; K315-I317 VanDerWaalsContact C-N 3.34Å; K315-I317 PolarHBondContact O-N 3.1Å; K315-I318 PolarHBondContact O-N 3.11Å; K315-E319 WeakPolarHBondContact CE-OE1 3.27Å; K315-E319 HydrophobicContact CG-CG 4.45Å; K315-E319 WeakPolarHBondContact CG-OE1 3.35Å; K315-E319 VanDerWaalsContact O-CB 3.31Å; K315-E319 WeakPolarHBondContact O-CB 3.36Å; K315-E319 VanDerWaalsContact O-CG 3.29Å; K315-E319 WeakPolarHBondContact O-CG 3.3Å; K315-E319 PolarHBondContact O-N 3.12Å
316K73.9Confident67.1Low122 Ų12277.3 Ų77.353%0.5339%0.388SS..Hα-helixtrans-62-39.6175.6-70.7171.3-174.6164.60112.4E312 M313 L314 A320E312-K316 WeakPolarHBondContact O-CG 3.16Å; E312-K316 PolarHBondContact O-N 2.95Å; E312-K316 VanDerWaalsContact O-N 3.16Å; M313-K316 PolarHBondContact O-N 3.17Å; M313-K316 HydrophobicContact SD-CD 4.37Å; L314-K316 VanDerWaalsContact C-N 3.34Å; L314-K316 PolarHBondContact O-N 2.78Å; K316-A320 VanDerWaalsContact O-CB 3.27Å; K316-A320 WeakPolarHBondContact O-CB 3.45Å; K316-A320 PolarHBondContact O-N 3.35Å
317I71.4Confident67.4Low10 Ų1080.6 Ų80.65%0.05140%0.396CS..Hα-helixtrans-68.2-45178.3-67.2166.3000111L233 W260 D262 M313 L314 K315 A320 Q321L233-I317 HydrophobicContact CD2-CD1 3.86Å; W260-I317 HydrophobicContact CG-CG2 4.37Å; D262-I317 HydrophobicContact CB-CD1 4.5Å; M313-I317 WeakPolarHBondContact O-CG1 3.42Å; M313-I317 PolarHBondContact O-N 2.92Å; L314-I317 PolarHBondContact O-N 3.19Å; L314-I317 VanDerWaalsContact O-N 3.14Å; K315-I317 VanDerWaalsContact C-N 3.34Å; K315-I317 PolarHBondContact O-N 3.1Å; I317-A320 PolarHBondContact O-N 3.32Å; I317-Q321 WeakPolarHBondContact O-CB 3.33Å; I317-Q321 PolarHBondContact O-N 2.93Å
318I72.8Confident67.1Low16 Ų1682.4 Ų82.48%0.08240%0.403CS..Hα-helixtrans-66.5-42.5178.3-62.6170.9000110.7M222 L226 L314 K315 Q321 Q322M222-I318 HydrophobicContact CE-CB 4.18Å; M222-I318 HydrophobicContact CE-CG2 3.49Å; M222-I318 VanDerWaalsContact CE-CG2 3.49Å; M222-I318 HydrophobicContact SD-CG2 4.01Å; L226-I318 HydrophobicContact CD2-CD1 3.89Å; L226-I318 HydrophobicContact CG-CD1 4.41Å; L314-I318 HydrophobicContact CD1-CD1 4.31Å; L314-I318 HydrophobicContact CD1-CG1 4.43Å; L314-I318 HydrophobicContact CD2-CD1 4.37Å; L314-I318 HydrophobicContact CG-CD1 3.85Å; L314-I318 HydrophobicContact CG-CG1 4.34Å; L314-I318 VanDerWaalsContact O-CG1 3.31Å; L314-I318 WeakPolarHBondContact O-CG1 3.37Å; L314-I318 PolarHBondContact O-N 3.35Å; K315-I318 PolarHBondContact O-N 3.11Å; I318-Q321 PolarHBondContact O-N 2.88Å; I318-Q322 HydrophobicContact CG2-CG 4.4Å; I318-Q322 WeakPolarHBondContact O-CB 2.86Å; I318-Q322 WeakPolarHBondContact O-CG 3.26Å; I318-Q322 PolarHBondContact O-N 3.39Å
319E70.8Confident66.9Low85 Ų8582.5 Ų82.540%0.39740%0.397SS..Hα-helixtrans-61-45.6174.9-77175.9-175.600111.3K315 Q321 Q322 E323K315-E319 WeakPolarHBondContact CE-OE1 3.27Å; K315-E319 HydrophobicContact CG-CG 4.45Å; K315-E319 WeakPolarHBondContact CG-OE1 3.35Å; K315-E319 VanDerWaalsContact O-CB 3.31Å; K315-E319 WeakPolarHBondContact O-CB 3.36Å; K315-E319 VanDerWaalsContact O-CG 3.29Å; K315-E319 WeakPolarHBondContact O-CG 3.3Å; K315-E319 PolarHBondContact O-N 3.12Å; E319-Q321 VanDerWaalsContact C-N 3.31Å; E319-Q321 PolarHBondContact O-N 3.31Å; E319-Q322 PolarHBondContact O-N 2.89Å; E319-E323 WeakPolarHBondContact O-CB 3.36Å; E319-E323 WeakPolarHBondContact O-CG 3.32Å; E319-E323 PolarHBondContact O-N 2.87Å
320A69.8Low66.3Low60 Ų6079.1 Ų79.150%0.49640%0.396SS..Hα-helixtrans-62.2-38175.700000112.3K316 I317 S324K316-A320 VanDerWaalsContact O-CB 3.27Å; K316-A320 WeakPolarHBondContact O-CB 3.45Å; K316-A320 PolarHBondContact O-N 3.35Å; I317-A320 PolarHBondContact O-N 3.32Å; A320-S324 WeakPolarHBondContact O-CB 3.43Å; A320-S324 PolarHBondContact O-N 3.27Å
321Q66.8Low65.5Low99 Ų9990 Ų9046%0.46344%0.437SS..Hα-helixtrans-67.3-47.1176-168.9177.31800111.5I317 I318 E319 S324 Y325I317-Q321 WeakPolarHBondContact O-CB 3.33Å; I317-Q321 PolarHBondContact O-N 2.93Å; I318-Q321 PolarHBondContact O-N 2.88Å; E319-Q321 VanDerWaalsContact C-N 3.31Å; E319-Q321 PolarHBondContact O-N 3.31Å; Q321-S324 PolarHBondContact O-N 3.32Å; Q321-S324 PolarHBondContact O-OG 3.45Å; Q321-Y325 WeakPolarHBondContact O-CB 3.32Å; Q321-Y325 PolarHBondContact O-N 3.19Å
322Q66.5Low64.6Low87 Ų8790.2 Ų90.241%0.40746%0.459SS..Hα-helixtrans-62.8-41.1176-77.1-174.9-5.500111.9M222 I318 E319 S324 Y325 N326M222-Q322 PolarHBondContact SD-NE2 3.18Å; I318-Q322 HydrophobicContact CG2-CG 4.4Å; I318-Q322 WeakPolarHBondContact O-CB 2.86Å; I318-Q322 WeakPolarHBondContact O-CG 3.26Å; I318-Q322 PolarHBondContact O-N 3.39Å; E319-Q322 PolarHBondContact O-N 2.89Å; Q322-S324 PolarHBondContact O-N 3.39Å; Q322-Y325 PolarHBondContact O-N 2.92Å; Q322-N326 VanDerWaalsContact O-CB 3.25Å; Q322-N326 WeakPolarHBondContact O-CB 3.45Å; Q322-N326 PolarHBondContact O-N 2.98Å; Q322-N326 PolarHBondContact O-ND2 3.19Å
323E67.4Low63.5Low103 Ų10387.4 Ų87.448%0.48146%0.463SS..Hα-helixtrans-61.6-43.9174.6-82.4-163.6-170.200112.2E319 Y325 N326 R327E319-E323 WeakPolarHBondContact O-CB 3.36Å; E319-E323 WeakPolarHBondContact O-CG 3.32Å; E319-E323 PolarHBondContact O-N 2.87Å; E323-Y325 VanDerWaalsContact C-N 3.34Å; E323-N326 PolarHBondContact O-N 3.34Å; E323-R327 WeakPolarHBondContact O-CB 3.17Å; E323-R327 VanDerWaalsContact O-CG 3.26Å; E323-R327 WeakPolarHBondContact O-CG 3.28Å; E323-R327 PolarHBondContact O-N 3.49Å; E323-R327 IonicContact OE2-CZ 2.79Å; E323-R327 IonicContact OE2-NH2 2.86Å; E323-R327 PolarHBondContact OE2-NH2 2.84Å
324S66.3Low62.4Low66 Ų6696.6 Ų96.646%0.46250%0.495SS..Hα-helixtrans-63.8-41177.177.80000111.6A320 Q321 Q322 R327 S328A320-S324 WeakPolarHBondContact O-CB 3.43Å; A320-S324 PolarHBondContact O-N 3.27Å; Q321-S324 PolarHBondContact O-N 3.32Å; Q321-S324 PolarHBondContact O-OG 3.45Å; Q322-S324 PolarHBondContact O-N 3.39Å; S324-R327 PolarHBondContact O-N 3.28Å; S324-S328 PolarHBondContact O-N 3.41Å
325Y65.4Low61.5Low130 Ų13099.7 Ų99.751%0.5153%0.527SS..Hα-helixtrans-65.6-44.2176.3-174.8-99.6000111.5Q321 Q322 E323 S328 K329Q321-Y325 WeakPolarHBondContact O-CB 3.32Å; Q321-Y325 PolarHBondContact O-N 3.19Å; Q322-Y325 PolarHBondContact O-N 2.92Å; E323-Y325 VanDerWaalsContact C-N 3.34Å; Y325-S328 PolarHBondContact O-N 3.39Å; Y325-S328 PolarHBondContact O-OG 2.84Å; Y325-K329 HydrophobicContact CE1-CD 3.8Å; Y325-K329 HydrophobicContact CE1-CG 4.49Å; Y325-K329 PolarHBondContact O-N 3.47Å; Y325-K329 VanDerWaalsContact OH-CE 3.31Å; Y325-K329 WeakPolarHBondContact OH-CE 2.86Å; Y325-K329 PolarHBondContact OH-NZ 2.88Å
326N65.7Low60.2Low99 Ų99107.2 Ų107.253%0.52955%0.553SS.*Hα-helixtrans-66.1-38.6177.2-73.2-21.7000112.2Q322 E323 S328 K329 G330Q322-N326 VanDerWaalsContact O-CB 3.25Å; Q322-N326 WeakPolarHBondContact O-CB 3.45Å; Q322-N326 PolarHBondContact O-N 2.98Å; Q322-N326 PolarHBondContact O-ND2 3.19Å; E323-N326 PolarHBondContact O-N 3.34Å; N326-S328 VanDerWaalsContact C-N 3.31Å; N326-S328 PolarHBondContact O-N 2.89Å; N326-K329 PolarHBondContact O-N 3.15Å; N326-G330 PolarHBondContact O-N 2.7Å
327R66.1Low58.6Low177 Ų177107.8 Ų107.867%0.66857%0.573SS**Hα-helixtrans-64.1-34.7172.1-73.3177.6-155.1-169.99.1112E323 S324E323-R327 WeakPolarHBondContact O-CB 3.17Å; E323-R327 VanDerWaalsContact O-CG 3.26Å; E323-R327 WeakPolarHBondContact O-CG 3.28Å; E323-R327 PolarHBondContact O-N 3.49Å; E323-R327 IonicContact OE2-CZ 2.79Å; E323-R327 IonicContact OE2-NH2 2.86Å; E323-R327 PolarHBondContact OE2-NH2 2.84Å; S324-R327 PolarHBondContact O-N 3.28Å
328S58.2Low57.1Low74 Ų74111.1 Ų111.152%0.51761%0.609SS.*Hα-helixtrans-70.4-42.9175.985.50000112.4S324 Y325 N326 G330 R331S324-S328 PolarHBondContact O-N 3.41Å; Y325-S328 PolarHBondContact O-N 3.39Å; Y325-S328 PolarHBondContact O-OG 2.84Å; N326-S328 VanDerWaalsContact C-N 3.31Å; N326-S328 PolarHBondContact O-N 2.89Å; S328-G330 PolarHBondContact O-N 2.97Å; S328-R331 PolarHBondContact O-N 2.55Å
329K53.6Low55.6Low131 Ų131113.8 Ų113.857%0.5764%0.641SS**Hα-helixtrans-66.4-35174.5-97.2-174.6173.1172.50112.5Y325 N326 R331 G332Y325-K329 HydrophobicContact CE1-CD 3.8Å; Y325-K329 HydrophobicContact CE1-CG 4.49Å; Y325-K329 PolarHBondContact O-N 3.47Å; Y325-K329 VanDerWaalsContact OH-CE 3.31Å; Y325-K329 WeakPolarHBondContact OH-CE 2.86Å; Y325-K329 PolarHBondContact OH-NZ 2.88Å; N326-K329 PolarHBondContact O-N 3.15Å; K329-R331 PolarHBondContact O-N 3.03Å; K329-G332 PolarHBondContact O-N 3.21Å
330G51.4Low54.1Low56 Ų56122 Ų12258%0.57767%0.668SS**Hα-helixtrans-65.4-18.6177.900000115.1N326 S328N326-G330 PolarHBondContact O-N 2.7Å; S328-G330 PolarHBondContact O-N 2.97Å
331R47.9Very low52.5Low233 Ų233122.5 Ų122.588%0.87968%0.679SS**Hα-helixtrans-90.3-15.6176.5-79.8-172.7173.9-173-0.7114.6S328 K329S328-R331 PolarHBondContact O-N 2.55Å; K329-R331 PolarHBondContact O-N 3.03Å
332G46Very low51.2Low73 Ų73130.1 Ų130.175%0.75370%0.704SS**SBendtrans-87.8-6.9179.400000115.7K329K329-G332 PolarHBondContact O-N 3.21Å
333G46.6Very low49.6Very low66 Ų66129.9 Ų129.968%0.6873%0.725SS**SBendtrans-109.49.2-166.700000117
334R44.1Very low48Very low246 Ų246128.6 Ų128.693%0.92874%0.739SS**SBendtrans-112.467.9176-79.5-175.1175.6170.7-0.1110.8
335G47.3Very low46.6Very low66 Ų66136.2 Ų136.268%0.6876%0.758SS**SBendtrans-168.955.1-179.900000114.7
336R46Very low45.2Very low253 Ų253141.2 Ų141.296%0.95578%0.776SS**SBendtrans162.184.5147.1-93.8172.4177.6-175.61.4111.2
337S40.1Very low43.6Very low134 Ų134140.2 Ų140.294%0.93779%0.788SS**  trans-163.279.6140.9-166.70000107.7
338G40.1Very low42.1Very low79 Ų79144 Ų14481%0.81480%0.802SS**SBendtrans-161.498.2176.800000109
339G41.7Very low40.8Very low73 Ų73144.2 Ų144.275%0.75382%0.817SS**  trans94.592.615800000117
340R39.2Very low39.7Very low257 Ų257141.7 Ų141.797%0.9783%0.828SS**  trans-140.489.3132.7-76.4-162.9179.1173-1.1109.8
341G36.5Very low38.8Very low71 Ų71150.9 Ų150.973%0.73285%0.846SS**  trans-79.5153.5147.300000110.2
342R38.2Very low38.2Very low259 Ų259146.8 Ų146.898%0.97784%0.841SS**  trans97.3123.9162.4-66.5-172171.1-171.1-1.9119.6
343G33.5Very low37.7Very low82 Ų82152.3 Ų152.385%0.84585%0.847SS**  trans97.7118.3152.400000112.5
344G34.8Very low37Very low76 Ų76152.6 Ų152.678%0.78485%0.85SS**  cis102.9117.434.700000109.5
345R36.3Very low36.3Very low226 Ų226152.2 Ų152.285%0.85385%0.849SS**  trans90.4111.4165.6-64.6-174.4174.7-169.30120.1
346R35.6Very low35.7Very low235 Ų235155.5 Ų155.589%0.88786%0.856SS**  52.4117122.5-67.3-179175.8171.8-1.6119.1
347G33.5Very low35.1Very low77 Ų77152 Ų15279%0.79485%0.85SS**  115.4121.5110.700000118.2
348R34.5Very low34.9Very low256 Ų256154.8 Ų154.897%0.96685%0.846SS**  trans88.499.7139.5-134.1-179.7-164.9-1703.1118.8
349G29.9Very low34.6Very low80 Ų80159 Ų15983%0.82585%0.845SS**  92.4121.9119.900000118.7
350G30.7Very low34.3Very low78 Ų78157.9 Ų157.980%0.80483%0.833SS**  trans123.6111135.500000118.1
351R32.8Very low34.2Very low249 Ų249155.2 Ų155.294%0.9483%0.828SS**  trans84.393.4138.7-123.3170.4-167.9163.21.8119.7
352D35.6Very low34Very low146 Ų146161.3 Ų161.378%0.78183%0.834SS**  0.1120128-151.1-85.7000117.4
353Q35.7Very low33.9Very low189 Ų189155.4 Ų155.488%0.88383%0.828SS**  trans-166.4111.2131.1-105.117632.600111.2
354G30.8Very low33.8Very low73 Ų73160.5 Ų160.575%0.75383%0.826SS**  trans49.5135.7135.300000122.9
355R30Very low33.5Very low237 Ų237166.8 Ų166.889%0.89483%0.832SS**  trans84.791.5157.6-92.3-179.9175177.9-1.1118.1
356T35.2Very low33.3Very low136 Ų136162.9 Ų162.983%0.83483%0.828SS**  168.3127.796.436.10000109.3F358T356-F358 PolarHBondContact O-N 3.42Å
357Q33.4Very low33.1Very low178 Ų178156.2 Ų156.283%0.83282%0.818SS**  trans-80.693.5-176.2-167.7171.610.900109.5
358F34.3Very low33.3Very low194 Ų194159.4 Ų159.485%0.85182%0.817SS**  trans-88.2103.4168.9-165.3-100.2000108.8T356 G360T356-F358 PolarHBondContact O-N 3.42Å; F358-G360 VanDerWaalsContact C-N 3.25Å; F358-G360 PolarHBondContact O-N 3.25Å
359Q35.5Very low33.1Very low168 Ų168154 Ų15479%0.78581%0.807SS**  trans-73.980.2171-71.1-168.8000109.9K361Q359-K361 PolarHBondContact O-N 3.11Å
360G34.5Very low33.9Very low48 Ų48158.7 Ų158.750%0.49581%0.808SS.*  trans-72.3108.9163.400000109.3F358 K362F358-G360 VanDerWaalsContact C-N 3.25Å; F358-G360 PolarHBondContact O-N 3.25Å; G360-K362 PolarHBondContact O-N 3.41Å
361K36.4Very low34.1Very low201 Ų201161.6 Ų161.687%0.87481%0.805SS**  trans-55.2112.4170.1-74.6-179176.9179.60108.9Q359 T363Q359-K361 PolarHBondContact O-N 3.11Å; K361-T363 PolarHBondContact O-N 2.86Å; K361-T363 VanDerWaalsContact O-N 3.17Å
362K33.3Very low34.8Very low199 Ų199156.9 Ų156.987%0.86580%0.798SS**  trans-64.4108.1164-68.4-176.6178-179.80107.6G360 K364G360-K362 PolarHBondContact O-N 3.41Å; K362-K364 PolarHBondContact O-N 2.82Å
363T35.7Very low34.7Very low136 Ų136156.8 Ų156.883%0.83480%0.798SS**  trans-67.4107.8158.646.10000107.1K361 F365K361-T363 PolarHBondContact O-N 2.86Å; K361-T363 VanDerWaalsContact O-N 3.17Å; T363-F365 PolarHBondContact O-N 2.89Å
364K32.3Very low34.8Very low189 Ų189155.5 Ų155.582%0.82279%0.791SS**  trans-59.7129161.2-75.5178.1176.3177.30106.8K362 D366K362-K364 PolarHBondContact O-N 2.82Å; K364-D366 PolarHBondContact O-N 3.47Å
365F27.5Very low34.9Very low207 Ų207154.9 Ų154.991%0.90879%0.785SS**  trans-74.1103.6161.2-155.4-95.6000104.4T363T363-F365 PolarHBondContact O-N 2.89Å
366D31.5Very low35.1Very low144 Ų144148.4 Ų148.477%0.7778%0.783SS**  trans-72.9129.7171.3-126.8-41000107.6K364K364-D366 PolarHBondContact O-N 3.47Å
367S32Very low35Very low95 Ų95151.2 Ų151.266%0.66479%0.786SS**  trans-60.5140.8177.5-177.80000109N369S367-N369 PolarHBondContact O-N 3.04Å
368D36.9Very low35.1Very low144 Ų144146.9 Ų146.977%0.7778%0.781SS**  trans-45.6102.8171.3-141.1-1.2000110
369N31.9Very low35.2Very low144 Ų144143.5 Ų143.577%0.7778%0.778SS**  trans-108.9101.9165.9-115-10.6000105.8S367 D371S367-N369 PolarHBondContact O-N 3.04Å; N369-D371 PolarHBondContact O-N 3.1Å
370E46.3Very low35.1Very low178 Ų178145.6 Ų145.683%0.83279%0.785SS**  trans-68.883169.4-69.4-171.7140.800109.3
371D34.7Very low34.9Very low139 Ų139154.8 Ų154.874%0.74380%0.804SS**  trans-123.7120.5157-86.7-48.7000108.1N369 D373N369-D371 PolarHBondContact O-N 3.1Å; D371-D373 PolarHBondContact O-N 3.2Å
372D46.9Very low34.7Very low149 Ų149154.1 Ų154.180%0.79780%0.804SS**  trans-63.580.4170.3-83.6-52.7000109.1
373D34Very low34.7Very low145 Ų145152.9 Ų152.978%0.77581%0.806SS**  trans-108.487.5163.1-156.875.4000108D371 G375D371-D373 PolarHBondContact O-N 3.2Å; D373-G375 PolarHBondContact O-N 2.85Å
374E37.8Very low34.6Very low161 Ų161155.1 Ų155.175%0.75281%0.807SS**  trans-66101.5164-79.7-171.6162.300107.6A376E374-A376 PolarHBondContact O-N 2.99Å
375G32.4Very low34.6Very low60 Ų60154.1 Ų154.162%0.61981%0.811SS**  trans-50.4131.5177.500000112.5D373 E377D373-G375 PolarHBondContact O-N 2.85Å; G375-E377 PolarHBondContact O-N 2.7Å
376A34.5Very low34.9Very low102 Ų102149.2 Ų149.284%0.84381%0.809SS**  trans-60.9122.2175.800000112.1E374E374-A376 PolarHBondContact O-N 2.99Å
377E32.6Very low34.9Very low194 Ų194150.4 Ų150.491%0.90782%0.815SS**  trans-78.9111.4153.8-81.1-173.9153.200108.3G375G375-E377 PolarHBondContact O-N 2.7Å
378A36.7Very low35.1Very low87 Ų87148.5 Ų148.572%0.71981%0.811SS**  trans-68.4138.717100000110.2K380A378-K380 PolarHBondContact O-N 2.81Å
379P35.9Very low35Very low123 Ų123147.5 Ų147.580%0.79981%0.812SS**  trans-70.5131.5174.628.8-30.9000109.6R381P379-R381 PolarHBondContact O-N 2.86Å; P379-R381 VanDerWaalsContact O-N 3.15Å
380K33Very low35.1Very low212 Ų212146.8 Ų146.892%0.92282%0.815SS**  trans-58114.9170.6-71.4177.1178.3176.10108.8A378A378-K380 PolarHBondContact O-N 2.81Å
381R30.4Very low34.5Very low241 Ų241143.3 Ų143.391%0.90982%0.817SS**  trans-74132.6162-97.2179.7173.2173.7-3.5108.6P379P379-R381 PolarHBondContact O-N 2.86Å; P379-R381 VanDerWaalsContact O-N 3.15Å
382E32Very low34.4Very low187 Ų187146.2 Ų146.287%0.87482%0.824SS**  trans-60.1139.7169.2-67.7176.9152.700109.9E384E382-E384 PolarHBondContact O-N 3.05Å
383L32.7Very low33.7Very low173 Ų173145.2 Ų145.291%0.90682%0.822SS**  trans-73.6108172.5-85.6131.6000108.1
384E34.3Very low33.9Very low183 Ų183143.9 Ų143.986%0.85582%0.821SS**  trans-88.5130.3157.5-76.3-175.3157.200108.6E382 A386E382-E384 PolarHBondContact O-N 3.05Å; E384-A386 PolarHBondContact O-N 2.79Å
385D33.2Very low34Very low168 Ų168145.6 Ų145.690%0.89883%0.826SS**  trans-56.5121.9-179.5-70-64.5000111.9
386A32.3Very low34.1Very low105 Ų105149.6 Ų149.687%0.86884%0.839SS**  trans-88.3104.2170.800000109.4E384E384-A386 PolarHBondContact O-N 2.79Å
387D33.1Very low34.3Very low168 Ų168153.3 Ų153.390%0.89884%0.839SS**  trans-83.1146.6160.9-149.1-8.2000110
388G35.3Very low34.3Very low56 Ų56151.8 Ų151.858%0.57784%0.837SS**  trans-71.6-177.5-156.300000118.5
389P35.9Very low34.3Very low123 Ų123151 Ų15180%0.79984%0.837SS**PPolyproline II helixtrans-86.1148.8-159.134.2-34.4000113.9
390P33.3Very low34.2Very low128 Ų128154.8 Ų154.883%0.83187%0.866SS**PPolyproline II helixtrans-80.7136.8171.231.6-31.3000111.8
391A33.8Very low34.2Very low106 Ų106151.9 Ų151.988%0.87686%0.864SS**PPolyproline II helixtrans-66.8161.1178.700000113.8
392K32.6Very low34.4Very low200 Ų200147.2 Ų147.287%0.8786%0.861SS**PPolyproline II helixtrans-86.3140.3-172.2-100.4-179.2179.91780113.5
393V32.8Very low34.5Very low127 Ų127145 Ų14577%0.7786%0.861SS**  trans64.2155.3151.3-115.50000118.9
394P37.7Very low34.7Very low117 Ų117143.4 Ų143.476%0.7686%0.858SS**  cis-138.6173.214.737.9-15.5000119.7
395K38.7Very low34.7Very low197 Ų197140.9 Ų140.986%0.85786%0.858SS**  trans-54.7143.5169.7-70.9172.6171.1178.50113.2
396T35.6Very low34.8Very low144 Ų144139.1 Ų139.188%0.88386%0.855SS**  trans-144.4144.1140.843.80000110.6
397E37.9Very low35Very low180 Ų180141.5 Ų141.584%0.84186%0.855SS**  trans-66.3164.7-178.8-66.3166.5125.900115
398N33.3Very low35.1Very low163 Ų163139.5 Ų139.587%0.87285%0.851SS**  trans128.6122154.2-68.6-15.4000109.4
399G35.8Very low35.1Very low69 Ų69146.4 Ų146.471%0.71187%0.874SS**  cis113.28927.600000108
400S33.6Very low35Very low203 Ų203148.5 Ų148.5100%1.4288%0.881SS**  trans166.20147.3-73.40000109.9

Retrieved 400 of 400 residues in 184.4 ms (Link to these results)

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