A0A077ZGT1_TRITR Loading...

Probable histone binding protein Caf1

AlphaFold DB , UniProt , Accession A0A077ZGT1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 387 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
1M52.7Low62.9Low138 Ų13883.5 Ų83.568%0.6844%0.44SS*.  01220-155.9176-77.500107.4E5 I6 E9M1-E5 WeakPolarHBondContact CA-OE2 3.24Å; M1-E5 HydrophobicContact CG-CB 3.39Å; M1-E5 HydrophobicContact CG-CG 4.42Å; M1-E5 WeakPolarHBondContact CG-OE2 3.49Å; M1-E5 HydrophobicContact SD-CB 4.41Å; M1-I6 HydrophobicContact CB-CD1 4.42Å; M1-I6 HydrophobicContact CB-CG1 3.99Å; M1-I6 HydrophobicContact CG-CG1 3.69Å; M1-I6 HydrophobicContact SD-CB 4.36Å; M1-I6 HydrophobicContact SD-CG1 3.5Å; M1-I6 WeakPolarHBondContact SD-CG1 3.35Å; M1-E9 WeakPolarHBondContact CE-OE1 3.45Å
2S70.5Confident63Low57 Ų5777.2 Ų77.240%0.39941%0.407SS..  trans-68.5160.3175.271.60000110.4A4 E5 I6S2-A4 PolarHBondContact O-N 2.74Å; S2-E5 PolarHBondContact N-OE2 2.76Å; S2-E5 PolarHBondContact O-N 2.7Å; S2-E5 WeakPolarHBondContact OG-CG 3.09Å; S2-E5 PolarHBondContact OG-N 3.16Å; S2-E5 VanDerWaalsContact OG-N 3.16Å; S2-I6 PolarHBondContact O-N 3.17Å; S2-I6 VanDerWaalsContact O-N 3.07Å
3M61.9Low63.3Low143 Ų14380.5 Ų80.570%0.70442%0.416SS*.Hα-helixtrans-56.6-39.6176.1-170.4165.4-178.700111.1E5 I6 E7M3-E5 PolarHBondContact O-N 3.05Å; M3-I6 PolarHBondContact O-N 3.06Å; M3-E7 WeakPolarHBondContact CE-OE1 3.43Å; M3-E7 WeakPolarHBondContact CG-OE1 3.28Å; M3-E7 WeakPolarHBondContact O-CB 2.88Å; M3-E7 VanDerWaalsContact O-CG 3.23Å; M3-E7 WeakPolarHBondContact O-CG 3.31Å; M3-E7 PolarHBondContact O-N 2.85Å
4A64.4Low63.5Low63 Ų6381.4 Ų81.452%0.52142%0.417SS..Hα-helixtrans-63.3-37.317500000113.3S2 N8S2-A4 PolarHBondContact O-N 2.74Å; A4-N8 VanDerWaalsContact O-CB 3.29Å; A4-N8 WeakPolarHBondContact O-CB 3.44Å; A4-N8 PolarHBondContact O-N 3.12Å
5E62.5Low63.7Low104 Ų10477.3 Ų77.349%0.48640%0.395SS..Hα-helixtrans-68.7-41.2176.5-76.5164-172.900111.9M1 S2 M3 N8 E9M1-E5 WeakPolarHBondContact CA-OE2 3.24Å; M1-E5 HydrophobicContact CG-CB 3.39Å; M1-E5 HydrophobicContact CG-CG 4.42Å; M1-E5 WeakPolarHBondContact CG-OE2 3.49Å; M1-E5 HydrophobicContact SD-CB 4.41Å; S2-E5 PolarHBondContact N-OE2 2.76Å; S2-E5 PolarHBondContact O-N 2.7Å; S2-E5 WeakPolarHBondContact OG-CG 3.09Å; S2-E5 PolarHBondContact OG-N 3.16Å; S2-E5 VanDerWaalsContact OG-N 3.16Å; M3-E5 PolarHBondContact O-N 3.05Å; E5-N8 WeakPolarHBondContact O-CB 3.46Å; E5-N8 PolarHBondContact O-N 3.18Å; E5-E9 PolarHBondContact O-N 2.99Å
6I60.5Low63.9Low77 Ų7777.4 Ų77.440%0.39539%0.393SS..Hα-helixtrans-63.4-47.5176.5-63.8169.7000110.1M1 S2 M3 N8 E9 E10M1-I6 HydrophobicContact CB-CD1 4.42Å; M1-I6 HydrophobicContact CB-CG1 3.99Å; M1-I6 HydrophobicContact CG-CG1 3.69Å; M1-I6 HydrophobicContact SD-CB 4.36Å; M1-I6 HydrophobicContact SD-CG1 3.5Å; M1-I6 WeakPolarHBondContact SD-CG1 3.35Å; S2-I6 PolarHBondContact O-N 3.17Å; S2-I6 VanDerWaalsContact O-N 3.07Å; M3-I6 PolarHBondContact O-N 3.06Å; I6-N8 VanDerWaalsContact C-N 3.27Å; I6-N8 PolarHBondContact O-N 2.95Å; I6-E9 PolarHBondContact O-N 3.36Å; I6-E10 PolarHBondContact O-N 2.61Å
7E61.9Low64Low80 Ų8081.9 Ų81.937%0.37441%0.412SS..Hα-helixtrans-60-39.2177.2-72.6168.9178.700111.5M3 E10 S11M3-E7 WeakPolarHBondContact CE-OE1 3.43Å; M3-E7 WeakPolarHBondContact CG-OE1 3.28Å; M3-E7 WeakPolarHBondContact O-CB 2.88Å; M3-E7 VanDerWaalsContact O-CG 3.23Å; M3-E7 WeakPolarHBondContact O-CG 3.31Å; M3-E7 PolarHBondContact O-N 2.85Å; E7-E10 PolarHBondContact O-N 2.84Å; E7-S11 WeakPolarHBondContact O-CB 3.01Å; E7-S11 PolarHBondContact O-N 3.36Å; E7-S11 PolarHBondContact O-OG 3.49Å
8N62.9Low64.1Low42 Ų4280.4 Ų80.423%0.22541%0.41CS..Hα-helixtrans-63-48175-163.733.9000111A4 E5 I6 E10 S11 V12 K356A4-N8 VanDerWaalsContact O-CB 3.29Å; A4-N8 WeakPolarHBondContact O-CB 3.44Å; A4-N8 PolarHBondContact O-N 3.12Å; E5-N8 WeakPolarHBondContact O-CB 3.46Å; E5-N8 PolarHBondContact O-N 3.18Å; I6-N8 VanDerWaalsContact C-N 3.27Å; I6-N8 PolarHBondContact O-N 2.95Å; N8-E10 PolarHBondContact O-N 2.81Å; N8-S11 PolarHBondContact O-N 3.27Å; N8-S11 PolarHBondContact O-OG 3.39Å; N8-V12 WeakPolarHBondContact O-CG2 2.93Å; N8-V12 PolarHBondContact O-N 3.04Å; N8-K356 PolarHBondContact ND2-O 2.87Å; N8-K356 VanDerWaalsContact ND2-O 3.17Å
9E66Low64.1Low83 Ų8376.2 Ų76.239%0.38839%0.388SS..Hα-helixtrans-60.3-40.6177.5-75.5-170.4176.500113.5M1 E5 I6 V12 K13M1-E9 WeakPolarHBondContact CE-OE1 3.45Å; E5-E9 PolarHBondContact O-N 2.99Å; I6-E9 PolarHBondContact O-N 3.36Å; E9-V12 PolarHBondContact O-N 2.9Å; E9-K13 WeakPolarHBondContact O-CG 3.28Å; E9-K13 PolarHBondContact O-N 3.03Å
10E66.2Low64Low108 Ų10875.7 Ų75.751%0.50539%0.389SS..Hα-helixtrans-65.3-42.2176.4-73.7-174.8166.300111.8I6 E7 N8 V12 K13 Q14I6-E10 PolarHBondContact O-N 2.61Å; E7-E10 PolarHBondContact O-N 2.84Å; N8-E10 PolarHBondContact O-N 2.81Å; E10-V12 PolarHBondContact O-N 3.5Å; E10-K13 PolarHBondContact O-N 3.11Å; E10-Q14 PolarHBondContact O-N 2.84Å
11S62.3Low64Low23 Ų2379 Ų7916%0.16141%0.406CS..Hα-helixtrans-65.2-36.6177.969.30000113E7 N8 Q14 W15 F337E7-S11 WeakPolarHBondContact O-CB 3.01Å; E7-S11 PolarHBondContact O-N 3.36Å; E7-S11 PolarHBondContact O-OG 3.49Å; N8-S11 PolarHBondContact O-N 3.27Å; N8-S11 PolarHBondContact O-OG 3.39Å; S11-Q14 PolarHBondContact O-N 2.82Å; S11-W15 WeakPolarHBondContact O-CB 3.46Å; S11-W15 PolarHBondContact O-N 3.04Å; S11-F337 WeakPolarHBondContact OG-CD1 3.1Å
12V64.2Low64.6Low8 Ų873.9 Ų73.95%0.04838%0.382CS..Hα-helixtrans-60.8-47.3172.9176.30000110.4N8 E9 E10 Q14 W15 E16 F337 K356N8-V12 WeakPolarHBondContact O-CG2 2.93Å; N8-V12 PolarHBondContact O-N 3.04Å; E9-V12 PolarHBondContact O-N 2.9Å; E10-V12 PolarHBondContact O-N 3.5Å; V12-Q14 VanDerWaalsContact C-N 3.33Å; V12-Q14 PolarHBondContact O-N 3.09Å; V12-W15 PolarHBondContact O-N 3.26Å; V12-E16 HydrophobicContact CG1-CG 4.37Å; V12-E16 WeakPolarHBondContact O-CG 3.46Å; V12-E16 PolarHBondContact O-N 3.35Å; V12-F337 HydrophobicContact CB-CE1 4.1Å; V12-F337 HydrophobicContact CG2-CD1 4.11Å; V12-F337 HydrophobicContact CG2-CE1 3.33Å; V12-F337 HydrophobicContact CG2-CZ 4.02Å; V12-K356 HydrophobicContact CG2-CD 4.19Å; V12-K356 HydrophobicContact CG2-CG 3.64Å
13K67.6Low64.5Low120 Ų12071.6 Ų71.652%0.52237%0.365SS..Hα-helixtrans-62-41.5179.1-72.7173.4-178.6168.20112.1E9 E10 E16 Q17E9-K13 WeakPolarHBondContact O-CG 3.28Å; E9-K13 PolarHBondContact O-N 3.03Å; E10-K13 PolarHBondContact O-N 3.11Å; K13-E16 PolarHBondContact O-N 3.49Å; K13-Q17 WeakPolarHBondContact O-CG 2.75Å; K13-Q17 PolarHBondContact O-N 2.77Å
14Q65.5Low65.1Low93 Ų9366.9 Ų66.944%0.43534%0.343SS..Hα-helixtrans-66.3-41.5177.2-171.3176.18.100111.2E10 S11 V12 Q17 C18E10-Q14 PolarHBondContact O-N 2.84Å; S11-Q14 PolarHBondContact O-N 2.82Å; V12-Q14 VanDerWaalsContact C-N 3.33Å; V12-Q14 PolarHBondContact O-N 3.09Å; Q14-Q17 WeakPolarHBondContact O-CB 3.36Å; Q14-Q17 PolarHBondContact O-N 3.33Å; Q14-C18 PolarHBondContact O-N 3.3Å; Q14-C18 VanDerWaalsContact O-N 3.15Å
15W66.7Low65.9Low21 Ų2164 Ų648%0.0832%0.319CS..Hα-helixtrans-63.1-43.9174.7174.781.1000111.8S11 V12 Q17 C18 S19 Y26 Q352 G353S11-W15 WeakPolarHBondContact O-CB 3.46Å; S11-W15 PolarHBondContact O-N 3.04Å; V12-W15 PolarHBondContact O-N 3.26Å; W15-Q17 PolarHBondContact O-N 2.75Å; W15-C18 CarbonylContact O-C 3.6Å; W15-C18 WeakPolarHBondContact O-CA 3.49Å; W15-C18 PolarHBondContact O-N 2.61Å; W15-S19 VanDerWaalsContact CZ2-CB 3.45Å; W15-S19 WeakPolarHBondContact O-CA 3.34Å; W15-S19 VanDerWaalsContact O-CB 3.32Å; W15-S19 WeakPolarHBondContact O-CB 3.3Å; W15-S19 PolarHBondContact O-N 3.4Å; W15-Y26 AromaticContact CH2-CD1 3.69Å; W15-Y26 HydrophobicContact CH2-CD1 3.69Å; W15-Y26 AromaticContact CH2-CD2 3.46Å; W15-Y26 HydrophobicContact CH2-CD2 3.46Å; W15-Y26 VanDerWaalsContact CH2-CD2 3.46Å; W15-Y26 AromaticContact CH2-CE1 3.47Å; W15-Y26 HydrophobicContact CH2-CE1 3.47Å; W15-Y26 VanDerWaalsContact CH2-CE1 3.47Å; W15-Y26 AromaticContact CH2-CE2 3.27Å; W15-Y26 HydrophobicContact CH2-CE2 3.27Å; W15-Y26 AromaticContact CH2-CG 3.64Å; W15-Y26 HydrophobicContact CH2-CG 3.64Å; W15-Y26 AromaticContact CH2-CZ 3.22Å; W15-Y26 AromaticContact CZ2-CD2 3.99Å; W15-Y26 HydrophobicContact CZ2-CD2 3.99Å; W15-Y26 AromaticContact CZ2-CE2 3.96Å; W15-Y26 HydrophobicContact CZ2-CE2 3.96Å; W15-Y26 HydrophobicContact CZ2-CG 4.39Å; W15-Y26 HydrophobicContact CZ3-CD1 4.22Å; W15-Y26 AromaticContact CZ3-CE1 3.68Å; W15-Y26 HydrophobicContact CZ3-CE1 3.68Å; W15-Y26 HydrophobicContact CZ3-CE2 4.07Å; W15-Y26 AromaticContact CZ3-CZ 3.55Å; W15-Q352 HydrophobicContact CZ2-CG 3.91Å; W15-G353 VanDerWaalsContact CE2-N 3.34Å
16E66.9Low66.9Low79 Ų7959.4 Ų59.437%0.36930%0.297SS..Hα-helixtrans-56-39.2178.3-77.1174.6168.800111.1V12 K13 S19V12-E16 HydrophobicContact CG1-CG 4.37Å; V12-E16 WeakPolarHBondContact O-CG 3.46Å; V12-E16 PolarHBondContact O-N 3.35Å; K13-E16 PolarHBondContact O-N 3.49Å; E16-S19 PolarHBondContact O-N 3.4Å; E16-S19 PolarHBondContact O-OG 3.33Å
17Q65.4Low67.9Low153 Ų15355.8 Ų55.872%0.71528%0.278SS*.Hα-helixtrans-65.3-39.7174.6-68.5172.86.300112.9K13 Q14 W15K13-Q17 WeakPolarHBondContact O-CG 2.75Å; K13-Q17 PolarHBondContact O-N 2.77Å; Q14-Q17 WeakPolarHBondContact O-CB 3.36Å; Q14-Q17 PolarHBondContact O-N 3.33Å; W15-Q17 PolarHBondContact O-N 2.75Å
18C65.4Low69Low55 Ų5553.2 Ų53.237%0.37227%0.269SS..Hα-helixtrans-80.6-19.8177.8-66.60000113.2Q14 W15 V20 L21 L22Q14-C18 PolarHBondContact O-N 3.3Å; Q14-C18 VanDerWaalsContact O-N 3.15Å; W15-C18 CarbonylContact O-C 3.6Å; W15-C18 WeakPolarHBondContact O-CA 3.49Å; W15-C18 PolarHBondContact O-N 2.61Å; C18-V20 PolarHBondContact O-N 3.18Å; C18-L21 WeakPolarHBondContact O-CB 3.48Å; C18-L21 PolarHBondContact O-N 3.32Å; C18-L22 HydrophobicContact CB-CD1 3.99Å; C18-L22 WeakPolarHBondContact O-CG 3.42Å; C18-L22 PolarHBondContact O-N 3.38Å
19S63.9Low70.1Confident0 Ų053 Ų530%027%0.265CS..Hα-helixtrans-60.8-32.4-168.669.10000113W15 E16 L21 L22 N23 V95W15-S19 VanDerWaalsContact CZ2-CB 3.45Å; W15-S19 WeakPolarHBondContact O-CA 3.34Å; W15-S19 VanDerWaalsContact O-CB 3.32Å; W15-S19 WeakPolarHBondContact O-CB 3.3Å; W15-S19 PolarHBondContact O-N 3.4Å; E16-S19 PolarHBondContact O-N 3.4Å; E16-S19 PolarHBondContact O-OG 3.33Å; S19-L21 PolarHBondContact O-N 3.42Å; S19-L22 PolarHBondContact O-N 2.92Å; S19-N23 PolarHBondContact O-N 2.77Å; S19-N23 PolarHBondContact O-ND2 3.22Å; S19-V95 VanDerWaalsContact OG-CG2 3.3Å; S19-V95 WeakPolarHBondContact OG-CG2 3.5Å
20V62.2Low71.2Confident66 Ų6652.6 Ų52.640%0.427%0.272SS..Hα-helixtrans-62.1-29175.6-175.60000112.1C18 V95C18-V20 PolarHBondContact O-N 3.18Å; V20-V95 HydrophobicContact CG2-CG2 3.68Å
21L63.8Low72.3Confident145 Ų14548.2 Ų48.276%0.75925%0.252SS*.Hα-helixtrans-87.9-17177-60.5174.7000112.4C18 S19C18-L21 WeakPolarHBondContact O-CB 3.48Å; C18-L21 PolarHBondContact O-N 3.32Å; S19-L21 PolarHBondContact O-N 3.42Å
22L66Low73.4Confident31 Ų3151.7 Ų51.716%0.16227%0.274CS..Hα-helixtrans-102.5-22.8-171.4-66.2166.1000113C18 S19 F350 V351 V386C18-L22 HydrophobicContact CB-CD1 3.99Å; C18-L22 WeakPolarHBondContact O-CG 3.42Å; C18-L22 PolarHBondContact O-N 3.38Å; S19-L22 PolarHBondContact O-N 2.92Å; L22-F350 HydrophobicContact CB-CD1 4.49Å; L22-F350 HydrophobicContact CD2-CD1 3.85Å; L22-F350 HydrophobicContact CD2-CE1 4.35Å; L22-F350 WeakPolarHBondContact O-CE1 3.48Å; L22-V351 WeakPolarHBondContact CD1-O 3.44Å; L22-V386 WeakPolarHBondContact O-CG2 3.23Å
23N68.7Low74.6Confident9 Ų952.1 Ų52.15%0.04828%0.275CS..EExtended strand (participates in β ladder)trans-131.9132.9-173.9-62.6-85.5000111.4S19 F25 Q352 H384 V386S19-N23 PolarHBondContact O-N 2.77Å; S19-N23 PolarHBondContact O-ND2 3.22Å; N23-F25 WeakPolarHBondContact CB-O 3.43Å; N23-F25 PolarHBondContact O-N 2.95Å; N23-Q352 PolarHBondContact OD1-NE2 3.41Å; N23-Q352 PolarHBondContact OD1-OE1 2.85Å; N23-Q352 VanDerWaalsContact OD1-OE1 3.08Å; N23-H384 WeakPolarHBondContact CA-O 3.5Å; N23-H384 PolarHBondContact OD1-O 2.73Å; N23-V386 VanDerWaalsContact C-CG2 3.48Å
24D74.8Confident75.7Confident45 Ų4548.6 Ų48.624%0.24126%0.264CS..EExtended strand (participates in β ladder)trans-70.9-14.3162.4-79.7-3.5000110.2K80 L93 H384 V386D24-K80 IonicContact OD2-NZ 3.86Å; D24-K80 PolarHBondContact OD2-NZ 2.76Å; D24-L93 WeakPolarHBondContact O-CB 3.38Å; D24-H384 HydrophobicContact CB-CB 4.35Å; D24-H384 VanDerWaalsContact CB-ND1 3.35Å; D24-H384 WeakPolarHBondContact CB-ND1 3.46Å; D24-H384 PolarHBondContact N-O 2.92Å; D24-H384 IonicContact OD2-CE1 3.96Å; D24-H384 PolarHBondContact OD2-CE1 3.32Å; D24-H384 IonicContact OD2-ND1 3.42Å; D24-V386 VanDerWaalsContact N-CG2 3.29Å
25F81.4Confident76.9Confident3 Ų344.1 Ų44.11%0.01324%0.243CC..EExtended strand (participates in β ladder)trans-159.8136174.8-178.1-100.1000110N23 L93 P111 F371 V382 W383 H384N23-F25 WeakPolarHBondContact CB-O 3.43Å; N23-F25 PolarHBondContact O-N 2.95Å; F25-L93 HydrophobicContact CB-CD2 4.19Å; F25-L93 HydrophobicContact CD2-CB 4.45Å; F25-L93 HydrophobicContact CD2-CD2 3.57Å; F25-L93 HydrophobicContact CE2-CD2 4.4Å; F25-L93 HydrophobicContact CG-CD2 4.3Å; F25-P111 HydrophobicContact CZ-CB 4.32Å; F25-F371 HydrophobicContact CB-CE2 4.03Å; F25-F371 HydrophobicContact CD1-CE1 4.46Å; F25-F371 AromaticContact CD1-CE2 3.67Å; F25-F371 HydrophobicContact CD1-CE2 3.67Å; F25-F371 AromaticContact CD1-CZ 3.34Å; F25-F371 HydrophobicContact CD1-CZ 3.34Å; F25-F371 HydrophobicContact CE1-CE2 4.42Å; F25-F371 AromaticContact CE1-CZ 3.69Å; F25-F371 HydrophobicContact CE1-CZ 3.69Å; F25-F371 HydrophobicContact CG-CE2 4.03Å; F25-F371 HydrophobicContact CG-CZ 4.11Å; F25-V382 HydrophobicContact CD1-CG1 4.21Å; F25-V382 HydrophobicContact CE1-CB 4.37Å; F25-V382 HydrophobicContact CE1-CG1 3.82Å; F25-W383 CarbonylContact O-C 3.47Å; F25-W383 VanDerWaalsContact O-CA 3.25Å; F25-W383 WeakPolarHBondContact O-CA 3.43Å; F25-H384 HydrophobicContact CB-CB 3.86Å; F25-H384 PolarHBondContact O-N 2.88Å
26Y82.2Confident78.1Confident7 Ų743.6 Ų43.63%0.02724%0.244CC..EExtended strand (participates in β ladder)trans-144.2137.3166.5177.2-92.8000110.9W15 V95 L96 G354 H381 V382 W383W15-Y26 AromaticContact CH2-CD1 3.69Å; W15-Y26 HydrophobicContact CH2-CD1 3.69Å; W15-Y26 AromaticContact CH2-CD2 3.46Å; W15-Y26 HydrophobicContact CH2-CD2 3.46Å; W15-Y26 VanDerWaalsContact CH2-CD2 3.46Å; W15-Y26 AromaticContact CH2-CE1 3.47Å; W15-Y26 HydrophobicContact CH2-CE1 3.47Å; W15-Y26 VanDerWaalsContact CH2-CE1 3.47Å; W15-Y26 AromaticContact CH2-CE2 3.27Å; W15-Y26 HydrophobicContact CH2-CE2 3.27Å; W15-Y26 AromaticContact CH2-CG 3.64Å; W15-Y26 HydrophobicContact CH2-CG 3.64Å; W15-Y26 AromaticContact CH2-CZ 3.22Å; W15-Y26 AromaticContact CZ2-CD2 3.99Å; W15-Y26 HydrophobicContact CZ2-CD2 3.99Å; W15-Y26 AromaticContact CZ2-CE2 3.96Å; W15-Y26 HydrophobicContact CZ2-CE2 3.96Å; W15-Y26 HydrophobicContact CZ2-CG 4.39Å; W15-Y26 HydrophobicContact CZ3-CD1 4.22Å; W15-Y26 AromaticContact CZ3-CE1 3.68Å; W15-Y26 HydrophobicContact CZ3-CE1 3.68Å; W15-Y26 HydrophobicContact CZ3-CE2 4.07Å; W15-Y26 AromaticContact CZ3-CZ 3.55Å; Y26-V95 HydrophobicContact CD1-CG1 3.99Å; Y26-L96 PolarHBondContact O-N 3.42Å; Y26-G354 WeakPolarHBondContact OH-CA 3.16Å; Y26-H381 HydrophobicContact CE2-CB 4.48Å; Y26-H381 AromaticContact CE2-ND1 3.71Å; Y26-H381 AromaticContact CZ-ND1 3.49Å; Y26-H381 PolarHBondContact OH-CE1 3.11Å; Y26-H381 PolarHBondContact OH-ND1 3.33Å; Y26-V382 WeakPolarHBondContact CA-O 3.35Å; Y26-W383 HydrophobicContact CD2-CB 4.1Å
27S82.6Confident79.4Confident0 Ų040.2 Ų40.20%023%0.229CC..EExtended strand (participates in β ladder)trans-143.6138.5171.3168.50000109.9P111 H381 V382S27-P111 WeakPolarHBondContact OG-CB 3.42Å; S27-P111 WeakPolarHBondContact OG-CG 3.13Å; S27-H381 CarbonylContact O-C 3.58Å; S27-H381 WeakPolarHBondContact O-CA 3.42Å; S27-V382 PolarHBondContact N-O 2.88Å; S27-V382 PolarHBondContact O-N 3.21Å
28S83.9Confident80.9Confident27 Ų2733 Ų3319%0.18920%0.195CC..EExtended strand (participates in β ladder)trans-115.7147.9166.658.30000110.1
29Y87.4Confident82.3Confident36 Ų3631.5 Ų31.514%0.14118%0.183CC..EExtended strand (participates in β ladder)trans-135.4125.9176.2-176.6-101.7000109.3L31 E98 M112 L114 S379 L380Y29-L31 HydrophobicContact CD1-CD2 3.74Å; Y29-L31 HydrophobicContact CD1-CG 4.25Å; Y29-L31 HydrophobicContact CE1-CD2 3.84Å; Y29-L31 PolarHBondContact O-N 3.13Å; Y29-E98 WeakPolarHBondContact CA-OE1 3.2Å; Y29-E98 WeakPolarHBondContact CD2-OE1 3.41Å; Y29-E98 WeakPolarHBondContact CE2-OE1 3.07Å; Y29-M112 WeakPolarHBondContact CB-SD 3.4Å; Y29-M112 HydrophobicContact CD1-CG 4.43Å; Y29-M112 HydrophobicContact CD1-SD 3.85Å; Y29-M112 HydrophobicContact CD2-CB 3.92Å; Y29-M112 HydrophobicContact CD2-CG 4.34Å; Y29-M112 HydrophobicContact CG-CB 3.99Å; Y29-M112 HydrophobicContact CG-CG 4.05Å; Y29-M112 HydrophobicContact CG-SD 3.68Å; Y29-L114 HydrophobicContact CE1-CD1 3.97Å; Y29-L114 HydrophobicContact CE1-CG 4.01Å; Y29-S379 VanDerWaalsContact O-CA 3.28Å; Y29-S379 WeakPolarHBondContact O-CA 3.49Å; Y29-L380 PolarHBondContact N-O 3.42Å; Y29-L380 PolarHBondContact O-N 3.28Å
30S88.6Confident83.8Confident75 Ų7532.3 Ų32.352%0.52419%0.186SC..EExtended strand (participates in β ladder)trans-79115.7175.9-76.60000109.1E98S30-E98 PolarHBondContact N-OE1 3.46Å
31L88.1Confident85.3Confident16 Ų1629.5 Ų29.58%0.08417%0.168CC..  trans-79.1142.5-179.9-71.6172.3000110.1Y29 W33 C35 I59 L114 E378 L380Y29-L31 HydrophobicContact CD1-CD2 3.74Å; Y29-L31 HydrophobicContact CD1-CG 4.25Å; Y29-L31 HydrophobicContact CE1-CD2 3.84Å; Y29-L31 PolarHBondContact O-N 3.13Å; L31-W33 WeakPolarHBondContact CB-O 3.42Å; L31-W33 HydrophobicContact CD1-CZ3 4.47Å; L31-W33 PolarHBondContact O-N 2.96Å; L31-W33 VanDerWaalsContact O-N 3.13Å; L31-C35 HydrophobicContact CD1-CB 3.25Å; L31-I59 HydrophobicContact CD1-CD1 4.38Å; L31-I59 HydrophobicContact CD2-CD1 3.62Å; L31-L114 HydrophobicContact CD2-CD1 4.34Å; L31-L114 HydrophobicContact CD2-CD2 4.29Å; L31-E378 PolarHBondContact N-O 2.94Å; L31-L380 HydrophobicContact CD1-CB 4.03Å; L31-L380 HydrophobicContact CG-CB 4.28Å
32P87Confident86.6Confident96 Ų9626 Ų2662%0.62315%0.15SC*.SBendtrans-72.5-2.4179.327-31.4000113.6L114P32-L114 HydrophobicContact CG-CD1 3.81Å
33W89.3Confident87.4Confident18 Ų1825.6 Ų25.67%0.06815%0.153CC..SBendtrans-153.9160.3-178.644.1-102.9000110.3L31 C35 I59 T61 R69 A71L31-W33 WeakPolarHBondContact CB-O 3.42Å; L31-W33 HydrophobicContact CD1-CZ3 4.47Å; L31-W33 PolarHBondContact O-N 2.96Å; L31-W33 VanDerWaalsContact O-N 3.13Å; W33-C35 HydrophobicContact CE3-CB 4.12Å; W33-C35 HydrophobicContact CH2-CB 4.41Å; W33-C35 HydrophobicContact CZ3-CB 3.51Å; W33-C35 PolarHBondContact O-N 2.78Å; W33-I59 HydrophobicContact CH2-CB 4Å; W33-I59 HydrophobicContact CH2-CD1 3.38Å; W33-I59 HydrophobicContact CH2-CG1 3.62Å; W33-I59 HydrophobicContact CZ2-CD1 3.55Å; W33-I59 HydrophobicContact CZ2-CG1 4.01Å; W33-I59 HydrophobicContact CZ3-CD1 4.47Å; W33-T61 HydrophobicContact CD2-CG2 3.96Å; W33-T61 HydrophobicContact CE3-CG2 3.59Å; W33-T61 HydrophobicContact CG-CG2 4.4Å; W33-T61 HydrophobicContact CZ3-CG2 4.08Å; W33-R69 HydrophobicContact CD2-CG 4.44Å; W33-R69 HydrophobicContact CZ2-CG 4.44Å; W33-A71 HydrophobicContact CZ2-CB 4.07Å
34P88.9Confident87.8Confident45 Ų4529 Ų2929%0.29217%0.169SC..  trans-69.8126-178.2-21.234.2000114.3T61 Y62 A377P34-T61 CarbonylContact O-C 3.6Å; P34-T61 VanDerWaalsContact O-CA 3.23Å; P34-T61 WeakPolarHBondContact O-CA 3.3Å; P34-Y62 PolarHBondContact O-N 2.8Å; P34-A377 WeakPolarHBondContact CA-O 3.46Å; P34-A377 WeakPolarHBondContact CB-O 3.4Å
35C91.6Very high87.7Confident0 Ų029.3 Ų29.30%018%0.175CC..EExtended strand (participates in β ladder)trans-106.8128.6-174.5-175.60000112.2L31 W33 V37 G60 Y360 T375L31-C35 HydrophobicContact CD1-CB 3.25Å; W33-C35 HydrophobicContact CE3-CB 4.12Å; W33-C35 HydrophobicContact CH2-CB 4.41Å; W33-C35 HydrophobicContact CZ3-CB 3.51Å; W33-C35 PolarHBondContact O-N 2.78Å; C35-V37 PolarHBondContact SG-O 2.85Å; C35-V37 VanDerWaalsContact SG-O 3.33Å; C35-G60 WeakPolarHBondContact CA-O 3.25Å; C35-G60 PolarHBondContact SG-O 2.85Å; C35-G60 VanDerWaalsContact SG-O 3.36Å; C35-Y360 VanDerWaalsContact O-CD2 3.28Å; C35-Y360 WeakPolarHBondContact O-CD2 3.38Å; C35-T375 VanDerWaalsContact CB-OG1 3.3Å; C35-T375 WeakPolarHBondContact CB-OG1 3.36Å; C35-T375 PolarHBondContact SG-OG1 2.82Å
36G92.6Very high87.2Confident10 Ų1030.7 Ų30.710%0.10319%0.189CC..EExtended strand (participates in β ladder)trans-109.5-17.3-179.600000114.2G60 Y360 D361G36-G60 PolarHBondContact N-O 2.77Å; G36-Y360 WeakPolarHBondContact O-CB 3.36Å; G36-D361 WeakPolarHBondContact O-CB 3.43Å
37V94.4Very high86.4Confident8 Ų835.5 Ų35.55%0.04822%0.22CC..EExtended strand (participates in β ladder)trans-139.1132.7-170.7-178.20000109.3C35 K39 I59 G60 E126 T127C35-V37 PolarHBondContact SG-O 2.85Å; C35-V37 VanDerWaalsContact SG-O 3.33Å; V37-K39 HydrophobicContact CG1-CG 4.34Å; V37-I59 VanDerWaalsContact O-CA 3.3Å; V37-I59 WeakPolarHBondContact O-CA 3.45Å; V37-G60 PolarHBondContact N-O 3.01Å; V37-G60 PolarHBondContact O-N 3.02Å; V37-E126 WeakPolarHBondContact CG1-OE1 3.45Å; V37-T127 HydrophobicContact CB-CG2 4.24Å; V37-T127 HydrophobicContact CG1-CG2 3.7Å
38C95.7Very high85.3Confident0 Ų036.5 Ų36.50%023%0.23CC..EExtended strand (participates in β ladder)trans-142.5127173.565.70000111.2I57 L58 I59 D361 S363 T375 L380C38-I57 HydrophobicContact CB-CG2 4.16Å; C38-L58 CarbonylContact C-O 3.56Å; C38-L58 WeakPolarHBondContact CA-O 3.13Å; C38-I59 HydrophobicContact CB-CG2 4.1Å; C38-D361 PolarHBondContact N-OD2 2.87Å; C38-S363 WeakPolarHBondContact O-CB 3.39Å; C38-T375 HydrophobicContact CB-CG2 4Å; C38-L380 HydrophobicContact CB-CD1 3.92Å
39K96Very high84.4Confident25 Ų2543 Ų4311%0.10926%0.255CS..EExtended strand (participates in β ladder)trans-136132.1-179.2-53.4-75.2166.4136.90109.9V37 I41 I57 L58 E126 L128 D361V37-K39 HydrophobicContact CG1-CG 4.34Å; K39-I41 PolarHBondContact O-N 2.71Å; K39-I57 CarbonylContact O-C 3.59Å; K39-I57 WeakPolarHBondContact O-CA 3.42Å; K39-I57 WeakPolarHBondContact O-CG2 3.36Å; K39-L58 PolarHBondContact N-O 3.37Å; K39-L58 PolarHBondContact O-N 3.06Å; K39-E126 VanDerWaalsContact CE-OE1 3.29Å; K39-E126 WeakPolarHBondContact CE-OE1 3.27Å; K39-E126 VanDerWaalsContact NZ-CD 3.31Å; K39-E126 IonicContact NZ-OE1 3.45Å; K39-E126 PolarHBondContact NZ-OE1 3.27Å; K39-E126 VanDerWaalsContact NZ-OE1 3.16Å; K39-E126 IonicContact NZ-OE2 3.78Å; K39-E126 PolarHBondContact NZ-OE2 3.1Å; K39-L128 HydrophobicContact CD-CD2 3.8Å; K39-L128 HydrophobicContact CG-CD2 3.92Å; K39-D361 WeakPolarHBondContact CE-OD2 3.45Å; K39-D361 IonicContact NZ-OD2 2.76Å
40W95.5Very high83.5Confident17 Ų1752.3 Ų52.36%0.06429%0.29CS..EExtended strand (participates in β ladder)trans-64.1138.8169-73.398.3000110I57 V75 S363 N365 P366 F371 C373 V382W40-I57 HydrophobicContact CD2-CD1 4.38Å; W40-I57 HydrophobicContact CD2-CG1 3.88Å; W40-I57 HydrophobicContact CE3-CD1 4.2Å; W40-I57 HydrophobicContact CE3-CG1 3.52Å; W40-I57 HydrophobicContact CH2-CD1 3.65Å; W40-I57 HydrophobicContact CH2-CG1 3.89Å; W40-I57 HydrophobicContact CZ2-CD1 3.86Å; W40-I57 HydrophobicContact CZ2-CG1 4.24Å; W40-I57 HydrophobicContact CZ3-CD1 3.83Å; W40-I57 HydrophobicContact CZ3-CG1 3.51Å; W40-V75 HydrophobicContact CH2-CB 4.3Å; W40-V75 HydrophobicContact CH2-CG1 4.46Å; W40-V75 HydrophobicContact CH2-CG2 4.12Å; W40-V75 HydrophobicContact CZ3-CB 4.37Å; W40-V75 HydrophobicContact CZ3-CG2 4.23Å; W40-S363 PolarHBondContact N-OG 2.68Å; W40-S363 PolarHBondContact NE1-O 3.4Å; W40-S363 VanDerWaalsContact NE1-O 3.13Å; W40-N365 VanDerWaalsContact CD1-CA 3.49Å; W40-N365 VanDerWaalsContact CD1-N 3.34Å; W40-N365 HydrophobicContact CD2-CB 3.98Å; W40-N365 HydrophobicContact CG-CB 4.04Å; W40-P366 HydrophobicContact CB-CG 4.48Å; W40-F371 AromaticContact CH2-CD1 3.89Å; W40-F371 HydrophobicContact CH2-CD1 3.89Å; W40-F371 AromaticContact CH2-CE1 3.61Å; W40-F371 HydrophobicContact CH2-CE1 3.61Å; W40-F371 AromaticContact CZ2-CD1 3.55Å; W40-F371 HydrophobicContact CZ2-CD1 3.55Å; W40-F371 AromaticContact CZ2-CE1 3.65Å; W40-F371 HydrophobicContact CZ2-CE1 3.65Å; W40-C373 HydrophobicContact CZ2-CB 3.79Å; W40-C373 VanDerWaalsContact NE1-N 3.11Å; W40-C373 PolarHBondContact NE1-SG 3.22Å; W40-C373 VanDerWaalsContact NE1-SG 3.41Å; W40-V382 HydrophobicContact CH2-CG1 3.89Å; W40-V382 HydrophobicContact CH2-CG2 4.29Å; W40-V382 HydrophobicContact CZ2-CG1 3.84Å; W40-V382 HydrophobicContact CZ2-CG2 4.26Å
41I93.3Very high82.9Confident7 Ų750.6 Ų50.64%0.03628%0.284CS..EExtended strand (participates in β ladder)trans-89.1134.1168.4-75.7169.3000107.5K39 S56 L58 I72 Q129 L134K39-I41 PolarHBondContact O-N 2.71Å; I41-S56 PolarHBondContact N-O 2.95Å; I41-L58 HydrophobicContact CD1-CB 3.99Å; I41-L58 HydrophobicContact CG1-CB 4.09Å; I41-I72 HydrophobicContact CD1-CD1 3.52Å; I41-I72 HydrophobicContact CD1-CG1 3.87Å; I41-I72 HydrophobicContact CD1-CG2 4.26Å; I41-Q129 VanDerWaalsContact CG2-OE1 3.28Å; I41-L134 HydrophobicContact CG2-CD2 4.41Å
42D89.6Confident82.6Confident71 Ų7152.2 Ų52.238%0.3829%0.289SS..EExtended strand (participates in β ladder)trans-69.7145.5179.7-164.819.1000111.6L134 P366 N367D42-L134 HydrophobicContact CB-CD2 4.06Å; D42-L134 WeakPolarHBondContact O-CD1 3.3Å; D42-L134 WeakPolarHBondContact O-CD2 3.49Å; D42-P366 HydrophobicContact CB-CG 3.98Å; D42-N367 PolarHBondContact OD1-ND2 2.86Å; D42-N367 PolarHBondContact OD1-OD1 2.71Å
43G83.3Confident82.6Confident22 Ų2248.1 Ų48.123%0.22726%0.263CS..EExtended strand (participates in β ladder)trans86.2151.9-176.600000116S45 N367G43-S45 PolarHBondContact O-N 3.15Å; G43-N367 PolarHBondContact N-ND2 2.63Å
44E77.8Confident82.6Confident81 Ų8148.2 Ų48.238%0.37927%0.266SS..EExtended strand (participates in β ladder)trans-69.2122.3166.6-170.9178-175.100108.8G46 S53 V54 Y55 K79E44-G46 WeakPolarHBondContact CG-O 3.49Å; E44-G46 PolarHBondContact O-N 3.34Å; E44-S53 VanDerWaalsContact CD-OG 3.31Å; E44-S53 VanDerWaalsContact OE1-CA 3.24Å; E44-S53 WeakPolarHBondContact OE1-CA 3.42Å; E44-S53 WeakPolarHBondContact OE1-CB 3.32Å; E44-S53 PolarHBondContact OE1-OG 2.97Å; E44-V54 CarbonylContact C-O 3.58Å; E44-V54 WeakPolarHBondContact CG-O 3.45Å; E44-Y55 HydrophobicContact CB-CE1 4.32Å; E44-K79 IonicContact OE1-NZ 3.84Å
45S72.3Confident82.8Confident52 Ų5247.3 Ų47.336%0.36426%0.256SS..EExtended strand (participates in β ladder)trans-74.3-9.9-179.3-59.60000113.5G43 V54 S56G43-S45 PolarHBondContact O-N 3.15Å; S45-V54 WeakPolarHBondContact CB-O 3.34Å; S45-V54 PolarHBondContact N-O 3.32Å; S45-S56 WeakPolarHBondContact CB-OG 3.49Å; S45-S56 WeakPolarHBondContact OG-CB 3.46Å; S45-S56 PolarHBondContact OG-OG 3.23Å
46G70.1Confident82.9Confident31 Ų3147.4 Ų47.432%0.3226%0.257SS..EExtended strand (participates in β ladder)trans159.9159.4175.300000111.7E44 G48 V54E44-G46 WeakPolarHBondContact CG-O 3.49Å; E44-G46 PolarHBondContact O-N 3.34Å; G46-G48 PolarHBondContact O-N 2.92Å; G46-V54 WeakPolarHBondContact O-CB 3.25Å; G46-V54 PolarHBondContact O-N 3.12Å
47T65.4Low83Confident108 Ų10846.9 Ų46.966%0.66325%0.252SS*.EExtended strand (participates in β ladder)trans-72.7119.516856.20000108.3
48G60.4Low83.1Confident21 Ų2146.6 Ų46.622%0.21625%0.25CS..  trans-64.8-178.8173.300000111.9G46 W52G46-G48 PolarHBondContact O-N 2.92Å; G48-W52 WeakPolarHBondContact CA-O 3.22Å; G48-W52 PolarHBondContact N-O 2.9Å
49F64.4Low83.1Confident164 Ų16446.6 Ų46.672%0.71925%0.25SS*.SBendtrans-54.6149.2167.8-157.1-97.8000109.6G51 W52F49-G51 PolarHBondContact O-N 2.86Å; F49-W52 PolarHBondContact O-N 2.95Å
50R70.3Confident83Confident231 Ų23145.4 Ų45.487%0.87225%0.245SC*.THydrogen-bonded Turntrans-31.9117.8-168.7-76.3-177.8174.3-177.7-1.1113.1
51G75.2Confident82.9Confident39 Ų3944.6 Ų44.640%0.40224%0.242SC..THydrogen-bonded Turntrans97-2.9177.300000115.6F49 K79F49-G51 PolarHBondContact O-N 2.86Å; G51-K79 WeakPolarHBondContact O-CB 3.19Å; G51-K79 PolarHBondContact O-N 3.08Å
52W81.5Confident82.5Confident50 Ų5048 Ų4819%0.18926%0.255CS..EExtended strand (participates in β ladder)trans-116.9148.7-179.3-62.976.6000112.5G48 F49 R76 I77 P78 K79 L96 I108G48-W52 WeakPolarHBondContact CA-O 3.22Å; G48-W52 PolarHBondContact N-O 2.9Å; F49-W52 PolarHBondContact O-N 2.95Å; W52-R76 HydrophobicContact CE3-CB 3.71Å; W52-R76 HydrophobicContact CZ3-CB 4.15Å; W52-R76 WeakPolarHBondContact CZ3-O 3.41Å; W52-I77 WeakPolarHBondContact CA-O 3.45Å; W52-I77 VanDerWaalsContact CE3-C 3.43Å; W52-P78 HydrophobicContact CD2-CG 4.26Å; W52-P78 HydrophobicContact CE3-CB 4.4Å; W52-P78 HydrophobicContact CE3-CG 3.77Å; W52-P78 VanDerWaalsContact CE3-N 3.34Å; W52-P78 HydrophobicContact CH2-CG 3.5Å; W52-P78 HydrophobicContact CZ2-CG 3.96Å; W52-P78 HydrophobicContact CZ3-CB 4.45Å; W52-P78 HydrophobicContact CZ3-CG 3.4Å; W52-K79 WeakPolarHBondContact O-CE 3.43Å; W52-L96 HydrophobicContact CH2-CD1 4.31Å; W52-I108 HydrophobicContact CZ2-CG2 4Å
53S87Confident82.2Confident11 Ų1146 Ų468%0.07725%0.248CC..EExtended strand (participates in β ladder)trans-108.6142.2166.8-80.80000109.7E44 Y55 R76 I77 K79E44-S53 VanDerWaalsContact CD-OG 3.31Å; E44-S53 VanDerWaalsContact OE1-CA 3.24Å; E44-S53 WeakPolarHBondContact OE1-CA 3.42Å; E44-S53 WeakPolarHBondContact OE1-CB 3.32Å; E44-S53 PolarHBondContact OE1-OG 2.97Å; S53-Y55 VanDerWaalsContact CB-CE2 3.5Å; S53-R76 WeakPolarHBondContact O-CA 3.22Å; S53-I77 PolarHBondContact N-O 2.89Å; S53-I77 PolarHBondContact O-N 3.35Å; S53-K79 WeakPolarHBondContact OG-CE 3.4Å
54V90.1Very high82.3Confident20 Ų2048 Ų4812%0.12126%0.262CS..EExtended strand (participates in β ladder)trans-109.4124.3178.1-172.40000109.7E44 S45 G46 K74 V75 R76E44-V54 CarbonylContact C-O 3.58Å; E44-V54 WeakPolarHBondContact CG-O 3.45Å; S45-V54 WeakPolarHBondContact CB-O 3.34Å; S45-V54 PolarHBondContact N-O 3.32Å; G46-V54 WeakPolarHBondContact O-CB 3.25Å; G46-V54 PolarHBondContact O-N 3.12Å; V54-K74 HydrophobicContact CG1-CB 3.95Å; V54-K74 HydrophobicContact CG1-CD 4Å; V54-K74 HydrophobicContact CG1-CG 4.36Å; V54-V75 CarbonylContact C-O 3.58Å; V54-V75 WeakPolarHBondContact CA-O 3.48Å; V54-R76 HydrophobicContact CG2-CG 4.31Å
55Y93.1Very high82.7Confident25 Ų2547.3 Ų47.310%0.09826%0.259CS..EExtended strand (participates in β ladder)trans-113.6161.4173.9-65.2-91.2000109.9E44 S53 K74 V75 I77 N367 I368E44-Y55 HydrophobicContact CB-CE1 4.32Å; S53-Y55 VanDerWaalsContact CB-CE2 3.5Å; Y55-K74 CarbonylContact O-C 3.53Å; Y55-K74 WeakPolarHBondContact O-CA 3.22Å; Y55-V75 PolarHBondContact N-O 3.17Å; Y55-V75 PolarHBondContact O-N 3.23Å; Y55-I77 HydrophobicContact CD2-CB 4.42Å; Y55-I77 HydrophobicContact CD2-CD1 3.44Å; Y55-I77 VanDerWaalsContact CD2-CD1 3.44Å; Y55-I77 HydrophobicContact CD2-CG1 4.03Å; Y55-I77 HydrophobicContact CE2-CB 4.43Å; Y55-I77 HydrophobicContact CE2-CD1 3.83Å; Y55-I77 HydrophobicContact CE2-CG1 4.46Å; Y55-I77 HydrophobicContact CG-CD1 4.23Å; Y55-N367 HydrophobicContact CE1-CB 3.85Å; Y55-I368 HydrophobicContact CD2-CD1 4.27Å; Y55-I368 HydrophobicContact CE1-CD1 4.26Å; Y55-I368 HydrophobicContact CE1-CG1 4.29Å; Y55-I368 HydrophobicContact CE2-CD1 3.55Å; Y55-I368 HydrophobicContact CE2-CG1 4.39Å
56S93.5Very high83.3Confident2 Ų252.8 Ų52.81%0.01428%0.279CS..EExtended strand (participates in β ladder)trans-117.2144.3179.7-67.40000111.4I41 S45 G73 K74I41-S56 PolarHBondContact N-O 2.95Å; S45-S56 WeakPolarHBondContact CB-OG 3.49Å; S45-S56 WeakPolarHBondContact OG-CB 3.46Å; S45-S56 PolarHBondContact OG-OG 3.23Å; S56-G73 CarbonylContact C-O 3.56Å; S56-G73 VanDerWaalsContact CA-O 3.27Å; S56-G73 WeakPolarHBondContact CA-O 3.28Å; S56-K74 VanDerWaalsContact OG-CD 3.28Å; S56-K74 WeakPolarHBondContact OG-CD 3.5Å; S56-K74 PolarHBondContact OG-NZ 3.18Å
57I95Very high84Confident0 Ų053.8 Ų53.80%028%0.281CS..EExtended strand (participates in β ladder)trans-121.7122.9170.4-58.5172.4000107.2C38 K39 W40 I59 I72 G73 V75 M112 C373 L380 V382C38-I57 HydrophobicContact CB-CG2 4.16Å; K39-I57 CarbonylContact O-C 3.59Å; K39-I57 WeakPolarHBondContact O-CA 3.42Å; K39-I57 WeakPolarHBondContact O-CG2 3.36Å; W40-I57 HydrophobicContact CD2-CD1 4.38Å; W40-I57 HydrophobicContact CD2-CG1 3.88Å; W40-I57 HydrophobicContact CE3-CD1 4.2Å; W40-I57 HydrophobicContact CE3-CG1 3.52Å; W40-I57 HydrophobicContact CH2-CD1 3.65Å; W40-I57 HydrophobicContact CH2-CG1 3.89Å; W40-I57 HydrophobicContact CZ2-CD1 3.86Å; W40-I57 HydrophobicContact CZ2-CG1 4.24Å; W40-I57 HydrophobicContact CZ3-CD1 3.83Å; W40-I57 HydrophobicContact CZ3-CG1 3.51Å; I57-I59 HydrophobicContact CG2-CG2 3.76Å; I57-I72 WeakPolarHBondContact O-CA 3.33Å; I57-G73 PolarHBondContact N-O 3.48Å; I57-G73 PolarHBondContact O-N 3.42Å; I57-V75 HydrophobicContact CD1-CG2 3.55Å; I57-V75 HydrophobicContact CG1-CG2 4.05Å; I57-M112 HydrophobicContact CD1-CE 4.26Å; I57-C373 HydrophobicContact CD1-CB 3.64Å; I57-L380 HydrophobicContact CB-CD2 4.49Å; I57-L380 HydrophobicContact CD1-CD2 3.98Å; I57-L380 HydrophobicContact CG2-CD2 4.22Å; I57-V382 HydrophobicContact CD1-CG2 3.67Å
58L95.3Very high85.2Confident1 Ų148.7 Ų48.71%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-77.7124.3167.1-179.158.3000108.3C38 K39 I41 I72 T127 I137C38-L58 CarbonylContact C-O 3.56Å; C38-L58 WeakPolarHBondContact CA-O 3.13Å; K39-L58 PolarHBondContact N-O 3.37Å; K39-L58 PolarHBondContact O-N 3.06Å; I41-L58 HydrophobicContact CD1-CB 3.99Å; I41-L58 HydrophobicContact CG1-CB 4.09Å; L58-I72 HydrophobicContact CD1-CG1 4.2Å; L58-T127 HydrophobicContact CD2-CG2 4.17Å; L58-T127 WeakPolarHBondContact CD2-OG1 3.21Å; L58-T127 HydrophobicContact CG-CG2 4.04Å; L58-I137 HydrophobicContact CD1-CD1 3.97Å; L58-I137 HydrophobicContact CD2-CD1 4.3Å; L58-I137 HydrophobicContact CD2-CG1 4.37Å; L58-I137 HydrophobicContact CD2-CG2 3.89Å
59I95.2Very high86.7Confident0 Ų050.4 Ų50.40%025%0.25CC..EExtended strand (participates in β ladder)trans-124.1148.9178.656.3172.4000110.9L31 W33 V37 C38 I57 I70 A71 L114 L380L31-I59 HydrophobicContact CD1-CD1 4.38Å; L31-I59 HydrophobicContact CD2-CD1 3.62Å; W33-I59 HydrophobicContact CH2-CB 4Å; W33-I59 HydrophobicContact CH2-CD1 3.38Å; W33-I59 HydrophobicContact CH2-CG1 3.62Å; W33-I59 HydrophobicContact CZ2-CD1 3.55Å; W33-I59 HydrophobicContact CZ2-CG1 4.01Å; W33-I59 HydrophobicContact CZ3-CD1 4.47Å; V37-I59 VanDerWaalsContact O-CA 3.3Å; V37-I59 WeakPolarHBondContact O-CA 3.45Å; C38-I59 HydrophobicContact CB-CG2 4.1Å; I57-I59 HydrophobicContact CG2-CG2 3.76Å; I59-I70 CarbonylContact O-C 3.55Å; I59-I70 VanDerWaalsContact O-CA 3.3Å; I59-I70 WeakPolarHBondContact O-CA 3.22Å; I59-A71 HydrophobicContact CD1-CB 4.19Å; I59-A71 HydrophobicContact CG1-CB 3.89Å; I59-A71 WeakPolarHBondContact CG1-O 3.44Å; I59-A71 PolarHBondContact N-O 2.89Å; I59-A71 PolarHBondContact O-N 3.05Å; I59-L114 HydrophobicContact CD1-CD2 3.47Å; I59-L114 VanDerWaalsContact CD1-CD2 3.47Å; I59-L114 HydrophobicContact CG1-CD2 4.48Å; I59-L380 HydrophobicContact CG2-CD2 3.92Å
60G94Very high88.1Confident0 Ų042.6 Ų42.60%022%0.216CC..EExtended strand (participates in β ladder)trans-133.5147.6177.600000111.2C35 G36 V37 R69C35-G60 WeakPolarHBondContact CA-O 3.25Å; C35-G60 PolarHBondContact SG-O 2.85Å; C35-G60 VanDerWaalsContact SG-O 3.36Å; G36-G60 PolarHBondContact N-O 2.77Å; V37-G60 PolarHBondContact N-O 3.01Å; V37-G60 PolarHBondContact O-N 3.02Å; G60-R69 WeakPolarHBondContact CA-O 3.33Å
61T93.4Very high89.1Confident1 Ų131.6 Ų31.61%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-56.6157.2173.437.60000112.9W33 P34 E65 G68 R69W33-T61 HydrophobicContact CD2-CG2 3.96Å; W33-T61 HydrophobicContact CE3-CG2 3.59Å; W33-T61 HydrophobicContact CG-CG2 4.4Å; W33-T61 HydrophobicContact CZ3-CG2 4.08Å; P34-T61 CarbonylContact O-C 3.6Å; P34-T61 VanDerWaalsContact O-CA 3.23Å; P34-T61 WeakPolarHBondContact O-CA 3.3Å; T61-E65 HydrophobicContact CG2-CG 4.35Å; T61-G68 WeakPolarHBondContact OG1-CA 3.34Å; T61-R69 HydrophobicContact CG2-CG 3.54Å; T61-R69 PolarHBondContact N-O 3.01Å; T61-R69 PolarHBondContact OG1-N 2.82Å; T61-R69 PolarHBondContact OG1-O 3.32Å
62Y86.1Confident89.9Confident79 Ų7930 Ų3031%0.3116%0.156SC..  trans-59140.9172.1-175.6-120.5000111.9P34 A64 E65 Y360P34-Y62 PolarHBondContact O-N 2.8Å; Y62-A64 HydrophobicContact CD1-CB 3.58Å; Y62-A64 HydrophobicContact CE1-CB 3.43Å; Y62-A64 VanDerWaalsContact CE1-CB 3.43Å; Y62-A64 PolarHBondContact O-N 3Å; Y62-E65 VanDerWaalsContact O-CB 3.28Å; Y62-E65 WeakPolarHBondContact O-CB 3.45Å; Y62-E65 WeakPolarHBondContact O-CG 3.49Å; Y62-E65 PolarHBondContact O-N 3.43Å; Y62-Y360 HydrophobicContact CD2-CD1 4.18Å; Y62-Y360 HydrophobicContact CD2-CD2 4.14Å; Y62-Y360 HydrophobicContact CD2-CE1 4.02Å; Y62-Y360 AromaticContact CD2-CE2 3.93Å; Y62-Y360 HydrophobicContact CD2-CE2 3.93Å; Y62-Y360 HydrophobicContact CD2-CG 4.25Å; Y62-Y360 AromaticContact CD2-CZ 3.89Å; Y62-Y360 AromaticContact CE2-CD1 3.71Å; Y62-Y360 HydrophobicContact CE2-CD1 3.71Å; Y62-Y360 HydrophobicContact CE2-CD2 4.41Å; Y62-Y360 AromaticContact CE2-CE1 3.34Å; Y62-Y360 HydrophobicContact CE2-CE1 3.34Å; Y62-Y360 HydrophobicContact CE2-CE2 4.07Å; Y62-Y360 HydrophobicContact CE2-CG 4.24Å; Y62-Y360 AromaticContact CE2-CZ 3.54Å; Y62-Y360 AromaticContact CZ-CE1 3.92Å; Y62-Y360 AromaticContact CZ-CZ 3.99Å
63A83.2Confident90.4Very high28 Ų2827.7 Ų27.723%0.23115%0.147CC..THydrogen-bonded Turntrans-60.9-18.9-172.900000114.8E65 S123 L125 R142A63-E65 VanDerWaalsContact C-N 3.34Å; A63-S123 WeakPolarHBondContact O-CB 3.2Å; A63-S123 PolarHBondContact O-OG 3.27Å; A63-L125 HydrophobicContact CB-CD2 3.72Å; A63-R142 PolarHBondContact O-NH2 3.46Å
64A85.6Confident90.6Very high63 Ų6328.9 Ų28.952%0.52115%0.151SC..THydrogen-bonded Turntrans-80.6-13.4175.600000113.5Y62 E66Y62-A64 HydrophobicContact CD1-CB 3.58Å; Y62-A64 HydrophobicContact CE1-CB 3.43Å; Y62-A64 VanDerWaalsContact CE1-CB 3.43Å; Y62-A64 PolarHBondContact O-N 3Å; A64-E66 PolarHBondContact O-N 3.3Å
65E86.7Confident90.7Very high68 Ų6828 Ų2832%0.31815%0.146SC..  trans-68.3125.8176.2-67.1-65.5149.400110.3T61 Y62 A63 S123T61-E65 HydrophobicContact CG2-CG 4.35Å; Y62-E65 VanDerWaalsContact O-CB 3.28Å; Y62-E65 WeakPolarHBondContact O-CB 3.45Å; Y62-E65 WeakPolarHBondContact O-CG 3.49Å; Y62-E65 PolarHBondContact O-N 3.43Å; A63-E65 VanDerWaalsContact C-N 3.34Å; E65-S123 WeakPolarHBondContact O-CA 3.45Å; E65-S123 WeakPolarHBondContact O-CB 3.45Å; E65-S123 PolarHBondContact O-OG 3.06Å
66E83.1Confident90.5Very high167 Ų16730.9 Ų30.978%0.7816%0.156SC*.SBendtrans-72.8-38.3177.9-65.6-175169.800111.4A64 G68 D122A64-E66 PolarHBondContact O-N 3.3Å; E66-G68 PolarHBondContact O-N 3.44Å; E66-D122 CarbonylContact O-C 3.36Å; E66-D122 WeakPolarHBondContact O-CA 3.01Å
67S86.4Confident90.1Very high52 Ų5231.3 Ų31.336%0.36416%0.158SC..SBendtrans-101.972.5175.7-1690000110.4
68G90.6Very high89.4Confident0 Ų032.8 Ų32.80%017%0.168CC..  trans-67.1153.8-179.100000112.7T61 E66 L120 D122T61-G68 WeakPolarHBondContact OG1-CA 3.34Å; E66-G68 PolarHBondContact O-N 3.44Å; G68-L120 PolarHBondContact O-N 3.5Å; G68-D122 WeakPolarHBondContact CA-O 3.41Å; G68-D122 PolarHBondContact N-O 3.09Å
69R91.3Very high88.5Confident58 Ų5837.1 Ų37.122%0.21919%0.187CC..EExtended strand (participates in β ladder)trans-145.4154.6178.668.1-161.667.2172.5-3.8110.4W33 G60 T61 T117 V118 E119W33-R69 HydrophobicContact CD2-CG 4.44Å; W33-R69 HydrophobicContact CZ2-CG 4.44Å; G60-R69 WeakPolarHBondContact CA-O 3.33Å; T61-R69 HydrophobicContact CG2-CG 3.54Å; T61-R69 PolarHBondContact N-O 3.01Å; T61-R69 PolarHBondContact OG1-N 2.82Å; T61-R69 PolarHBondContact OG1-O 3.32Å; R69-T117 HydrophobicContact CB-CG2 3.97Å; R69-T117 HydrophobicContact CG-CG2 3.95Å; R69-V118 WeakPolarHBondContact CA-O 3.25Å; R69-V118 VanDerWaalsContact CB-O 3.28Å; R69-V118 WeakPolarHBondContact CB-O 3.44Å; R69-E119 HydrophobicContact CB-CG 4.36Å
70I93.1Very high87.1Confident0 Ų043.4 Ų43.40%021%0.214CC..EExtended strand (participates in β ladder)trans-116.1147.5168.757166000109.7I59 T117 V118 L120 V124 T127 I137 V139 W150I59-I70 CarbonylContact O-C 3.55Å; I59-I70 VanDerWaalsContact O-CA 3.3Å; I59-I70 WeakPolarHBondContact O-CA 3.22Å; I70-T117 CarbonylContact O-C 3.55Å; I70-T117 WeakPolarHBondContact O-CA 3.25Å; I70-V118 HydrophobicContact CG1-CB 4.15Å; I70-V118 PolarHBondContact N-O 2.65Å; I70-V118 PolarHBondContact O-N 2.95Å; I70-L120 HydrophobicContact CG2-CD1 4.23Å; I70-V124 HydrophobicContact CG2-CG1 4.25Å; I70-V124 HydrophobicContact CG2-CG2 4.08Å; I70-T127 HydrophobicContact CG2-CG2 4.27Å; I70-I137 HydrophobicContact CD1-CG2 4.18Å; I70-V139 HydrophobicContact CD1-CG2 3.96Å; I70-V139 HydrophobicContact CG2-CG1 4.45Å; I70-V139 HydrophobicContact CG2-CG2 3.99Å; I70-W150 HydrophobicContact CD1-CE3 4.34Å; I70-W150 HydrophobicContact CD1-CZ3 3.74Å; I70-W150 HydrophobicContact CG1-CZ3 4.04Å
71A92Very high84.9Confident0 Ų049.3 Ų49.30%025%0.246CC..EExtended strand (participates in β ladder)trans-142.6160.8175.700000110.9W33 I59 L114 R116 T117W33-A71 HydrophobicContact CZ2-CB 4.07Å; I59-A71 HydrophobicContact CD1-CB 4.19Å; I59-A71 HydrophobicContact CG1-CB 3.89Å; I59-A71 WeakPolarHBondContact CG1-O 3.44Å; I59-A71 PolarHBondContact N-O 2.89Å; I59-A71 PolarHBondContact O-N 3.05Å; A71-L114 HydrophobicContact CB-CD2 4.15Å; A71-R116 VanDerWaalsContact CA-O 3.22Å; A71-R116 WeakPolarHBondContact CA-O 3.27Å; A71-R116 WeakPolarHBondContact CB-O 3.4Å; A71-T117 HydrophobicContact CB-CG2 4.32Å
72I92.5Very high82.4Confident6 Ų661.5 Ų61.53%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-108.8117.8167.1-67.7-176.9000109I41 I57 L58 K74 E115 R116 W150I41-I72 HydrophobicContact CD1-CD1 3.52Å; I41-I72 HydrophobicContact CD1-CG1 3.87Å; I41-I72 HydrophobicContact CD1-CG2 4.26Å; I57-I72 WeakPolarHBondContact O-CA 3.33Å; L58-I72 HydrophobicContact CD1-CG1 4.2Å; I72-K74 HydrophobicContact CG2-CD 4.47Å; I72-E115 PolarHBondContact O-N 3.03Å; I72-R116 PolarHBondContact N-O 2.89Å; I72-W150 HydrophobicContact CB-CZ2 3.98Å; I72-W150 HydrophobicContact CD1-CD2 4.1Å; I72-W150 HydrophobicContact CD1-CG 4.24Å; I72-W150 HydrophobicContact CD1-CZ2 3.71Å; I72-W150 HydrophobicContact CG1-CH2 4.3Å; I72-W150 HydrophobicContact CG1-CZ2 3.5Å; I72-W150 VanDerWaalsContact CG1-CZ2 3.5Å
73G91.9Very high79.8Confident0 Ų061.4 Ų61.40%031%0.308CS..EExtended strand (participates in β ladder)trans-82.9139.816500000110.5S56 I57 S113S56-G73 CarbonylContact C-O 3.56Å; S56-G73 VanDerWaalsContact CA-O 3.27Å; S56-G73 WeakPolarHBondContact CA-O 3.28Å; I57-G73 PolarHBondContact N-O 3.48Å; I57-G73 PolarHBondContact O-N 3.42Å; G73-S113 CarbonylContact C-O 3.6Å
74K91.6Very high77.3Confident37 Ų3765.7 Ų65.716%0.16133%0.327CS..EExtended strand (participates in β ladder)trans-102.7128.7169.8-62.9-61.8-179.5-170.60109.1V54 Y55 S56 I72 M112 S113 E115V54-K74 HydrophobicContact CG1-CB 3.95Å; V54-K74 HydrophobicContact CG1-CD 4Å; V54-K74 HydrophobicContact CG1-CG 4.36Å; Y55-K74 CarbonylContact O-C 3.53Å; Y55-K74 WeakPolarHBondContact O-CA 3.22Å; S56-K74 VanDerWaalsContact OG-CD 3.28Å; S56-K74 WeakPolarHBondContact OG-CD 3.5Å; S56-K74 PolarHBondContact OG-NZ 3.18Å; I72-K74 HydrophobicContact CG2-CD 4.47Å; K74-M112 CarbonylContact O-C 3.43Å; K74-M112 VanDerWaalsContact O-CA 3.25Å; K74-M112 WeakPolarHBondContact O-CA 3.24Å; K74-S113 PolarHBondContact N-O 3.13Å; K74-S113 PolarHBondContact O-N 3.07Å; K74-E115 WeakPolarHBondContact CE-OE2 3.33Å; K74-E115 HydrophobicContact CG-CB 4.24Å; K74-E115 IonicContact NZ-OE2 3.15Å; K74-E115 PolarHBondContact NZ-OE2 3.29Å
75V90.8Very high74.9Confident0 Ų074.2 Ų74.20%035%0.345CS..EExtended strand (participates in β ladder)trans-112.6125.8176.1-172.80000108.8W40 V54 Y55 I57 I77 P111 M112 V382W40-V75 HydrophobicContact CH2-CB 4.3Å; W40-V75 HydrophobicContact CH2-CG1 4.46Å; W40-V75 HydrophobicContact CH2-CG2 4.12Å; W40-V75 HydrophobicContact CZ3-CB 4.37Å; W40-V75 HydrophobicContact CZ3-CG2 4.23Å; V54-V75 CarbonylContact C-O 3.58Å; V54-V75 WeakPolarHBondContact CA-O 3.48Å; Y55-V75 PolarHBondContact N-O 3.17Å; Y55-V75 PolarHBondContact O-N 3.23Å; I57-V75 HydrophobicContact CD1-CG2 3.55Å; I57-V75 HydrophobicContact CG1-CG2 4.05Å; V75-I77 HydrophobicContact CG1-CG1 4.05Å; V75-P111 CarbonylContact C-O 3.52Å; V75-P111 WeakPolarHBondContact CA-O 3.42Å; V75-M112 HydrophobicContact CG2-CE 3.64Å; V75-M112 HydrophobicContact CG2-CG 4.2Å; V75-V382 HydrophobicContact CG1-CG1 4.2Å; V75-V382 HydrophobicContact CG1-CG2 4.49Å; V75-V382 HydrophobicContact CG2-CG2 4.17Å
76R89.4Confident72.4Confident86 Ų8677 Ų7733%0.32536%0.362SS..EExtended strand (participates in β ladder)trans-94.9121.7174.8-60.5179.4-179.776.17.2107.9W52 S53 V54 Q110 P111 S113W52-R76 HydrophobicContact CE3-CB 3.71Å; W52-R76 HydrophobicContact CZ3-CB 4.15Å; W52-R76 WeakPolarHBondContact CZ3-O 3.41Å; S53-R76 WeakPolarHBondContact O-CA 3.22Å; V54-R76 HydrophobicContact CG2-CG 4.31Å; R76-Q110 PolarHBondContact NH1-O 3.32Å; R76-P111 PolarHBondContact N-O 2.89Å; R76-S113 PolarHBondContact NH1-OG 2.76Å
77I85.9Confident69.9Low11 Ų1172.8 Ų72.86%0.05636%0.363CS..EExtended strand (participates in β ladder)trans-118128.4178.9-54.3175.7000108.3W52 S53 Y55 V75 I368 F371W52-I77 WeakPolarHBondContact CA-O 3.45Å; W52-I77 VanDerWaalsContact CE3-C 3.43Å; S53-I77 PolarHBondContact N-O 2.89Å; S53-I77 PolarHBondContact O-N 3.35Å; Y55-I77 HydrophobicContact CD2-CB 4.42Å; Y55-I77 HydrophobicContact CD2-CD1 3.44Å; Y55-I77 VanDerWaalsContact CD2-CD1 3.44Å; Y55-I77 HydrophobicContact CD2-CG1 4.03Å; Y55-I77 HydrophobicContact CE2-CB 4.43Å; Y55-I77 HydrophobicContact CE2-CD1 3.83Å; Y55-I77 HydrophobicContact CE2-CG1 4.46Å; Y55-I77 HydrophobicContact CG-CD1 4.23Å; V75-I77 HydrophobicContact CG1-CG1 4.05Å; I77-I368 HydrophobicContact CD1-CD1 3.64Å; I77-I368 HydrophobicContact CG2-CD1 4.49Å; I77-F371 HydrophobicContact CD1-CD1 4.12Å; I77-F371 HydrophobicContact CD1-CD2 4.46Å; I77-F371 HydrophobicContact CD1-CE1 3.35Å; I77-F371 HydrophobicContact CD1-CE2 3.87Å; I77-F371 HydrophobicContact CD1-CZ 3.26Å; I77-F371 HydrophobicContact CG1-CE1 4.22Å; I77-F371 HydrophobicContact CG1-CE2 4.44Å; I77-F371 HydrophobicContact CG1-CZ 3.77Å; I77-F371 HydrophobicContact CG2-CE2 4.17Å; I77-F371 HydrophobicContact CG2-CZ 4.3Å
78P79.1Confident67.6Low32 Ų3274.3 Ų74.321%0.20837%0.374CS..EExtended strand (participates in β ladder)trans-60137.3173.2-21.732.8000111.5W52 K80 L93W52-P78 HydrophobicContact CD2-CG 4.26Å; W52-P78 HydrophobicContact CE3-CB 4.4Å; W52-P78 HydrophobicContact CE3-CG 3.77Å; W52-P78 VanDerWaalsContact CE3-N 3.34Å; W52-P78 HydrophobicContact CH2-CG 3.5Å; W52-P78 HydrophobicContact CZ2-CG 3.96Å; W52-P78 HydrophobicContact CZ3-CB 4.45Å; W52-P78 HydrophobicContact CZ3-CG 3.4Å; P78-K80 PolarHBondContact O-N 3.28Å; P78-L93 HydrophobicContact CB-CD2 3.84Å; P78-L93 HydrophobicContact CB-CG 4.19Å; P78-L93 VanDerWaalsContact CD-CD2 3.48Å; P78-L93 HydrophobicContact CG-CD2 3.45Å; P78-L93 VanDerWaalsContact CG-CD2 3.45Å; P78-L93 HydrophobicContact CG-CG 3.93Å
79K76.2Confident64.7Low91 Ų9181.9 Ų81.940%0.39642%0.415SS..PPolyproline II helixtrans-74.6123.7169.2-65.9179.9173.4-177.10107.8E44 G51 W52 S53 N81E44-K79 IonicContact OE1-NZ 3.84Å; G51-K79 WeakPolarHBondContact O-CB 3.19Å; G51-K79 PolarHBondContact O-N 3.08Å; W52-K79 WeakPolarHBondContact O-CE 3.43Å; S53-K79 WeakPolarHBondContact OG-CE 3.4Å; K79-N81 PolarHBondContact O-N 2.83Å
80K67.2Low62Low133 Ų13385 Ų8558%0.57844%0.44SS*.PPolyproline II helixtrans-54.7116.8169.4-73.3-171.3175.9-1750108.4D24 P78 R82D24-K80 IonicContact OD2-NZ 3.86Å; D24-K80 PolarHBondContact OD2-NZ 2.76Å; P78-K80 PolarHBondContact O-N 3.28Å; K80-R82 PolarHBondContact O-N 2.69Å
81N46.7Very low59.3Low123 Ų12390.6 Ų90.666%0.65847%0.47SS*.  trans-67.799.9-178.5-99.1-22.8000109K79 A83K79-N81 PolarHBondContact O-N 2.83Å; N81-A83 PolarHBondContact O-N 3.18Å
82R40.5Very low56.9Low257 Ų25795.9 Ų95.997%0.9750%0.498SS*.SBendtrans-63.25.5-179.2-105.5-175.3176.1-176.80115.7K80K80-R82 PolarHBondContact O-N 2.69Å
83A31.9Very low54.9Low78 Ų7897.4 Ų97.465%0.64551%0.506SS*.  trans-164.683.4178.200000112.9N81N81-A83 PolarHBondContact O-N 3.18Å
84N32.1Very low53Low118 Ų118104.5 Ų104.563%0.63154%0.539SS*.  trans-103.896.3142.2-122.7-1.6000107.4N86N84-N86 PolarHBondContact O-N 2.91Å; N84-N86 VanDerWaalsContact O-N 3.12Å
85R34.2Very low51Low242 Ų242103.7 Ų103.791%0.91354%0.537SS*.  trans-66.8-0.7174.1-86.2-176.7170.2-177.6-2.6113.4
86N33.1Very low49.2Very low126 Ų126105 Ų10567%0.67454%0.544SS*.SBendtrans-108.3101.5176.4-62.2-12.9000106.3N84 S88N84-N86 PolarHBondContact O-N 2.91Å; N84-N86 VanDerWaalsContact O-N 3.12Å; N86-S88 PolarHBondContact O-N 2.88Å
87G31.6Very low47.4Very low78 Ų78101.9 Ų101.980%0.80454%0.535SS*.  trans-64.168.3-171.600000115.3
88S37.1Very low45.7Very low85 Ų85103.6 Ų103.659%0.59454%0.543SS*.  trans-102.697.5158.259.70000107.7N86 V90N86-S88 PolarHBondContact O-N 2.88Å; S88-V90 PolarHBondContact O-N 3.25Å; S88-V90 VanDerWaalsContact O-N 3.17Å
89D31.2Very low44.3Very low158 Ų158108.1 Ų108.185%0.84557%0.565SS**  trans-62.6106.9173.5-63.7-41.6000109.7
90V34Very low42.8Very low123 Ų123110 Ų11075%0.74558%0.575SS**  trans-143.163.9158.2-163.30000107.5S88S88-V90 PolarHBondContact O-N 3.25Å; S88-V90 VanDerWaalsContact O-N 3.17Å
91D37.2Very low41.7Very low118 Ų118104.3 Ų104.363%0.63155%0.554SS**  trans-102.731.9176.5-92.7-2.8000111.5L93D91-L93 PolarHBondContact O-N 3.23Å
92N41Very low41.5Very low112 Ų112107.3 Ų107.360%0.59956%0.557SS**  trans-86.797.9164.7-69.8-5.5000107.4E94N92-E94 PolarHBondContact O-N 2.84Å
93L51.1Low41.5Very low38 Ų38102.5 Ų102.520%0.19955%0.55CS.*  trans-57.8108166-92.388.1000107.4D24 F25 P78 D91D24-L93 WeakPolarHBondContact O-CB 3.38Å; F25-L93 HydrophobicContact CB-CD2 4.19Å; F25-L93 HydrophobicContact CD2-CB 4.45Å; F25-L93 HydrophobicContact CD2-CD2 3.57Å; F25-L93 HydrophobicContact CE2-CD2 4.4Å; F25-L93 HydrophobicContact CG-CD2 4.3Å; P78-L93 HydrophobicContact CB-CD2 3.84Å; P78-L93 HydrophobicContact CB-CG 4.19Å; P78-L93 VanDerWaalsContact CD-CD2 3.48Å; P78-L93 HydrophobicContact CG-CD2 3.45Å; P78-L93 VanDerWaalsContact CG-CD2 3.45Å; P78-L93 HydrophobicContact CG-CG 3.93Å; D91-L93 PolarHBondContact O-N 3.23Å
94E50.5Low41.8Very low149 Ų149101.7 Ų101.770%0.69654%0.539SS*.  trans-55.1140.6-174.6-70.2177.915600111.7N92 L96N92-E94 PolarHBondContact O-N 2.84Å; E94-L96 HydrophobicContact CB-CD2 4.45Å; E94-L96 PolarHBondContact O-N 3Å
95V50.9Low42.1Very low19 Ų19103.2 Ų103.212%0.11555%0.553CS.*  trans-63.2102.6169.3174.80000107.2S19 V20 Y26 T97S19-V95 VanDerWaalsContact OG-CG2 3.3Å; S19-V95 WeakPolarHBondContact OG-CG2 3.5Å; V20-V95 HydrophobicContact CG2-CG2 3.68Å; Y26-V95 HydrophobicContact CD1-CG1 3.99Å; V95-T97 HydrophobicContact CG1-CG2 4.23Å; V95-T97 PolarHBondContact O-N 3.38Å
96L52.3Low42.6Very low29 Ų2997.2 Ų97.215%0.15254%0.539CS..BIsolated β-bridgetrans-95.797.8179.2-65.2176.8000109Y26 W52 E94 P111Y26-L96 PolarHBondContact O-N 3.42Å; W52-L96 HydrophobicContact CH2-CD1 4.31Å; E94-L96 HydrophobicContact CB-CD2 4.45Å; E94-L96 PolarHBondContact O-N 3Å; L96-P111 HydrophobicContact CB-CG 3.89Å; L96-P111 HydrophobicContact CD1-CB 4.34Å; L96-P111 HydrophobicContact CD1-CG 4.42Å
97T51.5Low42.9Very low20 Ų2097.4 Ų97.412%0.12355%0.55CS.*  trans-90.7151.7164.9600000110V95 D99 Q100V95-T97 HydrophobicContact CG1-CG2 4.23Å; V95-T97 PolarHBondContact O-N 3.38Å; T97-D99 PolarHBondContact O-N 2.92Å; T97-D99 VanDerWaalsContact O-N 3.09Å; T97-Q100 PolarHBondContact O-N 2.76Å
98E51Low43.7Very low47 Ų4796.9 Ų96.922%0.2253%0.528CS..THydrogen-bonded Turntrans-53-33.9-177.5-73.5-171.1177.700113.7Y29 S30 G101Y29-E98 WeakPolarHBondContact CA-OE1 3.2Å; Y29-E98 WeakPolarHBondContact CD2-OE1 3.41Å; Y29-E98 WeakPolarHBondContact CE2-OE1 3.07Å; S30-E98 PolarHBondContact N-OE1 3.46Å; E98-G101 PolarHBondContact O-N 2.9Å
99D48.5Very low44.4Very low126 Ų12693.4 Ų93.467%0.67450%0.504SS*.THydrogen-bonded Turntrans-71.3-30.2-178.7-78.5-22.7000112.9T97 G101T97-D99 PolarHBondContact O-N 2.92Å; T97-D99 VanDerWaalsContact O-N 3.09Å; D99-G101 VanDerWaalsContact C-N 3.3Å; D99-G101 PolarHBondContact O-N 3.35Å
100Q46.2Very low45.8Very low131 Ų13190.2 Ų90.261%0.61248%0.484SS*.THydrogen-bonded Turntrans-78.4-16.9178-65.2-170.119.500112.9T97T97-Q100 PolarHBondContact O-N 2.76Å
101G44Very low47.7Very low14 Ų1484.7 Ų84.714%0.14445%0.451CS..THydrogen-bonded Turntrans-86.8-3.7-178.500000115.9E98 D99 A109E98-G101 PolarHBondContact O-N 2.9Å; D99-G101 VanDerWaalsContact C-N 3.3Å; D99-G101 PolarHBondContact O-N 3.35Å; G101-A109 VanDerWaalsContact O-CB 3.28Å; G101-A109 WeakPolarHBondContact O-CB 3.07Å
102R41.5Very low50Low186 Ų18679.2 Ų79.270%0.70242%0.421SS*.SBendtrans-82.2-22.4-178.2-78.3-175.8178167.44.6114.5
103D40.8Very low52.2Low156 Ų15675.2 Ų75.283%0.83440%0.402SS*.SBendtrans-101.5-3.3-172.7-72.6-20.3000114.5
104S39.2Very low53.9Low60 Ų6075.4 Ų75.442%0.4240%0.404SS..  trans-88.6128.717560.50000111.4D106 A109S104-D106 PolarHBondContact O-N 2.71Å; S104-D106 VanDerWaalsContact O-N 3.16Å; S104-A109 VanDerWaalsContact OG-CB 3.31Å; S104-A109 WeakPolarHBondContact OG-CB 3.45Å
105V38.4Very low55.4Low150 Ų15072.5 Ų72.591%0.90939%0.39SS*.SBendtrans-66.3-13.2-178.9-176.50000112.1
106D42.8Very low56.8Low117 Ų11772.5 Ų72.563%0.62639%0.388SS*.SBendtrans-91.3115.9171.6-72.8-34.5000109.7S104 I108S104-D106 PolarHBondContact O-N 2.71Å; S104-D106 VanDerWaalsContact O-N 3.16Å; D106-I108 HydrophobicContact CB-CD1 4.37Å; D106-I108 HydrophobicContact CB-CG1 4.39Å; D106-I108 PolarHBondContact O-N 2.89Å
107S39.5Very low58.5Low130 Ų13072.8 Ų72.891%0.90939%0.391SS*.THydrogen-bonded Turntrans-65.626.8177.4830000114.5
108I50.1Low60.2Low67 Ų6772.1 Ų72.134%0.34439%0.386SS..THydrogen-bonded Turntrans-93.4-5.7-179.2-59.9175.8000110.4W52 D106 Q110W52-I108 HydrophobicContact CZ2-CG2 4Å; D106-I108 HydrophobicContact CB-CD1 4.37Å; D106-I108 HydrophobicContact CB-CG1 4.39Å; D106-I108 PolarHBondContact O-N 2.89Å; I108-Q110 PolarHBondContact O-N 2.79Å
109A50.7Low62Low11 Ų1173 Ų739%0.09139%0.391CS..  trans-81.4-3.5-164.500000116.8G101 S104 P111G101-A109 VanDerWaalsContact O-CB 3.28Å; G101-A109 WeakPolarHBondContact O-CB 3.07Å; S104-A109 VanDerWaalsContact OG-CB 3.31Å; S104-A109 WeakPolarHBondContact OG-CB 3.45Å; A109-P111 WeakPolarHBondContact O-CD 3.4Å
110Q60.1Low63.7Low92 Ų9268.1 Ų68.143%0.4336%0.364SS..  trans-9799.3170.2-73-166.2-800110.3R76 I108 M112R76-Q110 PolarHBondContact NH1-O 3.32Å; I108-Q110 PolarHBondContact O-N 2.79Å; Q110-M112 PolarHBondContact O-N 2.8Å; Q110-M112 VanDerWaalsContact O-N 3.11Å
111P75.4Confident65.4Low6 Ų664.4 Ų64.44%0.03936%0.362CS..SBendtrans-60-21.2177.625-36.8000112.2F25 S27 V75 R76 L96 A109F25-P111 HydrophobicContact CZ-CB 4.32Å; S27-P111 WeakPolarHBondContact OG-CB 3.42Å; S27-P111 WeakPolarHBondContact OG-CG 3.13Å; V75-P111 CarbonylContact C-O 3.52Å; V75-P111 WeakPolarHBondContact CA-O 3.42Å; R76-P111 PolarHBondContact N-O 2.89Å; L96-P111 HydrophobicContact CB-CG 3.89Å; L96-P111 HydrophobicContact CD1-CB 4.34Å; L96-P111 HydrophobicContact CD1-CG 4.42Å; A109-P111 WeakPolarHBondContact O-CD 3.4Å
112M83.9Confident67.4Low3 Ų365.7 Ų65.72%0.01537%0.365CS..EExtended strand (participates in β ladder)trans-129.1145.8179-165.5179.9-68.900112.8Y29 I57 K74 V75 Q110 L380 V382Y29-M112 WeakPolarHBondContact CB-SD 3.4Å; Y29-M112 HydrophobicContact CD1-CG 4.43Å; Y29-M112 HydrophobicContact CD1-SD 3.85Å; Y29-M112 HydrophobicContact CD2-CB 3.92Å; Y29-M112 HydrophobicContact CD2-CG 4.34Å; Y29-M112 HydrophobicContact CG-CB 3.99Å; Y29-M112 HydrophobicContact CG-CG 4.05Å; Y29-M112 HydrophobicContact CG-SD 3.68Å; I57-M112 HydrophobicContact CD1-CE 4.26Å; K74-M112 CarbonylContact O-C 3.43Å; K74-M112 VanDerWaalsContact O-CA 3.25Å; K74-M112 WeakPolarHBondContact O-CA 3.24Å; V75-M112 HydrophobicContact CG2-CE 3.64Å; V75-M112 HydrophobicContact CG2-CG 4.2Å; Q110-M112 PolarHBondContact O-N 2.8Å; Q110-M112 VanDerWaalsContact O-N 3.11Å; M112-L380 HydrophobicContact CE-CB 4.41Å; M112-L380 HydrophobicContact CE-CD2 3.55Å; M112-L380 HydrophobicContact CE-CG 3.74Å; M112-L380 HydrophobicContact SD-CB 4.27Å; M112-L380 HydrophobicContact SD-CD2 3.46Å; M112-L380 WeakPolarHBondContact SD-CD2 3.39Å; M112-L380 HydrophobicContact SD-CG 4.02Å; M112-V382 HydrophobicContact CE-CB 4.43Å; M112-V382 HydrophobicContact CE-CG2 3.36Å
113S87.1Confident69.7Low28 Ų2856.8 Ų56.820%0.19633%0.332CS..EExtended strand (participates in β ladder)trans-149.3144.1172.755.60000111.3G73 K74 R76G73-S113 CarbonylContact C-O 3.6Å; K74-S113 PolarHBondContact N-O 3.13Å; K74-S113 PolarHBondContact O-N 3.07Å; R76-S113 PolarHBondContact NH1-OG 2.76Å
114L86.9Confident72.2Confident43 Ų4349.4 Ų49.423%0.22529%0.292CS..EExtended strand (participates in β ladder)trans-81.1124.6172.9-68.7165.5000110.7Y29 L31 P32 I59 A71Y29-L114 HydrophobicContact CE1-CD1 3.97Å; Y29-L114 HydrophobicContact CE1-CG 4.01Å; L31-L114 HydrophobicContact CD2-CD1 4.34Å; L31-L114 HydrophobicContact CD2-CD2 4.29Å; P32-L114 HydrophobicContact CG-CD1 3.81Å; I59-L114 HydrophobicContact CD1-CD2 3.47Å; I59-L114 VanDerWaalsContact CD1-CD2 3.47Å; I59-L114 HydrophobicContact CG1-CD2 4.48Å; A71-L114 HydrophobicContact CB-CD2 4.15Å
115E83.3Confident74.7Confident87 Ų8747.6 Ų47.641%0.40728%0.277SS..EExtended strand (participates in β ladder)trans-81.3-50.9-179.9-169.6-161.2155.900111.3I72 K74I72-E115 PolarHBondContact O-N 3.03Å; K74-E115 WeakPolarHBondContact CE-OE2 3.33Å; K74-E115 HydrophobicContact CG-CB 4.24Å; K74-E115 IonicContact NZ-OE2 3.15Å; K74-E115 PolarHBondContact NZ-OE2 3.29Å
116R80.1Confident77.3Confident20 Ų2041.6 Ų41.68%0.07524%0.24CC..EExtended strand (participates in β ladder)trans-161.1143.9-169.533.4175.5-61.6-178.4-2.9110.3A71 I72 W150 C153A71-R116 VanDerWaalsContact CA-O 3.22Å; A71-R116 WeakPolarHBondContact CA-O 3.27Å; A71-R116 WeakPolarHBondContact CB-O 3.4Å; I72-R116 PolarHBondContact N-O 2.89Å; R116-W150 HydrophobicContact CB-CZ2 4.36Å; R116-W150 HydrophobicContact CG-CZ2 3.62Å; R116-W150 VanDerWaalsContact NE-NE1 3.14Å; R116-W150 PolarHBondContact NH1-O 2.9Å; R116-W150 PolarHBondContact NH2-O 2.93Å; R116-C153 PolarHBondContact NH2-O 2.81Å
117T87.7Confident79.8Confident35 Ų3536 Ų3622%0.21521%0.21CC..EExtended strand (participates in β ladder)trans-127137.3-178-55.50000109.2R69 I70 A71R69-T117 HydrophobicContact CB-CG2 3.97Å; R69-T117 HydrophobicContact CG-CG2 3.95Å; I70-T117 CarbonylContact O-C 3.55Å; I70-T117 WeakPolarHBondContact O-CA 3.25Å; A71-T117 HydrophobicContact CB-CG2 4.32Å
118V87.4Confident82.5Confident5 Ų531.3 Ų31.33%0.0317%0.174CC..EExtended strand (participates in β ladder)trans-120.9118.4176179.10000107.8R69 I70 L120 W150 C153 G160R69-V118 WeakPolarHBondContact CA-O 3.25Å; R69-V118 VanDerWaalsContact CB-O 3.28Å; R69-V118 WeakPolarHBondContact CB-O 3.44Å; I70-V118 HydrophobicContact CG1-CB 4.15Å; I70-V118 PolarHBondContact N-O 2.65Å; I70-V118 PolarHBondContact O-N 2.95Å; V118-L120 HydrophobicContact CG1-CD2 4.11Å; V118-W150 HydrophobicContact CB-CZ3 4.16Å; V118-W150 HydrophobicContact CG2-CE3 4.3Å; V118-W150 HydrophobicContact CG2-CH2 3.85Å; V118-W150 HydrophobicContact CG2-CZ3 3.46Å; V118-W150 VanDerWaalsContact CG2-CZ3 3.46Å; V118-C153 HydrophobicContact CG2-CB 3.93Å; V118-G160 VanDerWaalsContact CG1-CA 3.47Å
119E88Confident84.5Confident66 Ų6629.4 Ų29.431%0.30816%0.164SC..EExtended strand (participates in β ladder)trans-80.9133.3173.5-64.9-172.8170.500109.6R69 G160R69-E119 HydrophobicContact CB-CG 4.36Å; E119-G160 PolarHBondContact O-N 2.81Å
120L84.7Confident86.6Confident23 Ų2328.9 Ų28.912%0.1216%0.159CC..  trans-101.8-24-175.4-59.5-177.4000112.7G68 I70 V118 D122 V124 V139 F148G68-L120 PolarHBondContact O-N 3.5Å; I70-L120 HydrophobicContact CG2-CD1 4.23Å; V118-L120 HydrophobicContact CG1-CD2 4.11Å; L120-D122 PolarHBondContact O-N 3.41Å; L120-V124 HydrophobicContact CD1-CG2 3.66Å; L120-V139 HydrophobicContact CD1-CB 4.29Å; L120-V139 HydrophobicContact CD1-CG1 3.69Å; L120-V139 HydrophobicContact CD1-CG2 4.29Å; L120-F148 HydrophobicContact CD2-CE1 3.82Å; L120-F148 HydrophobicContact CD2-CE2 3.92Å; L120-F148 HydrophobicContact CD2-CZ 3.3Å
121G82.3Confident88.2Confident54 Ų5427 Ų2756%0.55716%0.156SC*.SBendtrans71.813.1-175.200000114.3
122D86Confident89Confident40 Ų4030 Ų3021%0.21417%0.169CC..SBendtrans-146.1166.5169.8-167.57.7000108.9E66 G68 L120 S141 R142E66-D122 CarbonylContact O-C 3.36Å; E66-D122 WeakPolarHBondContact O-CA 3.01Å; G68-D122 WeakPolarHBondContact CA-O 3.41Å; G68-D122 PolarHBondContact N-O 3.09Å; L120-D122 PolarHBondContact O-N 3.41Å; D122-S141 VanDerWaalsContact OD2-CB 3.27Å; D122-S141 WeakPolarHBondContact OD2-CB 3.43Å; D122-R142 WeakPolarHBondContact OD1-CD 3.5Å; D122-R142 IonicContact OD1-NE 2.98Å; D122-R142 PolarHBondContact OD2-N 3.13Å
123S89.1Confident89.4Confident0 Ų031.4 Ų31.40%018%0.179CC..  trans-63.3144.3179.4-59.70000112.3A63 E65 S141 R142A63-S123 WeakPolarHBondContact O-CB 3.2Å; A63-S123 PolarHBondContact O-OG 3.27Å; E65-S123 WeakPolarHBondContact O-CA 3.45Å; E65-S123 WeakPolarHBondContact O-CB 3.45Å; E65-S123 PolarHBondContact O-OG 3.06Å; S123-S141 WeakPolarHBondContact O-CA 3.5Å; S123-R142 PolarHBondContact OG-NE 2.96Å; S123-R142 PolarHBondContact OG-NH2 3.15Å
124V92.6Very high89.3Confident0 Ų033.2 Ų33.20%019%0.186CC..  trans-97.9107.1172.4176.20000108.3I70 L120 T127 V139I70-V124 HydrophobicContact CG2-CG1 4.25Å; I70-V124 HydrophobicContact CG2-CG2 4.08Å; L120-V124 HydrophobicContact CD1-CG2 3.66Å; V124-T127 HydrophobicContact CG1-CG2 4.37Å; V124-V139 HydrophobicContact CB-CG1 4.41Å; V124-V139 HydrophobicContact CG1-CG1 3.94Å; V124-V139 HydrophobicContact CG2-CG1 4.09Å
125L92.5Very high89.4Confident22 Ų2233.3 Ų33.312%0.11519%0.187CC..SBendtrans-86.9-36.1179.3-55.5-172000112.3A63 I140 G173A63-L125 HydrophobicContact CB-CD2 3.72Å; L125-I140 HydrophobicContact CB-CB 4.02Å; L125-I140 HydrophobicContact CB-CG2 3.85Å; L125-I140 HydrophobicContact CD1-CG2 3.88Å; L125-I140 HydrophobicContact CG-CG2 4.15Å; L125-I140 PolarHBondContact N-O 2.96Å; L125-G173 WeakPolarHBondContact CD1-O 3.28Å
126E93.8Very high89.8Confident25 Ų2531.3 Ų31.312%0.11718%0.177CC..EExtended strand (participates in β ladder)trans-160.8151.7176-179.558-8100108.3V37 K39 V139 I140 L176V37-E126 WeakPolarHBondContact CG1-OE1 3.45Å; K39-E126 VanDerWaalsContact CE-OE1 3.29Å; K39-E126 WeakPolarHBondContact CE-OE1 3.27Å; K39-E126 VanDerWaalsContact NZ-CD 3.31Å; K39-E126 IonicContact NZ-OE1 3.45Å; K39-E126 PolarHBondContact NZ-OE1 3.27Å; K39-E126 VanDerWaalsContact NZ-OE1 3.16Å; K39-E126 IonicContact NZ-OE2 3.78Å; K39-E126 PolarHBondContact NZ-OE2 3.1Å; E126-V139 CarbonylContact O-C 3.43Å; E126-V139 WeakPolarHBondContact O-CA 3.49Å; E126-I140 HydrophobicContact CB-CD1 4.09Å; E126-I140 HydrophobicContact CB-CG1 4.28Å; E126-I140 PolarHBondContact O-N 3.33Å; E126-L176 HydrophobicContact CG-CB 4.39Å
127T95.1Very high90.4Very high0 Ų030.4 Ų30.40%017%0.173CC..EExtended strand (participates in β ladder)trans-144.3133.7176.3178.40000111.2V37 L58 I70 V124 I137 A138V37-T127 HydrophobicContact CB-CG2 4.24Å; V37-T127 HydrophobicContact CG1-CG2 3.7Å; L58-T127 HydrophobicContact CD2-CG2 4.17Å; L58-T127 WeakPolarHBondContact CD2-OG1 3.21Å; L58-T127 HydrophobicContact CG-CG2 4.04Å; I70-T127 HydrophobicContact CG2-CG2 4.27Å; V124-T127 HydrophobicContact CG1-CG2 4.37Å; T127-I137 WeakPolarHBondContact OG1-CG2 3.3Å; T127-A138 CarbonylContact C-O 3.48Å; T127-A138 VanDerWaalsContact CA-O 3.31Å; T127-A138 WeakPolarHBondContact CA-O 3.44Å; T127-A138 PolarHBondContact OG1-O 3.19Å
128L94.7Very high90.7Very high30 Ų3028.7 Ų28.716%0.15716%0.163CC..EExtended strand (participates in β ladder)trans-141.1140.7-178.3-66.3178.2000111.9K39 I137 A138 L176 W178K39-L128 HydrophobicContact CD-CD2 3.8Å; K39-L128 HydrophobicContact CG-CD2 3.92Å; L128-I137 WeakPolarHBondContact O-CA 3.42Å; L128-A138 PolarHBondContact N-O 2.83Å; L128-A138 PolarHBondContact O-N 3.15Å; L128-L176 HydrophobicContact CD1-CB 3.61Å; L128-L176 VanDerWaalsContact CD1-O 3.32Å; L128-L176 WeakPolarHBondContact CD1-O 3.46Å; L128-L176 HydrophobicContact CG-CB 4.34Å; L128-W178 PolarHBondContact O-NE1 2.86Å
129Q93.8Very high91.1Very high27 Ų2728.5 Ų28.513%0.12616%0.161CC..EExtended strand (participates in β ladder)trans-83.7143.5169.2-174.8-175.656.300110.6I41 L134 K136I41-Q129 VanDerWaalsContact CG2-OE1 3.28Å; Q129-L134 VanDerWaalsContact CD-CA 3.5Å; Q129-L134 HydrophobicContact CG-CD2 4.48Å; Q129-L134 VanDerWaalsContact NE2-C 3.3Å; Q129-L134 PolarHBondContact NE2-O 3.22Å; Q129-L134 VanDerWaalsContact OE1-CD2 3.28Å; Q129-K136 WeakPolarHBondContact CA-O 3.21Å
130M94.8Very high91.3Very high0 Ų025.3 Ų25.30%015%0.147CC..EExtended strand (participates in β ladder)trans-72.6125.1175.3-165.5-1779100110.1Q132 S133 K136 W178 E183 I200M130-Q132 VanDerWaalsContact C-N 3.28Å; M130-Q132 HydrophobicContact CE-CB 3.98Å; M130-Q132 PolarHBondContact O-N 3.3Å; M130-S133 CarbonylContact O-C 3.56Å; M130-S133 VanDerWaalsContact O-C 3.26Å; M130-S133 PolarHBondContact O-N 3.42Å; M130-S133 VanDerWaalsContact O-N 3.1Å; M130-K136 HydrophobicContact CB-CB 3.89Å; M130-K136 HydrophobicContact CE-CD 3.75Å; M130-K136 PolarHBondContact N-O 2.96Å; M130-K136 HydrophobicContact SD-CB 4.41Å; M130-K136 HydrophobicContact SD-CD 3.77Å; M130-W178 HydrophobicContact CB-CD2 4.12Å; M130-W178 HydrophobicContact CB-CE3 4.44Å; M130-W178 HydrophobicContact CB-CZ2 4.22Å; M130-W178 HydrophobicContact CG-CD2 3.89Å; M130-W178 HydrophobicContact CG-CE3 3.78Å; M130-W178 HydrophobicContact CG-CG 4.46Å; M130-W178 HydrophobicContact CG-CH2 4.39Å; M130-W178 HydrophobicContact CG-CZ2 4.45Å; M130-W178 HydrophobicContact CG-CZ3 4.05Å; M130-W178 HydrophobicContact SD-CE3 4.37Å; M130-W178 HydrophobicContact SD-CH2 4.38Å; M130-W178 HydrophobicContact SD-CZ3 4.09Å; M130-E183 HydrophobicContact CE-CG 3.73Å; M130-E183 HydrophobicContact SD-CG 4.48Å; M130-I200 HydrophobicContact SD-CD1 3.76Å
131P92.9Very high91.5Very high54 Ų5424.5 Ų24.535%0.35114%0.143SC..THydrogen-bonded Turntrans-55.8-38.6-174.7-27.734.7000114.1W178 T180P131-W178 HydrophobicContact CG-CB 4.16Å; P131-T180 HydrophobicContact CG-CG2 4.11Å
132Q92.8Very high91.7Very high69 Ų6927.7 Ų27.732%0.32214%0.138SC..THydrogen-bonded Turntrans-83.5-12.5-176.2-49.980.7-1.400113.4M130 S179 T180 E183M130-Q132 VanDerWaalsContact C-N 3.28Å; M130-Q132 HydrophobicContact CE-CB 3.98Å; M130-Q132 PolarHBondContact O-N 3.3Å; Q132-S179 PolarHBondContact NE2-O 3.35Å; Q132-T180 VanDerWaalsContact NE2-C 3.26Å; Q132-T180 PolarHBondContact NE2-O 3.19Å; Q132-E183 HydrophobicContact CB-CG 4.31Å; Q132-E183 HydrophobicContact CG-CB 4.32Å
133S91.9Very high91.5Very high31 Ų3131.9 Ų31.922%0.21716%0.156CC..EExtended strand (participates in β ladder)trans-148105.6175169.80000111.6M130 N135 K136M130-S133 CarbonylContact O-C 3.56Å; M130-S133 VanDerWaalsContact O-C 3.26Å; M130-S133 PolarHBondContact O-N 3.42Å; M130-S133 VanDerWaalsContact O-N 3.1Å; S133-N135 PolarHBondContact O-N 3.28Å; S133-K136 PolarHBondContact O-N 3.15Å
134L86Confident91.4Very high67 Ų6732.2 Ų32.235%0.35116%0.158SC..EExtended strand (participates in β ladder)trans-62.1-11-177.9-54.7178.4000114.9I41 D42 Q129I41-L134 HydrophobicContact CG2-CD2 4.41Å; D42-L134 HydrophobicContact CB-CD2 4.06Å; D42-L134 WeakPolarHBondContact O-CD1 3.3Å; D42-L134 WeakPolarHBondContact O-CD2 3.49Å; Q129-L134 VanDerWaalsContact CD-CA 3.5Å; Q129-L134 HydrophobicContact CG-CD2 4.48Å; Q129-L134 VanDerWaalsContact NE2-C 3.3Å; Q129-L134 PolarHBondContact NE2-O 3.22Å; Q129-L134 VanDerWaalsContact OE1-CD2 3.28Å
135N87.8Confident91.4Very high44 Ų4432.2 Ų32.224%0.23516%0.158CC..EExtended strand (participates in β ladder)trans-90.5-14.2175.8-51-63.1000112.4S133 D149 W150 K151S133-N135 PolarHBondContact O-N 3.28Å; N135-D149 WeakPolarHBondContact CB-OD1 3.41Å; N135-D149 CarbonylContact O-C 3.53Å; N135-D149 WeakPolarHBondContact O-CA 2.93Å; N135-W150 WeakPolarHBondContact O-CB 3.49Å; N135-W150 PolarHBondContact O-N 2.99Å; N135-K151 HydrophobicContact CB-CD 4.17Å; N135-K151 HydrophobicContact CB-CG 4.06Å; N135-K151 VanDerWaalsContact CG-CD 3.46Å; N135-K151 WeakPolarHBondContact ND2-CE 3.48Å; N135-K151 PolarHBondContact ND2-NZ 3.02Å; N135-K151 VanDerWaalsContact ND2-NZ 3.12Å; N135-K151 VanDerWaalsContact OD1-CE 3.22Å; N135-K151 WeakPolarHBondContact OD1-CE 3.33Å; N135-K151 WeakPolarHBondContact OD1-CG 3.11Å
136K91.2Very high91.4Very high46 Ų4631.9 Ų31.920%0.216%0.156CC..EExtended strand (participates in β ladder)trans-92.3122-176.7-70.3178167.1-177.70109.4Q129 M130 S133 F147 F148 I200Q129-K136 WeakPolarHBondContact CA-O 3.21Å; M130-K136 HydrophobicContact CB-CB 3.89Å; M130-K136 HydrophobicContact CE-CD 3.75Å; M130-K136 PolarHBondContact N-O 2.96Å; M130-K136 HydrophobicContact SD-CB 4.41Å; M130-K136 HydrophobicContact SD-CD 3.77Å; S133-K136 PolarHBondContact O-N 3.15Å; K136-F147 HydrophobicContact CB-CE2 3.83Å; K136-F147 HydrophobicContact CB-CZ 3.73Å; K136-F147 HydrophobicContact CD-CE2 4.32Å; K136-F147 HydrophobicContact CD-CZ 3.66Å; K136-F147 HydrophobicContact CG-CE1 4.47Å; K136-F147 HydrophobicContact CG-CE2 4.19Å; K136-F147 HydrophobicContact CG-CZ 3.57Å; K136-F148 WeakPolarHBondContact CA-O 3.3Å; K136-I200 HydrophobicContact CD-CD1 4.3Å
137I93.6Very high91.3Very high0 Ų031.2 Ų31.20%015%0.153CC..EExtended strand (participates in β ladder)trans-124.7130.9-179.2-62.2173.6000108.8L58 I70 T127 L128 V139 F148 W150L58-I137 HydrophobicContact CD1-CD1 3.97Å; L58-I137 HydrophobicContact CD2-CD1 4.3Å; L58-I137 HydrophobicContact CD2-CG1 4.37Å; L58-I137 HydrophobicContact CD2-CG2 3.89Å; I70-I137 HydrophobicContact CD1-CG2 4.18Å; T127-I137 WeakPolarHBondContact OG1-CG2 3.3Å; L128-I137 WeakPolarHBondContact O-CA 3.42Å; I137-V139 HydrophobicContact CG2-CG2 4.06Å; I137-F148 PolarHBondContact N-O 3.42Å; I137-F148 PolarHBondContact O-N 3.38Å; I137-W150 HydrophobicContact CD1-CB 4.01Å; I137-W150 HydrophobicContact CD1-CD2 3.84Å; I137-W150 HydrophobicContact CD1-CE3 3.69Å; I137-W150 HydrophobicContact CD1-CG 4.03Å; I137-W150 HydrophobicContact CD1-CZ3 4.38Å
138A94.7Very high90.9Very high0 Ų031.3 Ų31.30%015%0.154CC..EExtended strand (participates in β ladder)trans-103.2138.6166.900000110T127 L128 V145 L146 L176 W178 L186T127-A138 CarbonylContact C-O 3.48Å; T127-A138 VanDerWaalsContact CA-O 3.31Å; T127-A138 WeakPolarHBondContact CA-O 3.44Å; T127-A138 PolarHBondContact OG1-O 3.19Å; L128-A138 PolarHBondContact N-O 2.83Å; L128-A138 PolarHBondContact O-N 3.15Å; A138-V145 HydrophobicContact CB-CG1 4.2Å; A138-L146 CarbonylContact C-O 3.57Å; A138-L146 WeakPolarHBondContact CA-O 2.96Å; A138-L176 HydrophobicContact CB-CD1 3.93Å; A138-W178 HydrophobicContact CB-CZ2 3.56Å; A138-L186 HydrophobicContact CB-CD2 3.96Å
139V94.3Very high90.6Very high0 Ų031.5 Ų31.50%016%0.155CC..EExtended strand (participates in β ladder)trans-127.9127.2176.6-174.40000108.7I70 L120 V124 E126 I137 S141 V145 L146 F148I70-V139 HydrophobicContact CD1-CG2 3.96Å; I70-V139 HydrophobicContact CG2-CG1 4.45Å; I70-V139 HydrophobicContact CG2-CG2 3.99Å; L120-V139 HydrophobicContact CD1-CB 4.29Å; L120-V139 HydrophobicContact CD1-CG1 3.69Å; L120-V139 HydrophobicContact CD1-CG2 4.29Å; V124-V139 HydrophobicContact CB-CG1 4.41Å; V124-V139 HydrophobicContact CG1-CG1 3.94Å; V124-V139 HydrophobicContact CG2-CG1 4.09Å; E126-V139 CarbonylContact O-C 3.43Å; E126-V139 WeakPolarHBondContact O-CA 3.49Å; I137-V139 HydrophobicContact CG2-CG2 4.06Å; V139-S141 PolarHBondContact O-N 3.05Å; V139-V145 CarbonylContact O-C 3.6Å; V139-V145 WeakPolarHBondContact O-CA 3.35Å; V139-L146 HydrophobicContact CB-CB 4.48Å; V139-L146 PolarHBondContact N-O 3.49Å; V139-L146 PolarHBondContact O-N 3.01Å; V139-F148 HydrophobicContact CB-CE2 4.1Å; V139-F148 HydrophobicContact CG2-CD2 3.93Å; V139-F148 HydrophobicContact CG2-CE2 3.71Å
140I93.6Very high90.3Very high0 Ų030.8 Ų30.80%015%0.151CC..EExtended strand (participates in β ladder)trans-77.5121.1166.6-59.1-175.6000108.8L125 E126 V145 M172 G173 L176 C188L125-I140 HydrophobicContact CB-CB 4.02Å; L125-I140 HydrophobicContact CB-CG2 3.85Å; L125-I140 HydrophobicContact CD1-CG2 3.88Å; L125-I140 HydrophobicContact CG-CG2 4.15Å; L125-I140 PolarHBondContact N-O 2.96Å; E126-I140 HydrophobicContact CB-CD1 4.09Å; E126-I140 HydrophobicContact CB-CG1 4.28Å; E126-I140 PolarHBondContact O-N 3.33Å; I140-V145 HydrophobicContact CG1-CG2 4.19Å; I140-M172 HydrophobicContact CG2-CB 3.57Å; I140-M172 HydrophobicContact CG2-CG 4.35Å; I140-G173 WeakPolarHBondContact CG2-O 3.3Å; I140-L176 HydrophobicContact CD1-CD1 4.29Å; I140-L176 HydrophobicContact CD1-CD2 3.7Å; I140-L176 HydrophobicContact CD1-CG 3.5Å; I140-L176 HydrophobicContact CG1-CD1 3.6Å; I140-L176 HydrophobicContact CG1-CD2 3.55Å; I140-L176 HydrophobicContact CG1-CG 3.36Å; I140-C188 VanDerWaalsContact CD1-SG 3.56Å
141S89.1Confident89.8Confident5 Ų538 Ų384%0.03518%0.182CC..  trans-98.4-178.5163.377.80000110.4D122 S123 V139 E143 D144 M172D122-S141 VanDerWaalsContact OD2-CB 3.27Å; D122-S141 WeakPolarHBondContact OD2-CB 3.43Å; S123-S141 WeakPolarHBondContact O-CA 3.5Å; V139-S141 PolarHBondContact O-N 3.05Å; S141-E143 VanDerWaalsContact C-N 3.32Å; S141-E143 PolarHBondContact O-N 3.07Å; S141-D144 WeakPolarHBondContact CA-O 3.44Å; S141-D144 WeakPolarHBondContact CB-O 3.23Å; S141-D144 PolarHBondContact N-O 3.13Å; S141-D144 PolarHBondContact OG-N 2.81Å; S141-D144 VanDerWaalsContact OG-N 3.07Å; S141-D144 PolarHBondContact OG-O 2.98Å; S141-M172 WeakPolarHBondContact O-CB 3.41Å
142R84.8Confident89.2Confident121 Ų12141.6 Ų41.646%0.45719%0.192SC..SBendtrans-67.2-35.8-178.1-67.9178.1-177.5-101.4-3.5112.5A63 D122 S123 M172A63-R142 PolarHBondContact O-NH2 3.46Å; D122-R142 WeakPolarHBondContact OD1-CD 3.5Å; D122-R142 IonicContact OD1-NE 2.98Å; D122-R142 PolarHBondContact OD2-N 3.13Å; S123-R142 PolarHBondContact OG-NE 2.96Å; S123-R142 PolarHBondContact OG-NH2 3.15Å; R142-M172 PolarHBondContact O-N 3.42Å
143E81.8Confident88.4Confident128 Ų12839.2 Ų39.260%0.59818%0.183SC*.SBendtrans-105.3-40.3-173.1-61.3-171.3167.200113S141 M172S141-E143 VanDerWaalsContact C-N 3.32Å; S141-E143 PolarHBondContact O-N 3.07Å; E143-M172 VanDerWaalsContact O-CE 3.27Å; E143-M172 WeakPolarHBondContact O-CE 3.49Å
144D88.2Confident86.9Confident7 Ų740.5 Ų40.54%0.03720%0.196CC..  trans-126.1157-171.1-66.3-43.3000111.1S141 L146 K165 R167S141-D144 WeakPolarHBondContact CA-O 3.44Å; S141-D144 WeakPolarHBondContact CB-O 3.23Å; S141-D144 PolarHBondContact N-O 3.13Å; S141-D144 PolarHBondContact OG-N 2.81Å; S141-D144 VanDerWaalsContact OG-N 3.07Å; S141-D144 PolarHBondContact OG-O 2.98Å; D144-L146 HydrophobicContact CB-CD2 3.98Å; D144-K165 HydrophobicContact CB-CB 4.47Å; D144-K165 WeakPolarHBondContact OD2-CD 3.37Å; D144-K165 IonicContact OD2-NZ 2.96Å; D144-R167 WeakPolarHBondContact OD1-CD 3.35Å; D144-R167 WeakPolarHBondContact OD1-CG 3.45Å; D144-R167 IonicContact OD1-CZ 3.91Å; D144-R167 IonicContact OD1-NE 3.52Å; D144-R167 PolarHBondContact OD1-NE 2.87Å; D144-R167 IonicContact OD1-NH2 3.48Å; D144-R167 IonicContact OD2-CZ 3.32Å; D144-R167 IonicContact OD2-NE 3.16Å; D144-R167 IonicContact OD2-NH2 2.67Å; D144-R167 PolarHBondContact OD2-NH2 3.2Å; D144-R167 VanDerWaalsContact OD2-NH2 3.15Å
145V92.9Very high85.7Confident0 Ų047.3 Ų47.30%022%0.216CC..EExtended strand (participates in β ladder)trans-92.1117.6158.5-177.80000107.7A138 V139 I140 L166 M172 L176 L186 C188A138-V145 HydrophobicContact CB-CG1 4.2Å; V139-V145 CarbonylContact O-C 3.6Å; V139-V145 WeakPolarHBondContact O-CA 3.35Å; I140-V145 HydrophobicContact CG1-CG2 4.19Å; V145-L166 HydrophobicContact CB-CB 4.05Å; V145-L166 HydrophobicContact CB-CD1 4.28Å; V145-L166 HydrophobicContact CB-CG 4.48Å; V145-L166 HydrophobicContact CG1-CD1 4.07Å; V145-L166 PolarHBondContact N-O 2.84Å; V145-L166 VanDerWaalsContact N-O 3.12Å; V145-L166 WeakPolarHBondContact O-CB 3.34Å; V145-L166 PolarHBondContact O-N 3.47Å; V145-M172 HydrophobicContact CG2-CG 4.39Å; V145-M172 HydrophobicContact CG2-SD 4.04Å; V145-L176 HydrophobicContact CG1-CD1 4.31Å; V145-L176 HydrophobicContact CG1-CD2 4.1Å; V145-L176 HydrophobicContact CG2-CD2 4.2Å; V145-L186 HydrophobicContact CG1-CD2 4.11Å; V145-C188 HydrophobicContact CG2-CB 4.18Å
146L92.1Very high84.2Confident15 Ų1549.5 Ų49.58%0.07923%0.228CC..EExtended strand (participates in β ladder)trans-90.6133.4-177.2-55.1-180000109.7A138 V139 D144 F148 A162 K165A138-L146 CarbonylContact C-O 3.57Å; A138-L146 WeakPolarHBondContact CA-O 2.96Å; V139-L146 HydrophobicContact CB-CB 4.48Å; V139-L146 PolarHBondContact N-O 3.49Å; V139-L146 PolarHBondContact O-N 3.01Å; D144-L146 HydrophobicContact CB-CD2 3.98Å; L146-F148 HydrophobicContact CB-CD2 4.41Å; L146-F148 HydrophobicContact CB-CE2 3.42Å; L146-F148 VanDerWaalsContact CB-CE2 3.42Å; L146-F148 HydrophobicContact CB-CZ 3.65Å; L146-F148 HydrophobicContact CD1-CE2 4.35Å; L146-F148 HydrophobicContact CD1-CZ 3.98Å; L146-F148 HydrophobicContact CG-CZ 4.46Å; L146-A162 HydrophobicContact CB-CB 4.06Å; L146-A162 HydrophobicContact CD2-CB 4.11Å; L146-K165 HydrophobicContact CD2-CG 3.94Å
147F90.6Very high82.4Confident12 Ų1252.9 Ų52.95%0.05325%0.253CS..EExtended strand (participates in β ladder)trans-113.6132.2178.5-179.1-98000110.9K136 E163 V164 W178 I200K136-F147 HydrophobicContact CB-CE2 3.83Å; K136-F147 HydrophobicContact CB-CZ 3.73Å; K136-F147 HydrophobicContact CD-CE2 4.32Å; K136-F147 HydrophobicContact CD-CZ 3.66Å; K136-F147 HydrophobicContact CG-CE1 4.47Å; K136-F147 HydrophobicContact CG-CE2 4.19Å; K136-F147 HydrophobicContact CG-CZ 3.57Å; F147-E163 HydrophobicContact CD1-CB 4.42Å; F147-E163 PolarHBondContact O-N 3.25Å; F147-V164 HydrophobicContact CB-CB 4.15Å; F147-V164 HydrophobicContact CD1-CB 4.37Å; F147-V164 HydrophobicContact CD1-CG2 4.19Å; F147-V164 PolarHBondContact N-O 3.03Å; F147-V164 PolarHBondContact O-N 3.4Å; F147-W178 HydrophobicContact CD2-CH2 4.16Å; F147-W178 HydrophobicContact CD2-CZ2 4.26Å; F147-W178 AromaticContact CE2-CH2 3.92Å; F147-W178 HydrophobicContact CE2-CH2 3.92Å; F147-W178 HydrophobicContact CE2-CZ2 4.14Å; F147-I200 HydrophobicContact CD2-CD1 4.49Å; F147-I200 HydrophobicContact CE2-CD1 3.59Å; F147-I200 HydrophobicContact CZ-CD1 3.65Å
148F88.4Confident80.7Confident2 Ų259.9 Ų59.91%0.00929%0.286CS..EExtended strand (participates in β ladder)trans-127.8136.5-175.8-58.7-87000111.5L120 K136 I137 V139 L146 A162L120-F148 HydrophobicContact CD2-CE1 3.82Å; L120-F148 HydrophobicContact CD2-CE2 3.92Å; L120-F148 HydrophobicContact CD2-CZ 3.3Å; K136-F148 WeakPolarHBondContact CA-O 3.3Å; I137-F148 PolarHBondContact N-O 3.42Å; I137-F148 PolarHBondContact O-N 3.38Å; V139-F148 HydrophobicContact CB-CE2 4.1Å; V139-F148 HydrophobicContact CG2-CD2 3.93Å; V139-F148 HydrophobicContact CG2-CE2 3.71Å; L146-F148 HydrophobicContact CB-CD2 4.41Å; L146-F148 HydrophobicContact CB-CE2 3.42Å; L146-F148 VanDerWaalsContact CB-CE2 3.42Å; L146-F148 HydrophobicContact CB-CZ 3.65Å; L146-F148 HydrophobicContact CD1-CE2 4.35Å; L146-F148 HydrophobicContact CD1-CZ 3.98Å; L146-F148 HydrophobicContact CG-CZ 4.46Å; F148-A162 HydrophobicContact CD1-CB 4.43Å; F148-A162 VanDerWaalsContact CE1-CA 3.45Å; F148-A162 HydrophobicContact CE1-CB 3.79Å; F148-A162 HydrophobicContact CZ-CB 3.87Å
149D87.3Confident79.1Confident33 Ų3364.7 Ų64.718%0.17632%0.315CS..EExtended strand (participates in β ladder)trans-89.4103.3155.4-175.7-10.2000109.2N135 K151 K152 C153 E163N135-D149 WeakPolarHBondContact CB-OD1 3.41Å; N135-D149 CarbonylContact O-C 3.53Å; N135-D149 WeakPolarHBondContact O-CA 2.93Å; D149-K151 PolarHBondContact O-N 2.89Å; D149-K151 VanDerWaalsContact O-N 3.13Å; D149-K151 WeakPolarHBondContact OD1-CB 3.29Å; D149-K151 PolarHBondContact OD1-N 3.32Å; D149-K152 HydrophobicContact CB-CB 4.33Å; D149-K152 HydrophobicContact CB-CD 3.97Å; D149-K152 HydrophobicContact CB-CG 4.07Å; D149-K152 WeakPolarHBondContact O-CB 3.36Å; D149-K152 PolarHBondContact O-N 3.33Å; D149-K152 WeakPolarHBondContact OD2-CE 3.13Å; D149-K152 IonicContact OD2-NZ 2.96Å; D149-C153 PolarHBondContact O-N 3.32Å; D149-C153 VanDerWaalsContact O-N 3.17Å; D149-C153 PolarHBondContact O-SG 3.18Å; D149-C153 VanDerWaalsContact O-SG 3.32Å; D149-E163 WeakPolarHBondContact CB-OE2 3.41Å
150W87.1Confident77.5Confident13 Ų1365.6 Ų65.65%0.04932%0.324CS..THydrogen-bonded Turntrans-54.1-32.4179.3-166.6-112.1000112.6I70 I72 R116 V118 N135 I137 K152I70-W150 HydrophobicContact CD1-CE3 4.34Å; I70-W150 HydrophobicContact CD1-CZ3 3.74Å; I70-W150 HydrophobicContact CG1-CZ3 4.04Å; I72-W150 HydrophobicContact CB-CZ2 3.98Å; I72-W150 HydrophobicContact CD1-CD2 4.1Å; I72-W150 HydrophobicContact CD1-CG 4.24Å; I72-W150 HydrophobicContact CD1-CZ2 3.71Å; I72-W150 HydrophobicContact CG1-CH2 4.3Å; I72-W150 HydrophobicContact CG1-CZ2 3.5Å; I72-W150 VanDerWaalsContact CG1-CZ2 3.5Å; R116-W150 HydrophobicContact CB-CZ2 4.36Å; R116-W150 HydrophobicContact CG-CZ2 3.62Å; R116-W150 VanDerWaalsContact NE-NE1 3.14Å; R116-W150 PolarHBondContact NH1-O 2.9Å; R116-W150 PolarHBondContact NH2-O 2.93Å; V118-W150 HydrophobicContact CB-CZ3 4.16Å; V118-W150 HydrophobicContact CG2-CE3 4.3Å; V118-W150 HydrophobicContact CG2-CH2 3.85Å; V118-W150 HydrophobicContact CG2-CZ3 3.46Å; V118-W150 VanDerWaalsContact CG2-CZ3 3.46Å; N135-W150 WeakPolarHBondContact O-CB 3.49Å; N135-W150 PolarHBondContact O-N 2.99Å; I137-W150 HydrophobicContact CD1-CB 4.01Å; I137-W150 HydrophobicContact CD1-CD2 3.84Å; I137-W150 HydrophobicContact CD1-CE3 3.69Å; I137-W150 HydrophobicContact CD1-CG 4.03Å; I137-W150 HydrophobicContact CD1-CZ3 4.38Å; W150-K152 PolarHBondContact O-N 3.36Å
151K84Confident76.3Confident151 Ų15171.8 Ų71.866%0.65736%0.362SS*.THydrogen-bonded Turntrans-65.5-31.1176.3-80.9174.2171.8168.50112.6N135 D149N135-K151 HydrophobicContact CB-CD 4.17Å; N135-K151 HydrophobicContact CB-CG 4.06Å; N135-K151 VanDerWaalsContact CG-CD 3.46Å; N135-K151 WeakPolarHBondContact ND2-CE 3.48Å; N135-K151 PolarHBondContact ND2-NZ 3.02Å; N135-K151 VanDerWaalsContact ND2-NZ 3.12Å; N135-K151 VanDerWaalsContact OD1-CE 3.22Å; N135-K151 WeakPolarHBondContact OD1-CE 3.33Å; N135-K151 WeakPolarHBondContact OD1-CG 3.11Å; D149-K151 PolarHBondContact O-N 2.89Å; D149-K151 VanDerWaalsContact O-N 3.13Å; D149-K151 WeakPolarHBondContact OD1-CB 3.29Å; D149-K151 PolarHBondContact OD1-N 3.32Å
152K81.1Confident75.7Confident130 Ų13072.6 Ų72.657%0.56537%0.369SS*.THydrogen-bonded Turntrans-86.4-27.2-178.1-61.5179.8-165.5156.70113.1D149 W150 A154 E163D149-K152 HydrophobicContact CB-CB 4.33Å; D149-K152 HydrophobicContact CB-CD 3.97Å; D149-K152 HydrophobicContact CB-CG 4.07Å; D149-K152 WeakPolarHBondContact O-CB 3.36Å; D149-K152 PolarHBondContact O-N 3.33Å; D149-K152 WeakPolarHBondContact OD2-CE 3.13Å; D149-K152 IonicContact OD2-NZ 2.96Å; W150-K152 PolarHBondContact O-N 3.36Å; K152-A154 PolarHBondContact O-N 2.86Å; K152-E163 IonicContact NZ-OE1 2.77Å; K152-E163 PolarHBondContact NZ-OE1 3.21Å; K152-E163 IonicContact NZ-OE2 3.51Å; K152-E163 PolarHBondContact NZ-OE2 3Å
153C76.1Confident75.5Confident19 Ų1970.8 Ų70.813%0.12837%0.365CS..SBendtrans-61.8126.7178.7-48.50000109.9R116 V118 D149R116-C153 PolarHBondContact NH2-O 2.81Å; V118-C153 HydrophobicContact CG2-CB 3.93Å; D149-C153 PolarHBondContact O-N 3.32Å; D149-C153 VanDerWaalsContact O-N 3.17Å; D149-C153 PolarHBondContact O-SG 3.18Å; D149-C153 VanDerWaalsContact O-SG 3.32Å
154A60.8Low75.8Confident58 Ų5865.6 Ų65.648%0.47934%0.342SS..  trans-58.7148.5-175.900000111.9K152 N156K152-A154 PolarHBondContact O-N 2.86Å; A154-N156 PolarHBondContact O-N 3.11Å
155R59.7Low76Confident209 Ų20969.2 Ų69.279%0.78936%0.358SS*.SBendtrans-71.4100.2173.1-76.6179.9169.2171.6-3.6108.8
156N56.5Low75.9Confident91 Ų9169.3 Ų69.349%0.48736%0.358SS..SBendtrans77.8129.5170-58.4-21.2000117.7A154 E158A154-N156 PolarHBondContact O-N 3.11Å; N156-E158 PolarHBondContact O-N 2.79Å
157T54.1Low75.8Confident117 Ų11773.3 Ų73.372%0.71837%0.373SS*.SBendtrans6518.9154.854.80000120
158E57.6Low75.3Confident147 Ų14773.6 Ų73.669%0.68738%0.378SS*.SBendtrans-101.8139.2157-68.3-178.7179.600108.4N156 G160N156-E158 PolarHBondContact O-N 2.79Å; E158-G160 PolarHBondContact O-N 3Å
159T60.5Low74.9Confident100 Ų10074.8 Ų74.861%0.61339%0.387SS*.  trans-50.9119.7174.138.70000108.4V161T159-V161 PolarHBondContact O-N 3.43Å
160G60.5Low74.4Confident19 Ų1981.5 Ų81.520%0.19642%0.418CS..  trans-59.8109.4-17600000109.7V118 E119 E158 A162V118-G160 VanDerWaalsContact CG1-CA 3.47Å; E119-G160 PolarHBondContact O-N 2.81Å; E158-G160 PolarHBondContact O-N 3Å; G160-A162 PolarHBondContact O-N 3.29Å; G160-A162 VanDerWaalsContact O-N 3.1Å
161V68.9Low74.2Confident131 Ų13185.9 Ų85.979%0.79444%0.437SS*.  trans-72.7107.7172.7-175.90000106.9T159 E163T159-V161 PolarHBondContact O-N 3.43Å; V161-E163 PolarHBondContact O-N 2.72Å
162A76.2Confident74.3Confident21 Ų2178.9 Ų78.917%0.17441%0.407CS..  trans-56.5134169.800000108.7L146 F148 G160 V164L146-A162 HydrophobicContact CB-CB 4.06Å; L146-A162 HydrophobicContact CD2-CB 4.11Å; F148-A162 HydrophobicContact CD1-CB 4.43Å; F148-A162 VanDerWaalsContact CE1-CA 3.45Å; F148-A162 HydrophobicContact CE1-CB 3.79Å; F148-A162 HydrophobicContact CZ-CB 3.87Å; G160-A162 PolarHBondContact O-N 3.29Å; G160-A162 VanDerWaalsContact O-N 3.1Å; A162-V164 VanDerWaalsContact C-N 3.33Å
163E81.3Confident74.5Confident83 Ų8372.7 Ų72.739%0.38838%0.38SS..SBendtrans-68.4-40.9177.3-175.5164.3178.800109.7F147 D149 K152 V161F147-E163 HydrophobicContact CD1-CB 4.42Å; F147-E163 PolarHBondContact O-N 3.25Å; D149-E163 WeakPolarHBondContact CB-OE2 3.41Å; K152-E163 IonicContact NZ-OE1 2.77Å; K152-E163 PolarHBondContact NZ-OE1 3.21Å; K152-E163 IonicContact NZ-OE2 3.51Å; K152-E163 PolarHBondContact NZ-OE2 3Å; V161-E163 PolarHBondContact O-N 2.72Å
164V88.3Confident75.2Confident19 Ų1975.9 Ų75.912%0.11539%0.393CS..EExtended strand (participates in β ladder)trans-139.4141.2179.9-175.90000109.9F147 A162 L166 E204 L209F147-V164 HydrophobicContact CB-CB 4.15Å; F147-V164 HydrophobicContact CD1-CB 4.37Å; F147-V164 HydrophobicContact CD1-CG2 4.19Å; F147-V164 PolarHBondContact N-O 3.03Å; F147-V164 PolarHBondContact O-N 3.4Å; A162-V164 VanDerWaalsContact C-N 3.33Å; V164-L166 HydrophobicContact CG1-CD2 3.81Å; V164-E204 WeakPolarHBondContact CB-OE2 3.44Å; V164-E204 WeakPolarHBondContact CG1-OE2 3.38Å; V164-E204 WeakPolarHBondContact CG2-OE2 3.49Å; V164-L209 HydrophobicContact CG1-CB 3.86Å
165K91.1Very high76.8Confident84 Ų8473.8 Ų73.837%0.36537%0.374SS..EExtended strand (participates in β ladder)trans-102.6117.7166.9-65.9-177.5165.4-152.40109.8D144 L146 G207 V208 L209D144-K165 HydrophobicContact CB-CB 4.47Å; D144-K165 WeakPolarHBondContact OD2-CD 3.37Å; D144-K165 IonicContact OD2-NZ 2.96Å; L146-K165 HydrophobicContact CD2-CG 3.94Å; K165-G207 PolarHBondContact N-O 2.83Å; K165-V208 HydrophobicContact CB-CG2 4.41Å; K165-V208 CarbonylContact O-C 3.57Å; K165-V208 VanDerWaalsContact O-CA 3.29Å; K165-V208 WeakPolarHBondContact O-CA 3.36Å; K165-L209 PolarHBondContact O-N 3.34Å
166L92.1Very high78.5Confident1 Ų164.2 Ų64.21%0.00534%0.339CS..EExtended strand (participates in β ladder)trans-89.1119.3176.8-46.6178.5000109.1V145 V164 L186 W198 I200 L209V145-L166 HydrophobicContact CB-CB 4.05Å; V145-L166 HydrophobicContact CB-CD1 4.28Å; V145-L166 HydrophobicContact CB-CG 4.48Å; V145-L166 HydrophobicContact CG1-CD1 4.07Å; V145-L166 PolarHBondContact N-O 2.84Å; V145-L166 VanDerWaalsContact N-O 3.12Å; V145-L166 WeakPolarHBondContact O-CB 3.34Å; V145-L166 PolarHBondContact O-N 3.47Å; V164-L166 HydrophobicContact CG1-CD2 3.81Å; L166-L186 HydrophobicContact CD1-CD2 3.56Å; L166-W198 HydrophobicContact CB-CD2 4.16Å; L166-W198 HydrophobicContact CB-CG 4.15Å; L166-W198 HydrophobicContact CB-CZ2 4.4Å; L166-W198 HydrophobicContact CD1-CB 4.44Å; L166-W198 HydrophobicContact CD1-CD2 4.46Å; L166-W198 HydrophobicContact CD1-CG 4.26Å; L166-W198 HydrophobicContact CD2-CG 4.41Å; L166-I200 HydrophobicContact CD1-CG2 4.33Å; L166-I200 HydrophobicContact CD2-CG2 4.36Å; L166-L209 WeakPolarHBondContact CA-O 3.48Å; L166-L209 HydrophobicContact CD2-CB 3.83Å; L166-L209 HydrophobicContact CD2-CD2 3.88Å; L166-L209 HydrophobicContact CD2-CG 4.31Å
167R90.2Very high80.5Confident100 Ų10060.6 Ų60.638%0.37732%0.32SS..EExtended strand (participates in β ladder)trans-115.8140.2-178.7-78.2-174.3178.9-179.4-3.1111.5D144 W198 V208 L209 M210 A211D144-R167 WeakPolarHBondContact OD1-CD 3.35Å; D144-R167 WeakPolarHBondContact OD1-CG 3.45Å; D144-R167 IonicContact OD1-CZ 3.91Å; D144-R167 IonicContact OD1-NE 3.52Å; D144-R167 PolarHBondContact OD1-NE 2.87Å; D144-R167 IonicContact OD1-NH2 3.48Å; D144-R167 IonicContact OD2-CZ 3.32Å; D144-R167 IonicContact OD2-NE 3.16Å; D144-R167 IonicContact OD2-NH2 2.67Å; D144-R167 PolarHBondContact OD2-NH2 3.2Å; D144-R167 VanDerWaalsContact OD2-NH2 3.15Å; R167-W198 PolarHBondContact O-NE1 3.43Å; R167-W198 VanDerWaalsContact O-NE1 3.14Å; R167-V208 HydrophobicContact CB-CG1 4.06Å; R167-V208 HydrophobicContact CG-CG1 3.99Å; R167-L209 PolarHBondContact N-O 2.89Å; R167-M210 HydrophobicContact CB-CE 4.36Å; R167-M210 HydrophobicContact CB-SD 3.71Å; R167-M210 CarbonylContact O-C 3.49Å; R167-M210 VanDerWaalsContact O-CA 3.3Å; R167-M210 WeakPolarHBondContact O-CA 3.02Å; R167-A211 PolarHBondContact O-N 3.02Å
168G80.1Confident82.5Confident17 Ų1755.6 Ų55.618%0.17529%0.288CS..SBendtrans-163.3-20.8179.800000114.9
169S80Confident84.4Confident27 Ų2748.6 Ų48.619%0.18926%0.256CS..SBendtrans-147.3164.2176.8-1720000109.8M172 S190 N192S169-M172 WeakPolarHBondContact O-CE 3.41Å; S169-S190 WeakPolarHBondContact CB-OG 2.9Å; S169-S190 PolarHBondContact OG-OG 3Å; S169-N192 PolarHBondContact OG-ND2 3.34Å
170E75.7Confident86.1Confident175 Ų17547.3 Ų47.382%0.81825%0.248SC*.SBendtrans-76.9-21.9178.4-58.9179.2168.300113.1
171K83.9Confident87.8Confident105 Ų10550.3 Ų50.346%0.45726%0.259SS..SBendtrans-140.7114.7-178.8-165.8173.6-174.2-164.50111.5S190 E191K171-S190 WeakPolarHBondContact O-CB 2.96Å; K171-S190 PolarHBondContact O-OG 2.81Å; K171-E191 HydrophobicContact CB-CB 4.41Å; K171-E191 HydrophobicContact CD-CB 4.12Å; K171-E191 HydrophobicContact CD-CG 4.26Å; K171-E191 WeakPolarHBondContact CD-OE2 3.39Å; K171-E191 WeakPolarHBondContact CE-OE2 3.35Å; K171-E191 HydrophobicContact CG-CB 4.21Å; K171-E191 HydrophobicContact CG-CG 4.23Å; K171-E191 IonicContact NZ-OE2 2.63Å; K171-E191 PolarHBondContact NZ-OE2 2.75Å; K171-E191 PolarHBondContact O-N 3.42Å
172M85.5Confident89.2Confident4 Ų445.7 Ų45.72%0.0223%0.231CC..EExtended strand (participates in β ladder)trans-74.1149.1-179.5-62.1-59138.200111.4I140 S141 R142 E143 V145 S169I140-M172 HydrophobicContact CG2-CB 3.57Å; I140-M172 HydrophobicContact CG2-CG 4.35Å; S141-M172 WeakPolarHBondContact O-CB 3.41Å; R142-M172 PolarHBondContact O-N 3.42Å; E143-M172 VanDerWaalsContact O-CE 3.27Å; E143-M172 WeakPolarHBondContact O-CE 3.49Å; V145-M172 HydrophobicContact CG2-CG 4.39Å; V145-M172 HydrophobicContact CG2-SD 4.04Å; S169-M172 WeakPolarHBondContact O-CE 3.41Å
173G86.1Confident90.1Very high0 Ų049.2 Ų49.20%024%0.244CC..EExtended strand (participates in β ladder)trans-88.3-152.317500000111.5L125 I140 A189L125-G173 WeakPolarHBondContact CD1-O 3.28Å; I140-G173 WeakPolarHBondContact CG2-O 3.3Å; G173-A189 VanDerWaalsContact CA-O 3.23Å; G173-A189 WeakPolarHBondContact CA-O 3.25Å; G173-A189 PolarHBondContact N-O 2.86Å
174H90.4Very high90.8Very high86 Ų8645.3 Ų45.340%0.39823%0.225SC..EExtended strand (participates in β ladder)trans-117.68.6-175.1-66.1-87.2000113.9
175S94.9Very high91.2Very high13 Ų1346.6 Ų46.69%0.09123%0.23CC..EExtended strand (participates in β ladder)trans-131.1123.9-172.1-178.20000111.9C188 A189 N222 A223 V224S175-C188 WeakPolarHBondContact O-CA 3.18Å; S175-A189 PolarHBondContact O-N 2.93Å; S175-N222 WeakPolarHBondContact CB-O 3.31Å; S175-A223 WeakPolarHBondContact OG-CA 3.14Å; S175-V224 PolarHBondContact OG-N 3.34Å; S175-V224 PolarHBondContact OG-O 3.24Å
176L95.4Very high91.4Very high9 Ų942.6 Ų42.65%0.04721%0.212CC..EExtended strand (participates in β ladder)trans-111.3151.6168.1-70179000110.4E126 L128 A138 I140 V145 L186 L187 C188E126-L176 HydrophobicContact CG-CB 4.39Å; L128-L176 HydrophobicContact CD1-CB 3.61Å; L128-L176 VanDerWaalsContact CD1-O 3.32Å; L128-L176 WeakPolarHBondContact CD1-O 3.46Å; L128-L176 HydrophobicContact CG-CB 4.34Å; A138-L176 HydrophobicContact CB-CD1 3.93Å; I140-L176 HydrophobicContact CD1-CD1 4.29Å; I140-L176 HydrophobicContact CD1-CD2 3.7Å; I140-L176 HydrophobicContact CD1-CG 3.5Å; I140-L176 HydrophobicContact CG1-CD1 3.6Å; I140-L176 HydrophobicContact CG1-CD2 3.55Å; I140-L176 HydrophobicContact CG1-CG 3.36Å; V145-L176 HydrophobicContact CG1-CD1 4.31Å; V145-L176 HydrophobicContact CG1-CD2 4.1Å; V145-L176 HydrophobicContact CG2-CD2 4.2Å; L176-L186 HydrophobicContact CB-CD1 4.28Å; L176-L186 HydrophobicContact CD2-CD1 4.15Å; L176-L186 HydrophobicContact CD2-CD2 4.31Å; L176-L186 HydrophobicContact CD2-CG 4.36Å; L176-L187 WeakPolarHBondContact CA-O 3.46Å; L176-C188 HydrophobicContact CD2-CB 3.62Å
177S97.2Very high91.7Very high14 Ų1442.6 Ų42.610%0.09821%0.212CC..EExtended strand (participates in β ladder)trans-146.1117.6165.7-172.30000110.9L187 S225 W226S177-L187 PolarHBondContact N-O 2.73Å; S177-L187 PolarHBondContact O-N 2.9Å; S177-S225 WeakPolarHBondContact OG-CA 3.41Å; S177-W226 PolarHBondContact O-NE1 3.22Å; S177-W226 VanDerWaalsContact O-NE1 3.13Å; S177-W226 PolarHBondContact OG-N 2.92Å
178W97.2Very high91.9Very high12 Ų1237.9 Ų37.95%0.04519%0.194CC..EExtended strand (participates in β ladder)trans-76.7140.4167.4-74.5110000110.1L128 M130 P131 A138 F147 T180 L186 I200L128-W178 PolarHBondContact O-NE1 2.86Å; M130-W178 HydrophobicContact CB-CD2 4.12Å; M130-W178 HydrophobicContact CB-CE3 4.44Å; M130-W178 HydrophobicContact CB-CZ2 4.22Å; M130-W178 HydrophobicContact CG-CD2 3.89Å; M130-W178 HydrophobicContact CG-CE3 3.78Å; M130-W178 HydrophobicContact CG-CG 4.46Å; M130-W178 HydrophobicContact CG-CH2 4.39Å; M130-W178 HydrophobicContact CG-CZ2 4.45Å; M130-W178 HydrophobicContact CG-CZ3 4.05Å; M130-W178 HydrophobicContact SD-CE3 4.37Å; M130-W178 HydrophobicContact SD-CH2 4.38Å; M130-W178 HydrophobicContact SD-CZ3 4.09Å; P131-W178 HydrophobicContact CG-CB 4.16Å; A138-W178 HydrophobicContact CB-CZ2 3.56Å; F147-W178 HydrophobicContact CD2-CH2 4.16Å; F147-W178 HydrophobicContact CD2-CZ2 4.26Å; F147-W178 AromaticContact CE2-CH2 3.92Å; F147-W178 HydrophobicContact CE2-CH2 3.92Å; F147-W178 HydrophobicContact CE2-CZ2 4.14Å; W178-T180 PolarHBondContact O-N 2.87Å; W178-L186 HydrophobicContact CD2-CB 4.4Å; W178-L186 HydrophobicContact CD2-CD1 3.69Å; W178-L186 HydrophobicContact CE3-CB 3.84Å; W178-L186 HydrophobicContact CE3-CD1 4.03Å; W178-L186 HydrophobicContact CE3-CG 4.44Å; W178-L186 HydrophobicContact CG-CD1 4.01Å; W178-L186 HydrophobicContact CH2-CB 4.12Å; W178-L186 HydrophobicContact CH2-CD2 4.06Å; W178-L186 HydrophobicContact CH2-CG 4.47Å; W178-L186 HydrophobicContact CZ2-CD1 4.26Å; W178-L186 HydrophobicContact CZ2-CD2 4.11Å; W178-L186 HydrophobicContact CZ3-CB 3.68Å; W178-L186 HydrophobicContact CZ3-CD1 4.42Å; W178-L186 HydrophobicContact CZ3-CD2 4.46Å; W178-L186 HydrophobicContact CZ3-CG 4.41Å; W178-I200 HydrophobicContact CH2-CD1 3.83Å; W178-I200 HydrophobicContact CH2-CG2 3.91Å; W178-I200 HydrophobicContact CZ3-CD1 3.99Å; W178-I200 HydrophobicContact CZ3-CG2 4.12Å
179S97.5Very high92.6Very high1 Ų137 Ų371%0.00719%0.186CC..  trans-69.3127.4167.5-178.40000108.9Q132 L181 V182 F185Q132-S179 PolarHBondContact NE2-O 3.35Å; S179-L181 VanDerWaalsContact C-N 3.29Å; S179-L181 PolarHBondContact OG-N 2.91Å; S179-V182 WeakPolarHBondContact CB-O 3.44Å; S179-V182 PolarHBondContact OG-N 2.84Å; S179-F185 PolarHBondContact N-O 3.35Å
180T95.6Very high93.1Very high72 Ų7235.9 Ų35.944%0.44218%0.178SC..SBendtrans-77.4-20.1172.8530000111.9P131 Q132 W178P131-T180 HydrophobicContact CG-CG2 4.11Å; Q132-T180 VanDerWaalsContact NE2-C 3.26Å; Q132-T180 PolarHBondContact NE2-O 3.19Å; W178-T180 PolarHBondContact O-N 2.87Å
181L97Very high93.7Very high83 Ų8329.5 Ų29.544%0.43515%0.148SC..SBendtrans-101.2-31.9-173.2-59.7174.8000113.3S179 L229 H230 E231S179-L181 VanDerWaalsContact C-N 3.29Å; S179-L181 PolarHBondContact OG-N 2.91Å; L181-L229 VanDerWaalsContact CD1-C 3.42Å; L181-H230 VanDerWaalsContact CD1-N 3.34Å; L181-E231 HydrophobicContact CB-CB 4.15Å; L181-E231 HydrophobicContact CD1-CB 4.33Å
182V97.2Very high93.9Very high33 Ų3328 Ų2820%0.215%0.145CC..SBendtrans-116.4114.7-179.2-172.30000109.4S179 G184 F185 E231S179-V182 WeakPolarHBondContact CB-O 3.44Å; S179-V182 PolarHBondContact OG-N 2.84Å; V182-G184 PolarHBondContact O-N 3.16Å; V182-F185 HydrophobicContact CB-CB 4.27Å; V182-F185 HydrophobicContact CB-CD1 4.38Å; V182-F185 HydrophobicContact CB-CD2 4.14Å; V182-F185 HydrophobicContact CB-CG 4.03Å; V182-F185 HydrophobicContact CG1-CB 4.4Å; V182-F185 HydrophobicContact CG1-CD1 3.6Å; V182-F185 HydrophobicContact CG1-CD2 3.94Å; V182-F185 HydrophobicContact CG1-CE1 3.73Å; V182-F185 HydrophobicContact CG1-CE2 4.05Å; V182-F185 HydrophobicContact CG1-CG 3.72Å; V182-F185 HydrophobicContact CG1-CZ 3.95Å; V182-F185 PolarHBondContact O-N 2.86Å; V182-E231 HydrophobicContact CG2-CB 3.68Å
183E96.2Very high94.3Very high96 Ų9629.5 Ų29.545%0.44916%0.155SC..THydrogen-bonded Turntrans-58.8128.9179.3-179.4172.8177.800111.2M130 Q132 F185 N201M130-E183 HydrophobicContact CE-CG 3.73Å; M130-E183 HydrophobicContact SD-CG 4.48Å; Q132-E183 HydrophobicContact CB-CG 4.31Å; Q132-E183 HydrophobicContact CG-CB 4.32Å; E183-F185 VanDerWaalsContact C-N 3.33Å; E183-F185 PolarHBondContact O-N 2.81Å; E183-N201 PolarHBondContact O-ND2 3.39Å; E183-N201 VanDerWaalsContact O-ND2 3.15Å
184G94.7Very high94.7Very high0 Ų030.7 Ų30.70%016%0.163CC..THydrogen-bonded Turntrans84.4-1.1172.300000116V182 I200V182-G184 PolarHBondContact O-N 3.16Å; G184-I200 PolarHBondContact O-N 3.04Å
185F96.8Very high94.9Very high47 Ų4726.6 Ų26.621%0.20614%0.144CC..EExtended strand (participates in β ladder)trans-81.7122.3175.2-8432.1000110.8S179 V182 E183 L197 W198 D199 W226S179-F185 PolarHBondContact N-O 3.35Å; V182-F185 HydrophobicContact CB-CB 4.27Å; V182-F185 HydrophobicContact CB-CD1 4.38Å; V182-F185 HydrophobicContact CB-CD2 4.14Å; V182-F185 HydrophobicContact CB-CG 4.03Å; V182-F185 HydrophobicContact CG1-CB 4.4Å; V182-F185 HydrophobicContact CG1-CD1 3.6Å; V182-F185 HydrophobicContact CG1-CD2 3.94Å; V182-F185 HydrophobicContact CG1-CE1 3.73Å; V182-F185 HydrophobicContact CG1-CE2 4.05Å; V182-F185 HydrophobicContact CG1-CG 3.72Å; V182-F185 HydrophobicContact CG1-CZ 3.95Å; V182-F185 PolarHBondContact O-N 2.86Å; E183-F185 VanDerWaalsContact C-N 3.33Å; E183-F185 PolarHBondContact O-N 2.81Å; F185-L197 HydrophobicContact CD2-CD1 4.35Å; F185-W198 WeakPolarHBondContact CA-O 3.21Å; F185-D199 HydrophobicContact CD1-CB 3.97Å; F185-D199 HydrophobicContact CE1-CB 3.73Å; F185-W226 HydrophobicContact CB-CZ2 4.04Å; F185-W226 HydrophobicContact CD2-CH2 4.04Å; F185-W226 HydrophobicContact CD2-CZ2 4.14Å
186L96.9Very high94.9Very high0 Ų026.2 Ų26.20%014%0.142CC..EExtended strand (participates in β ladder)trans-126.1132.1-179.6-177.561.9000110.8A138 V145 L166 L176 W178 L197 W198A138-L186 HydrophobicContact CB-CD2 3.96Å; V145-L186 HydrophobicContact CG1-CD2 4.11Å; L166-L186 HydrophobicContact CD1-CD2 3.56Å; L176-L186 HydrophobicContact CB-CD1 4.28Å; L176-L186 HydrophobicContact CD2-CD1 4.15Å; L176-L186 HydrophobicContact CD2-CD2 4.31Å; L176-L186 HydrophobicContact CD2-CG 4.36Å; W178-L186 HydrophobicContact CD2-CB 4.4Å; W178-L186 HydrophobicContact CD2-CD1 3.69Å; W178-L186 HydrophobicContact CE3-CB 3.84Å; W178-L186 HydrophobicContact CE3-CD1 4.03Å; W178-L186 HydrophobicContact CE3-CG 4.44Å; W178-L186 HydrophobicContact CG-CD1 4.01Å; W178-L186 HydrophobicContact CH2-CB 4.12Å; W178-L186 HydrophobicContact CH2-CD2 4.06Å; W178-L186 HydrophobicContact CH2-CG 4.47Å; W178-L186 HydrophobicContact CZ2-CD1 4.26Å; W178-L186 HydrophobicContact CZ2-CD2 4.11Å; W178-L186 HydrophobicContact CZ3-CB 3.68Å; W178-L186 HydrophobicContact CZ3-CD1 4.42Å; W178-L186 HydrophobicContact CZ3-CD2 4.46Å; W178-L186 HydrophobicContact CZ3-CG 4.41Å; L186-L197 WeakPolarHBondContact O-CA 3.49Å; L186-W198 PolarHBondContact N-O 2.8Å; L186-W198 PolarHBondContact O-N 2.88Å
187L96.8Very high94.9Very high0 Ų026.2 Ų26.20%014%0.142CC..EExtended strand (participates in β ladder)trans-102.1142.9167-68.3167.5000110.1L176 S177 I195 G196 L197 V224 W226 F234L176-L187 WeakPolarHBondContact CA-O 3.46Å; S177-L187 PolarHBondContact N-O 2.73Å; S177-L187 PolarHBondContact O-N 2.9Å; L187-I195 HydrophobicContact CB-CG2 4.48Å; L187-I195 HydrophobicContact CD2-CG2 3.84Å; L187-G196 WeakPolarHBondContact CA-O 3.22Å; L187-L197 HydrophobicContact CD2-CB 4Å; L187-L197 HydrophobicContact CD2-CD1 3.96Å; L187-L197 HydrophobicContact CG-CD1 4.47Å; L187-V224 HydrophobicContact CB-CB 4.43Å; L187-V224 HydrophobicContact CB-CG2 4.03Å; L187-W226 HydrophobicContact CD1-CD2 3.65Å; L187-W226 HydrophobicContact CD1-CE3 4.33Å; L187-W226 HydrophobicContact CD1-CG 3.88Å; L187-W226 HydrophobicContact CD1-CH2 4.49Å; L187-W226 HydrophobicContact CD1-CZ2 3.87Å; L187-W226 HydrophobicContact CD2-CZ2 4.1Å; L187-W226 HydrophobicContact CG-CD2 4.3Å; L187-W226 HydrophobicContact CG-CZ2 3.69Å; L187-F234 HydrophobicContact CD1-CB 3.54Å; L187-F234 HydrophobicContact CD1-CD1 4.11Å; L187-F234 HydrophobicContact CD1-CD2 3.65Å; L187-F234 HydrophobicContact CD1-CE2 4.35Å; L187-F234 HydrophobicContact CD1-CG 3.51Å; L187-F234 HydrophobicContact CD2-CD2 4.42Å; L187-F234 HydrophobicContact CD2-CE1 4.42Å; L187-F234 HydrophobicContact CD2-CE2 4.33Å; L187-F234 HydrophobicContact CD2-CZ 4.33Å
188C95.7Very high94.8Very high1 Ų125.7 Ų25.71%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-135.5131.7168.3-170.20000110I140 V145 S175 L176 I195 G196 W198I140-C188 VanDerWaalsContact CD1-SG 3.56Å; V145-C188 HydrophobicContact CG2-CB 4.18Å; S175-C188 WeakPolarHBondContact O-CA 3.18Å; L176-C188 HydrophobicContact CD2-CB 3.62Å; C188-I195 WeakPolarHBondContact O-CA 3.41Å; C188-G196 PolarHBondContact N-O 2.7Å; C188-G196 PolarHBondContact O-N 3.02Å; C188-W198 HydrophobicContact CB-CE3 4.46Å; C188-W198 HydrophobicContact CB-CH2 3.7Å; C188-W198 HydrophobicContact CB-CZ3 3.34Å
189A94.4Very high94.6Very high0 Ų026.3 Ų26.30%014%0.142CC..EExtended strand (participates in β ladder)trans-73.7143.7165.800000110.5G173 S175 I221 V224G173-A189 VanDerWaalsContact CA-O 3.23Å; G173-A189 WeakPolarHBondContact CA-O 3.25Å; G173-A189 PolarHBondContact N-O 2.86Å; S175-A189 PolarHBondContact O-N 2.93Å; A189-I221 HydrophobicContact CB-CB 3.98Å; A189-I221 HydrophobicContact CB-CG2 3.54Å; A189-V224 HydrophobicContact CB-CG1 4.05Å; A189-V224 HydrophobicContact CB-CG2 4.29Å
190S89.4Confident94.4Very high3 Ų327.5 Ų27.52%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-118.1152.3171.41700000111.2S169 K171 N192 T194S169-S190 WeakPolarHBondContact CB-OG 2.9Å; S169-S190 PolarHBondContact OG-OG 3Å; K171-S190 WeakPolarHBondContact O-CB 2.96Å; K171-S190 PolarHBondContact O-OG 2.81Å; S190-N192 PolarHBondContact O-N 3.25Å; S190-N192 PolarHBondContact OG-N 3.15Å; S190-N192 VanDerWaalsContact OG-N 3.08Å; S190-T194 VanDerWaalsContact CB-O 3.25Å; S190-T194 WeakPolarHBondContact CB-O 3.18Å; S190-T194 WeakPolarHBondContact CB-OG1 3.34Å; S190-T194 PolarHBondContact N-O 3.46Å
191E88.1Confident94.2Very high41 Ų4128.4 Ų28.419%0.19215%0.15CC..THydrogen-bonded Turntrans-66.5-20.9170.5-60.2-154.2154.700113.5K171 C193 K220K171-E191 HydrophobicContact CB-CB 4.41Å; K171-E191 HydrophobicContact CD-CB 4.12Å; K171-E191 HydrophobicContact CD-CG 4.26Å; K171-E191 WeakPolarHBondContact CD-OE2 3.39Å; K171-E191 WeakPolarHBondContact CE-OE2 3.35Å; K171-E191 HydrophobicContact CG-CB 4.21Å; K171-E191 HydrophobicContact CG-CG 4.23Å; K171-E191 IonicContact NZ-OE2 2.63Å; K171-E191 PolarHBondContact NZ-OE2 2.75Å; K171-E191 PolarHBondContact O-N 3.42Å; E191-C193 PolarHBondContact O-N 2.82Å; E191-C193 VanDerWaalsContact O-N 3.15Å; E191-K220 HydrophobicContact CB-CD 4.49Å; E191-K220 HydrophobicContact CG-CD 4.33Å; E191-K220 IonicContact OE1-NZ 2.71Å; E191-K220 PolarHBondContact OE1-NZ 2.95Å
192N89.2Confident94Very high73 Ų7330.6 Ų30.639%0.3915%0.152SC..THydrogen-bonded Turntrans-88.237.7179.6-64.4-19.2000112.3S169 S190 T194S169-N192 PolarHBondContact OG-ND2 3.34Å; S190-N192 PolarHBondContact O-N 3.25Å; S190-N192 PolarHBondContact OG-N 3.15Å; S190-N192 VanDerWaalsContact OG-N 3.08Å; N192-T194 PolarHBondContact O-N 3.3Å
193C93.3Very high93.7Very high35 Ų3534.8 Ų34.824%0.23618%0.181CC..SBendtrans5622176.4-450000115E191 I216 H217 R219E191-C193 PolarHBondContact O-N 2.82Å; E191-C193 VanDerWaalsContact O-N 3.15Å; C193-I216 CarbonylContact O-C 3.57Å; C193-I216 WeakPolarHBondContact O-CA 3.43Å; C193-H217 HydrophobicContact CB-CB 4.44Å; C193-H217 WeakPolarHBondContact CB-O 3.37Å; C193-H217 PolarHBondContact O-N 3.04Å; C193-R219 WeakPolarHBondContact CB-O 3.13Å; C193-R219 PolarHBondContact SG-O 2.75Å; C193-R219 VanDerWaalsContact SG-O 3.41Å
194T93.8Very high93.5Very high26 Ų2634 Ų3416%0.1618%0.177CC..EExtended strand (participates in β ladder)trans-116.1146-178.745.30000112.2S190 N192 F215 I216 I221S190-T194 VanDerWaalsContact CB-O 3.25Å; S190-T194 WeakPolarHBondContact CB-O 3.18Å; S190-T194 WeakPolarHBondContact CB-OG1 3.34Å; S190-T194 PolarHBondContact N-O 3.46Å; N192-T194 PolarHBondContact O-N 3.3Å; T194-F215 CarbonylContact C-O 3.54Å; T194-F215 VanDerWaalsContact CA-O 3.23Å; T194-F215 WeakPolarHBondContact CA-O 3.35Å; T194-I216 HydrophobicContact CG2-CG1 4.42Å; T194-I221 WeakPolarHBondContact O-CD1 3.26Å
195I95.2Very high93.2Very high0 Ų041.6 Ų41.60%021%0.212CC..EExtended strand (participates in β ladder)trans-111.6113.7168.8-53.7169.8000107L187 C188 N214 F215 I221 V224 F234 S236L187-I195 HydrophobicContact CB-CG2 4.48Å; L187-I195 HydrophobicContact CD2-CG2 3.84Å; C188-I195 WeakPolarHBondContact O-CA 3.41Å; I195-N214 CarbonylContact O-C 3.54Å; I195-N214 WeakPolarHBondContact O-CA 3.45Å; I195-F215 HydrophobicContact CB-CB 4.16Å; I195-F215 HydrophobicContact CB-CD2 4.48Å; I195-F215 HydrophobicContact CD1-CB 4.45Å; I195-F215 PolarHBondContact N-O 3.4Å; I195-F215 PolarHBondContact O-N 2.85Å; I195-I221 HydrophobicContact CD1-CD1 4.39Å; I195-I221 HydrophobicContact CG1-CD1 3.52Å; I195-I221 HydrophobicContact CG1-CG1 4.34Å; I195-I221 HydrophobicContact CG1-CG2 4.46Å; I195-V224 HydrophobicContact CB-CG1 4.5Å; I195-V224 HydrophobicContact CD1-CG1 3.82Å; I195-V224 HydrophobicContact CG1-CG1 3.88Å; I195-V224 HydrophobicContact CG2-CG1 3.86Å; I195-F234 HydrophobicContact CD1-CE2 3.96Å; I195-F234 HydrophobicContact CG2-CE2 4.33Å; I195-S236 VanDerWaalsContact CD1-CB 3.5Å
196G94.4Very high92.8Very high4 Ų447.4 Ų47.44%0.04125%0.246CC..EExtended strand (participates in β ladder)trans-81.4136172.500000110.6L187 C188 W198L187-G196 WeakPolarHBondContact CA-O 3.22Å; C188-G196 PolarHBondContact N-O 2.7Å; C188-G196 PolarHBondContact O-N 3.02Å; G196-W198 WeakPolarHBondContact O-CZ3 3.48Å
197L95.5Very high92.4Very high10 Ų1048.6 Ų48.65%0.05226%0.258CS..EExtended strand (participates in β ladder)trans-114.5120.5168.3170.659.8000109F185 L186 L187 A211 N212 V213 F215 W226 T248F185-L197 HydrophobicContact CD2-CD1 4.35Å; L186-L197 WeakPolarHBondContact O-CA 3.49Å; L187-L197 HydrophobicContact CD2-CB 4Å; L187-L197 HydrophobicContact CD2-CD1 3.96Å; L187-L197 HydrophobicContact CG-CD1 4.47Å; L197-A211 CarbonylContact O-C 3.48Å; L197-N212 WeakPolarHBondContact O-CB 3Å; L197-N212 PolarHBondContact O-N 3.03Å; L197-V213 HydrophobicContact CB-CB 4.27Å; L197-V213 HydrophobicContact CD2-CB 4.41Å; L197-V213 PolarHBondContact N-O 3.1Å; L197-V213 PolarHBondContact O-N 3.21Å; L197-F215 HydrophobicContact CB-CE2 4.17Å; L197-F215 HydrophobicContact CD2-CE2 4.24Å; L197-W226 HydrophobicContact CD1-CH2 3.99Å; L197-W226 HydrophobicContact CD1-CZ2 3.51Å; L197-T248 HydrophobicContact CD2-CG2 4.07Å
198W95.1Very high92.1Very high3 Ų350.2 Ų50.21%0.01127%0.268CS..EExtended strand (participates in β ladder)trans-112.2147173.8-62.5-97.9000110.7L166 R167 F185 L186 C188 G196 L209 A211L166-W198 HydrophobicContact CB-CD2 4.16Å; L166-W198 HydrophobicContact CB-CG 4.15Å; L166-W198 HydrophobicContact CB-CZ2 4.4Å; L166-W198 HydrophobicContact CD1-CB 4.44Å; L166-W198 HydrophobicContact CD1-CD2 4.46Å; L166-W198 HydrophobicContact CD1-CG 4.26Å; L166-W198 HydrophobicContact CD2-CG 4.41Å; R167-W198 PolarHBondContact O-NE1 3.43Å; R167-W198 VanDerWaalsContact O-NE1 3.14Å; F185-W198 WeakPolarHBondContact CA-O 3.21Å; L186-W198 PolarHBondContact N-O 2.8Å; L186-W198 PolarHBondContact O-N 2.88Å; C188-W198 HydrophobicContact CB-CE3 4.46Å; C188-W198 HydrophobicContact CB-CH2 3.7Å; C188-W198 HydrophobicContact CB-CZ3 3.34Å; G196-W198 WeakPolarHBondContact O-CZ3 3.48Å; W198-L209 PolarHBondContact NE1-O 2.91Å; W198-A211 HydrophobicContact CD2-CB 4.24Å; W198-A211 HydrophobicContact CZ2-CB 3.92Å; W198-A211 VanDerWaalsContact NE1-CA 3.32Å; W198-A211 VanDerWaalsContact NE1-N 3.13Å
199D94.6Very high92Very high25 Ų2550.7 Ų50.713%0.13427%0.27CS..EExtended strand (participates in β ladder)trans-112.9101.6161.51733.2000106.9F185 N201 R202 L209 N212F185-D199 HydrophobicContact CD1-CB 3.97Å; F185-D199 HydrophobicContact CE1-CB 3.73Å; D199-N201 PolarHBondContact O-N 3.3Å; D199-N201 WeakPolarHBondContact OD1-CB 3.2Å; D199-N201 PolarHBondContact OD1-N 3.02Å; D199-N201 VanDerWaalsContact OD1-N 3.12Å; D199-N201 PolarHBondContact OD1-ND2 3.22Å; D199-R202 HydrophobicContact CB-CG 3.98Å; D199-R202 WeakPolarHBondContact O-CB 3.38Å; D199-R202 PolarHBondContact O-N 3.14Å; D199-R202 IonicContact OD2-NE 3.86Å; D199-L209 WeakPolarHBondContact O-CD2 3.38Å; D199-N212 WeakPolarHBondContact CB-ND2 3.45Å; D199-N212 PolarHBondContact N-ND2 3.36Å; D199-N212 PolarHBondContact N-OD1 2.81Å
200I93Very high91.9Very high25 Ų2556.3 Ų56.313%0.12830%0.298CS..THydrogen-bonded Turntrans-64.8-10-173.869.9174.8000113.6M130 K136 F147 L166 W178 G184 R202M130-I200 HydrophobicContact SD-CD1 3.76Å; K136-I200 HydrophobicContact CD-CD1 4.3Å; F147-I200 HydrophobicContact CD2-CD1 4.49Å; F147-I200 HydrophobicContact CE2-CD1 3.59Å; F147-I200 HydrophobicContact CZ-CD1 3.65Å; L166-I200 HydrophobicContact CD1-CG2 4.33Å; L166-I200 HydrophobicContact CD2-CG2 4.36Å; W178-I200 HydrophobicContact CH2-CD1 3.83Å; W178-I200 HydrophobicContact CH2-CG2 3.91Å; W178-I200 HydrophobicContact CZ3-CD1 3.99Å; W178-I200 HydrophobicContact CZ3-CG2 4.12Å; G184-I200 PolarHBondContact O-N 3.04Å; I200-R202 VanDerWaalsContact C-N 3.29Å
201N91.8Very high92Very high91 Ų9157 Ų5749%0.48730%0.304SS..THydrogen-bonded Turntrans-86.3-5.1177.9-55.2-56.9000112.2E183 D199E183-N201 PolarHBondContact O-ND2 3.39Å; E183-N201 VanDerWaalsContact O-ND2 3.15Å; D199-N201 PolarHBondContact O-N 3.3Å; D199-N201 WeakPolarHBondContact OD1-CB 3.2Å; D199-N201 PolarHBondContact OD1-N 3.02Å; D199-N201 VanDerWaalsContact OD1-N 3.12Å; D199-N201 PolarHBondContact OD1-ND2 3.22Å
202R92.6Very high92Very high129 Ų12957.1 Ų57.149%0.48731%0.306SS..SBendtrans-73.7151.2173.7-71.2-173177.5-158.7-0.2111.3D199 I200 E204 L209 N212D199-R202 HydrophobicContact CB-CG 3.98Å; D199-R202 WeakPolarHBondContact O-CB 3.38Å; D199-R202 PolarHBondContact O-N 3.14Å; D199-R202 IonicContact OD2-NE 3.86Å; I200-R202 VanDerWaalsContact C-N 3.29Å; R202-E204 PolarHBondContact O-N 2.62Å; R202-L209 HydrophobicContact CB-CD1 4.03Å; R202-N212 WeakPolarHBondContact CD-ND2 3.45Å; R202-N212 PolarHBondContact NE-ND2 3.25Å; R202-N212 PolarHBondContact NH1-ND2 3.25Å
203P90.8Very high92Very high122 Ų12255.1 Ų55.179%0.79230%0.296SS*.PPolyproline II helixtrans-61.8130.5175.527-34.4000110
204E90.3Very high91.8Very high80 Ų8056.3 Ų56.337%0.37430%0.3SS..PPolyproline II helixtrans-88.7160.1170.359.1173.2-164.900111.3V164 R202 G207 V208 L209V164-E204 WeakPolarHBondContact CB-OE2 3.44Å; V164-E204 WeakPolarHBondContact CG1-OE2 3.38Å; V164-E204 WeakPolarHBondContact CG2-OE2 3.49Å; R202-E204 PolarHBondContact O-N 2.62Å; E204-G207 WeakPolarHBondContact OE2-CA 3.36Å; E204-V208 WeakPolarHBondContact CB-O 3.48Å; E204-L209 HydrophobicContact CB-CB 4.28Å
205E89.9Confident91.8Very high159 Ų15955.2 Ų55.274%0.74329%0.293SS*.BIsolated β-bridgetrans-117.3116.9172.8-68.3-176-176.900108.8G207 V208E205-G207 PolarHBondContact O-N 3.25Å; E205-V208 PolarHBondContact N-O 3.1Å; E205-V208 PolarHBondContact O-N 3.01Å; E205-V208 VanDerWaalsContact O-N 3.13Å
206N88.3Confident91.6Very high169 Ų16959 Ų5990%0.90431%0.313SS*.THydrogen-bonded Turntrans55.342.3179.1-55.5-47.9000114.3V208N206-V208 PolarHBondContact O-N 3.41Å
207G88.1Confident91.5Very high25 Ų2559.1 Ų59.126%0.25831%0.312SS..THydrogen-bonded Turntrans7412.8-18000000114.2K165 E204 E205K165-G207 PolarHBondContact N-O 2.83Å; E204-G207 WeakPolarHBondContact OE2-CA 3.36Å; E205-G207 PolarHBondContact O-N 3.25Å
208V91.5Very high91.3Very high34 Ų3465.7 Ų65.721%0.20635%0.347CS..EExtended strand (participates in β ladder)trans-122.2129.4179.3-179.80000109.8K165 R167 E204 E205 N206 M210K165-V208 HydrophobicContact CB-CG2 4.41Å; K165-V208 CarbonylContact O-C 3.57Å; K165-V208 VanDerWaalsContact O-CA 3.29Å; K165-V208 WeakPolarHBondContact O-CA 3.36Å; R167-V208 HydrophobicContact CB-CG1 4.06Å; R167-V208 HydrophobicContact CG-CG1 3.99Å; E204-V208 WeakPolarHBondContact CB-O 3.48Å; E205-V208 PolarHBondContact N-O 3.1Å; E205-V208 PolarHBondContact O-N 3.01Å; E205-V208 VanDerWaalsContact O-N 3.13Å; N206-V208 PolarHBondContact O-N 3.41Å; V208-M210 HydrophobicContact CG1-SD 4.27Å
209L93.5Very high91.2Very high10 Ų1072.9 Ų72.95%0.05237%0.374CS..EExtended strand (participates in β ladder)trans-114.4119.8172.2-177.666.4000110.3V164 K165 L166 R167 W198 D199 R202 E204V164-L209 HydrophobicContact CG1-CB 3.86Å; K165-L209 PolarHBondContact O-N 3.34Å; L166-L209 WeakPolarHBondContact CA-O 3.48Å; L166-L209 HydrophobicContact CD2-CB 3.83Å; L166-L209 HydrophobicContact CD2-CD2 3.88Å; L166-L209 HydrophobicContact CD2-CG 4.31Å; R167-L209 PolarHBondContact N-O 2.89Å; W198-L209 PolarHBondContact NE1-O 2.91Å; D199-L209 WeakPolarHBondContact O-CD2 3.38Å; R202-L209 HydrophobicContact CB-CD1 4.03Å; E204-L209 HydrophobicContact CB-CB 4.28Å
210M92.2Very high91.2Very high118 Ų11874.5 Ų74.558%0.58138%0.38SS*.EExtended strand (participates in β ladder)trans-77.9147.4177.3-63.8-58.1-63.500111.4R167 V208 N212R167-M210 HydrophobicContact CB-CE 4.36Å; R167-M210 HydrophobicContact CB-SD 3.71Å; R167-M210 CarbonylContact O-C 3.49Å; R167-M210 VanDerWaalsContact O-CA 3.3Å; R167-M210 WeakPolarHBondContact O-CA 3.02Å; V208-M210 HydrophobicContact CG1-SD 4.27Å; M210-N212 PolarHBondContact O-N 2.88Å
211A91.3Very high91.2Very high19 Ų1973.3 Ų73.316%0.15737%0.374CS..  trans-57.2130174.700000110.2R167 L197 W198 V213R167-A211 PolarHBondContact O-N 3.02Å; L197-A211 CarbonylContact O-C 3.48Å; W198-A211 HydrophobicContact CD2-CB 4.24Å; W198-A211 HydrophobicContact CZ2-CB 3.92Å; W198-A211 VanDerWaalsContact NE1-CA 3.32Å; W198-A211 VanDerWaalsContact NE1-N 3.13Å; A211-V213 VanDerWaalsContact C-N 3.25Å; A211-V213 PolarHBondContact O-N 2.77Å
212N88Confident91.4Very high43 Ų4370.3 Ų70.323%0.2336%0.358CS..SBendtrans-62.9-39.4177.4-60.117.8000110.8L197 D199 R202 M210L197-N212 WeakPolarHBondContact O-CB 3Å; L197-N212 PolarHBondContact O-N 3.03Å; D199-N212 WeakPolarHBondContact CB-ND2 3.45Å; D199-N212 PolarHBondContact N-ND2 3.36Å; D199-N212 PolarHBondContact N-OD1 2.81Å; R202-N212 WeakPolarHBondContact CD-ND2 3.45Å; R202-N212 PolarHBondContact NE-ND2 3.25Å; R202-N212 PolarHBondContact NH1-ND2 3.25Å; M210-N212 PolarHBondContact O-N 2.88Å
213V88.3Confident91.5Very high31 Ų3164.7 Ų64.719%0.18834%0.339CS..EExtended strand (participates in β ladder)trans-147.5136.5-173.7-179.30000109L197 A211 F215L197-V213 HydrophobicContact CB-CB 4.27Å; L197-V213 HydrophobicContact CD2-CB 4.41Å; L197-V213 PolarHBondContact N-O 3.1Å; L197-V213 PolarHBondContact O-N 3.21Å; A211-V213 VanDerWaalsContact C-N 3.25Å; A211-V213 PolarHBondContact O-N 2.77Å; V213-F215 HydrophobicContact CB-CE2 4.16Å; V213-F215 HydrophobicContact CB-CZ 4.48Å; V213-F215 HydrophobicContact CG1-CD2 4.06Å; V213-F215 HydrophobicContact CG1-CE1 4.22Å; V213-F215 HydrophobicContact CG1-CE2 3.61Å; V213-F215 HydrophobicContact CG1-CZ 3.7Å
214N90Very high91.9Very high60 Ų6059.1 Ų59.132%0.32130%0.303SS..EExtended strand (participates in β ladder)trans-110.5121.3168-70.8-35.4000109.7I195 R253I195-N214 CarbonylContact O-C 3.54Å; I195-N214 WeakPolarHBondContact O-CA 3.45Å; N214-R253 WeakPolarHBondContact O-CB 3.09Å; N214-R253 WeakPolarHBondContact O-CD 3.1Å
215F93Very high92.2Very high2 Ų256.4 Ų56.41%0.00929%0.293CS..EExtended strand (participates in β ladder)trans-94.1157.3167.4-52.7-96.9000109.5T194 I195 L197 V213 F234 W246 T248 R253T194-F215 CarbonylContact C-O 3.54Å; T194-F215 VanDerWaalsContact CA-O 3.23Å; T194-F215 WeakPolarHBondContact CA-O 3.35Å; I195-F215 HydrophobicContact CB-CB 4.16Å; I195-F215 HydrophobicContact CB-CD2 4.48Å; I195-F215 HydrophobicContact CD1-CB 4.45Å; I195-F215 PolarHBondContact N-O 3.4Å; I195-F215 PolarHBondContact O-N 2.85Å; L197-F215 HydrophobicContact CB-CE2 4.17Å; L197-F215 HydrophobicContact CD2-CE2 4.24Å; V213-F215 HydrophobicContact CB-CE2 4.16Å; V213-F215 HydrophobicContact CB-CZ 4.48Å; V213-F215 HydrophobicContact CG1-CD2 4.06Å; V213-F215 HydrophobicContact CG1-CE1 4.22Å; V213-F215 HydrophobicContact CG1-CE2 3.61Å; V213-F215 HydrophobicContact CG1-CZ 3.7Å; F215-F234 HydrophobicContact CD1-CZ 4.02Å; F215-F234 HydrophobicContact CD2-CE1 4.24Å; F215-F234 HydrophobicContact CD2-CE2 4.49Å; F215-F234 AromaticContact CD2-CZ 3.55Å; F215-F234 HydrophobicContact CD2-CZ 3.55Å; F215-F234 HydrophobicContact CE1-CE1 4.15Å; F215-F234 HydrophobicContact CE1-CZ 4.04Å; F215-F234 AromaticContact CE2-CE1 3.77Å; F215-F234 HydrophobicContact CE2-CE1 3.77Å; F215-F234 AromaticContact CE2-CZ 3.58Å; F215-F234 HydrophobicContact CE2-CZ 3.58Å; F215-F234 AromaticContact CG-CZ 3.78Å; F215-F234 HydrophobicContact CG-CZ 3.78Å; F215-F234 AromaticContact CZ-CE1 3.72Å; F215-F234 HydrophobicContact CZ-CE1 3.72Å; F215-F234 AromaticContact CZ-CZ 3.83Å; F215-F234 HydrophobicContact CZ-CZ 3.83Å; F215-W246 HydrophobicContact CB-CD2 4.43Å; F215-W246 HydrophobicContact CB-CE3 4.34Å; F215-W246 HydrophobicContact CB-CZ3 4.38Å; F215-W246 HydrophobicContact CD1-CD2 4.15Å; F215-W246 AromaticContact CD1-CE3 3.69Å; F215-W246 HydrophobicContact CD1-CE3 3.69Å; F215-W246 HydrophobicContact CD1-CZ3 4.23Å; F215-W246 HydrophobicContact CE1-CE3 4.48Å; F215-W246 HydrophobicContact CG-CE3 4.4Å; F215-T248 HydrophobicContact CZ-CG2 4.25Å; F215-R253 CarbonylContact C-O 3.58Å; F215-R253 WeakPolarHBondContact CA-O 3.46Å
216I92.3Very high92.6Very high80 Ų8049.1 Ų49.141%0.4126%0.258SS..EExtended strand (participates in β ladder)trans-129.8133.4-167.1-56.5175.3000110.5C193 T194 W246 R253C193-I216 CarbonylContact O-C 3.57Å; C193-I216 WeakPolarHBondContact O-CA 3.43Å; T194-I216 HydrophobicContact CG2-CG1 4.42Å; I216-W246 VanDerWaalsContact O-CH2 3.26Å; I216-W246 WeakPolarHBondContact O-CH2 3.31Å; I216-R253 PolarHBondContact N-O 3.29Å
217H90.8Very high93.1Very high7 Ų741.4 Ų41.43%0.03222%0.217CC..  trans-103.1166.1167.2-83.2-135000110.8C193 R219 I221 S236 W246C193-H217 HydrophobicContact CB-CB 4.44Å; C193-H217 WeakPolarHBondContact CB-O 3.37Å; C193-H217 PolarHBondContact O-N 3.04Å; H217-R219 VanDerWaalsContact CB-O 3.26Å; H217-R219 WeakPolarHBondContact CB-O 3.33Å; H217-I221 HydrophobicContact CB-CD1 4.15Å; H217-I221 HydrophobicContact CB-CG1 3.74Å; H217-S236 PolarHBondContact CE1-OG 3.16Å; H217-S236 VanDerWaalsContact CE1-OG 3.28Å; H217-S236 WeakPolarHBondContact NE2-CB 3.27Å; H217-S236 PolarHBondContact NE2-OG 2.86Å; H217-W246 AromaticContact CD2-CZ2 3.91Å; H217-W246 AromaticContact NE2-NE1 4Å
218D91.5Very high93.5Very high147 Ų14741.2 Ų41.279%0.78621%0.212SC*.SBendtrans-79.6-19.6172.2-70.1-23.7000112.6
219R93.7Very high93.7Very high154 Ų15443.5 Ų43.558%0.58122%0.222SC*.SBendtrans-140.4178.5179.9-62.5-172.4179.7-86.2-0.4111.8C193 H217 I221 D239 D240C193-R219 WeakPolarHBondContact CB-O 3.13Å; C193-R219 PolarHBondContact SG-O 2.75Å; C193-R219 VanDerWaalsContact SG-O 3.41Å; H217-R219 VanDerWaalsContact CB-O 3.26Å; H217-R219 WeakPolarHBondContact CB-O 3.33Å; R219-I221 PolarHBondContact O-N 3.12Å; R219-D239 HydrophobicContact CB-CB 4Å; R219-D239 VanDerWaalsContact CD-O 3.23Å; R219-D239 WeakPolarHBondContact CD-O 3.49Å; R219-D240 HydrophobicContact CB-CB 4.04Å; R219-D240 HydrophobicContact CG-CB 4.06Å
220K93.6Very high93.9Very high59 Ų5946.1 Ų46.126%0.25723%0.234SC..  trans-51.7133.6176173.4170.7173.6171.40110.6E191 G238 D239E191-K220 HydrophobicContact CB-CD 4.49Å; E191-K220 HydrophobicContact CG-CD 4.33Å; E191-K220 IonicContact OE1-NZ 2.71Å; E191-K220 PolarHBondContact OE1-NZ 2.95Å; K220-G238 CarbonylContact O-C 3.59Å; K220-G238 WeakPolarHBondContact O-CA 3.29Å; K220-D239 HydrophobicContact CB-CB 4.41Å; K220-D239 PolarHBondContact O-N 2.96Å
221I95Very high94.2Very high1 Ų146.1 Ų46.11%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-91.4130.8177.1-59.2142.6000108.6A189 T194 I195 H217 R219 V224A189-I221 HydrophobicContact CB-CB 3.98Å; A189-I221 HydrophobicContact CB-CG2 3.54Å; T194-I221 WeakPolarHBondContact O-CD1 3.26Å; I195-I221 HydrophobicContact CD1-CD1 4.39Å; I195-I221 HydrophobicContact CG1-CD1 3.52Å; I195-I221 HydrophobicContact CG1-CG1 4.34Å; I195-I221 HydrophobicContact CG1-CG2 4.46Å; H217-I221 HydrophobicContact CB-CD1 4.15Å; H217-I221 HydrophobicContact CB-CG1 3.74Å; R219-I221 PolarHBondContact O-N 3.12Å; I221-V224 HydrophobicContact CG2-CG1 3.95Å
222N94.7Very high94.4Very high28 Ų2846.1 Ų46.115%0.1523%0.231CC..EExtended strand (participates in β ladder)trans-97.6-40.6-180-66.7-42.2000111.8S175 V237 D239 T267 L268S175-N222 WeakPolarHBondContact CB-O 3.31Å; N222-V237 PolarHBondContact N-O 2.97Å; N222-D239 PolarHBondContact ND2-OD1 3.3Å; N222-D239 PolarHBondContact OD1-OD1 3.1Å; N222-T267 WeakPolarHBondContact CB-O 3.31Å; N222-T267 PolarHBondContact ND2-O 2.87Å; N222-L268 HydrophobicContact CB-CD2 4.48Å
223A96Very high94.9Very high10 Ų1045.8 Ų45.88%0.08323%0.229CC..EExtended strand (participates in β ladder)trans-144.9149178.200000114.2S175 S236 V237 L268 L270S175-A223 WeakPolarHBondContact OG-CA 3.14Å; A223-S236 CarbonylContact O-C 3.55Å; A223-S236 VanDerWaalsContact O-CA 3.25Å; A223-S236 WeakPolarHBondContact O-CA 3.49Å; A223-V237 HydrophobicContact CB-CG2 3.84Å; A223-V237 PolarHBondContact N-O 2.86Å; A223-V237 VanDerWaalsContact N-O 3.17Å; A223-V237 PolarHBondContact O-N 3.45Å; A223-L268 WeakPolarHBondContact CB-O 3.23Å; A223-L270 HydrophobicContact CB-CD2 3.51Å; A223-L270 WeakPolarHBondContact O-CD2 3.43Å
224V97.3Very high95.4Very high5 Ų544.3 Ų44.33%0.0322%0.22CC..EExtended strand (participates in β ladder)trans-130145.3172.9-68.20000109.3S175 L187 A189 I195 I221 G235S175-V224 PolarHBondContact OG-N 3.34Å; S175-V224 PolarHBondContact OG-O 3.24Å; L187-V224 HydrophobicContact CB-CB 4.43Å; L187-V224 HydrophobicContact CB-CG2 4.03Å; A189-V224 HydrophobicContact CB-CG1 4.05Å; A189-V224 HydrophobicContact CB-CG2 4.29Å; I195-V224 HydrophobicContact CB-CG1 4.5Å; I195-V224 HydrophobicContact CD1-CG1 3.82Å; I195-V224 HydrophobicContact CG1-CG1 3.88Å; I195-V224 HydrophobicContact CG2-CG1 3.86Å; I221-V224 HydrophobicContact CG2-CG1 3.95Å; V224-G235 WeakPolarHBondContact CA-O 3.43Å
225S97.9Very high95.7Very high23 Ų2341.5 Ų41.516%0.16120%0.204CC..EExtended strand (participates in β ladder)trans-151.7129.8178.2-169.80000110.9S177 F234 G235 F272S177-S225 WeakPolarHBondContact OG-CA 3.41Å; S225-F234 CarbonylContact O-C 3.56Å; S225-F234 WeakPolarHBondContact O-CA 3.36Å; S225-F234 VanDerWaalsContact O-CB 3.31Å; S225-F234 WeakPolarHBondContact O-CB 3.44Å; S225-G235 PolarHBondContact N-O 3.42Å; S225-G235 PolarHBondContact O-N 3.16Å; S225-F272 WeakPolarHBondContact O-CE2 3.28Å
226W98.4Very high95.9Very high6 Ų641.4 Ų41.42%0.02320%0.204CC..EExtended strand (participates in β ladder)trans-64.9147.2167.9-76.2103.2000111.3S177 F185 L187 L197 E231 F234 T248 F272S177-W226 PolarHBondContact O-NE1 3.22Å; S177-W226 VanDerWaalsContact O-NE1 3.13Å; S177-W226 PolarHBondContact OG-N 2.92Å; F185-W226 HydrophobicContact CB-CZ2 4.04Å; F185-W226 HydrophobicContact CD2-CH2 4.04Å; F185-W226 HydrophobicContact CD2-CZ2 4.14Å; L187-W226 HydrophobicContact CD1-CD2 3.65Å; L187-W226 HydrophobicContact CD1-CE3 4.33Å; L187-W226 HydrophobicContact CD1-CG 3.88Å; L187-W226 HydrophobicContact CD1-CH2 4.49Å; L187-W226 HydrophobicContact CD1-CZ2 3.87Å; L187-W226 HydrophobicContact CD2-CZ2 4.1Å; L187-W226 HydrophobicContact CG-CD2 4.3Å; L187-W226 HydrophobicContact CG-CZ2 3.69Å; L197-W226 HydrophobicContact CD1-CH2 3.99Å; L197-W226 HydrophobicContact CD1-CZ2 3.51Å; W226-E231 WeakPolarHBondContact CZ3-O 3.23Å; W226-F234 HydrophobicContact CD2-CB 4.22Å; W226-F234 HydrophobicContact CE3-CB 3.88Å; W226-F234 HydrophobicContact CE3-CD1 4.46Å; W226-F234 HydrophobicContact CH2-CD1 4.46Å; W226-F234 HydrophobicContact CZ3-CB 4.36Å; W226-F234 HydrophobicContact CZ3-CD1 4.1Å; W226-T248 HydrophobicContact CH2-CG2 3.87Å; W226-T248 HydrophobicContact CZ3-CG2 4.04Å; W226-F272 WeakPolarHBondContact O-CD2 3.41Å
227H98.2Very high96.2Very high7 Ų737.6 Ų37.63%0.03219%0.185CC..  trans-68.5135.4169.1-168.2-91.5000110.3L229 H230 L233 F272 E277H227-L229 VanDerWaalsContact C-N 3.3Å; H227-L229 PolarHBondContact ND1-N 3.42Å; H227-L229 VanDerWaalsContact ND1-N 3.12Å; H227-L229 PolarHBondContact O-N 2.97Å; H227-H230 HydrophobicContact CB-CB 4.23Å; H227-H230 AromaticContact CE1-CD2 3.26Å; H227-H230 PolarHBondContact CE1-CD2 3.3Å; H227-H230 AromaticContact ND1-CD2 3.33Å; H227-H230 PolarHBondContact ND1-CD2 3.35Å; H227-H230 VanDerWaalsContact ND1-CD2 3.33Å; H227-H230 AromaticContact ND1-CG 3.67Å; H227-H230 PolarHBondContact ND1-N 2.88Å; H227-H230 AromaticContact NE2-CD2 3.97Å; H227-L233 HydrophobicContact CB-CB 3.8Å; H227-L233 WeakPolarHBondContact CB-O 3.47Å; H227-L233 PolarHBondContact N-O 3.17Å; H227-F272 AromaticContact CD2-CD1 3.45Å; H227-F272 VanDerWaalsContact CD2-CD1 3.45Å; H227-F272 WeakPolarHBondContact CD2-CD1 3.42Å; H227-F272 AromaticContact CD2-CE1 3.66Å; H227-F272 AromaticContact CD2-CG 3.99Å; H227-E277 PolarHBondContact NE2-O 2.78Å
228C96.1Very high96.3Very high22 Ų2237.2 Ų37.215%0.14918%0.183CC..SBendtrans-69.9-25.6-174.4-58.10000113.8
229L97Very high96.5Very high81 Ų8132.1 Ų32.142%0.42416%0.156SC..SBendtrans-117.5-4.1-173.5-54.1174.6000114.6L181 H227 E277L181-L229 VanDerWaalsContact CD1-C 3.42Å; H227-L229 VanDerWaalsContact C-N 3.3Å; H227-L229 PolarHBondContact ND1-N 3.42Å; H227-L229 VanDerWaalsContact ND1-N 3.12Å; H227-L229 PolarHBondContact O-N 2.97Å; L229-E277 HydrophobicContact CD1-CB 4.07Å
230H97.8Very high96.5Very high66 Ų6625.7 Ų25.731%0.30613%0.133SC..  trans-130.6117.5-177.4-68.7-56.1000110.4L181 H227 T232 L233 E277L181-H230 VanDerWaalsContact CD1-N 3.34Å; H227-H230 HydrophobicContact CB-CB 4.23Å; H227-H230 AromaticContact CE1-CD2 3.26Å; H227-H230 PolarHBondContact CE1-CD2 3.3Å; H227-H230 AromaticContact ND1-CD2 3.33Å; H227-H230 PolarHBondContact ND1-CD2 3.35Å; H227-H230 VanDerWaalsContact ND1-CD2 3.33Å; H227-H230 AromaticContact ND1-CG 3.67Å; H227-H230 PolarHBondContact ND1-N 2.88Å; H227-H230 AromaticContact NE2-CD2 3.97Å; H230-T232 PolarHBondContact O-N 3Å; H230-T232 VanDerWaalsContact O-N 3.17Å; H230-L233 HydrophobicContact CB-CB 3.98Å; H230-L233 HydrophobicContact CB-CD1 3.96Å; H230-L233 HydrophobicContact CB-CG 3.94Å; H230-L233 PolarHBondContact O-N 3.46Å; H230-E277 IonicContact CE1-OE2 3.78Å; H230-E277 IonicContact NE2-OE2 3.9Å; H230-E277 PolarHBondContact NE2-OE2 2.88Å
231E97.1Very high96.5Very high118 Ų11824.7 Ų24.755%0.55113%0.13SC*.THydrogen-bonded Turntrans-65.9-19.4-173.866.7179.7-167.100114.4L181 V182 W226L181-E231 HydrophobicContact CB-CB 4.15Å; L181-E231 HydrophobicContact CD1-CB 4.33Å; V182-E231 HydrophobicContact CG2-CB 3.68Å; W226-E231 WeakPolarHBondContact CZ3-O 3.23Å
232T96.5Very high96.4Very high19 Ų1926.5 Ų26.512%0.11714%0.14CC..THydrogen-bonded Turntrans-107.2-10.8-176.273.70000113.9H230 D247 T248 R249H230-T232 PolarHBondContact O-N 3Å; H230-T232 VanDerWaalsContact O-N 3.17Å; T232-D247 WeakPolarHBondContact CB-OD1 3.09Å; T232-D247 CarbonylContact O-C 3.48Å; T232-D247 WeakPolarHBondContact O-CA 3.28Å; T232-D247 PolarHBondContact OG1-OD1 3.46Å; T232-T248 WeakPolarHBondContact CA-OG1 3.37Å; T232-T248 VanDerWaalsContact CB-OG1 3.32Å; T232-T248 WeakPolarHBondContact CB-OG1 3.32Å; T232-T248 PolarHBondContact O-N 3.1Å; T232-T248 PolarHBondContact O-OG1 3.25Å; T232-R249 HydrophobicContact CG2-CG 3.73Å; T232-R249 PolarHBondContact OG1-NE 3.34Å
233L97.6Very high96.5Very high36 Ų3626 Ų2619%0.18814%0.137CC..EExtended strand (participates in β ladder)trans-98.8139.9-175.9-62.6-176.3000111.4H227 H230 W246 D247H227-L233 HydrophobicContact CB-CB 3.8Å; H227-L233 WeakPolarHBondContact CB-O 3.47Å; H227-L233 PolarHBondContact N-O 3.17Å; H230-L233 HydrophobicContact CB-CB 3.98Å; H230-L233 HydrophobicContact CB-CD1 3.96Å; H230-L233 HydrophobicContact CB-CG 3.94Å; H230-L233 PolarHBondContact O-N 3.46Å; L233-W246 WeakPolarHBondContact CA-O 3.41Å; L233-W246 WeakPolarHBondContact CD2-O 3.46Å; L233-D247 HydrophobicContact CD2-CB 3.46Å; L233-D247 VanDerWaalsContact CD2-CB 3.46Å
234F98.2Very high96.6Very high0 Ų026 Ų260%014%0.136CC..EExtended strand (participates in β ladder)trans-147156.4168.868.7-89.2000110.5L187 I195 F215 S225 W226 I245 W246 T248L187-F234 HydrophobicContact CD1-CB 3.54Å; L187-F234 HydrophobicContact CD1-CD1 4.11Å; L187-F234 HydrophobicContact CD1-CD2 3.65Å; L187-F234 HydrophobicContact CD1-CE2 4.35Å; L187-F234 HydrophobicContact CD1-CG 3.51Å; L187-F234 HydrophobicContact CD2-CD2 4.42Å; L187-F234 HydrophobicContact CD2-CE1 4.42Å; L187-F234 HydrophobicContact CD2-CE2 4.33Å; L187-F234 HydrophobicContact CD2-CZ 4.33Å; I195-F234 HydrophobicContact CD1-CE2 3.96Å; I195-F234 HydrophobicContact CG2-CE2 4.33Å; F215-F234 HydrophobicContact CD1-CZ 4.02Å; F215-F234 HydrophobicContact CD2-CE1 4.24Å; F215-F234 HydrophobicContact CD2-CE2 4.49Å; F215-F234 AromaticContact CD2-CZ 3.55Å; F215-F234 HydrophobicContact CD2-CZ 3.55Å; F215-F234 HydrophobicContact CE1-CE1 4.15Å; F215-F234 HydrophobicContact CE1-CZ 4.04Å; F215-F234 AromaticContact CE2-CE1 3.77Å; F215-F234 HydrophobicContact CE2-CE1 3.77Å; F215-F234 AromaticContact CE2-CZ 3.58Å; F215-F234 HydrophobicContact CE2-CZ 3.58Å; F215-F234 AromaticContact CG-CZ 3.78Å; F215-F234 HydrophobicContact CG-CZ 3.78Å; F215-F234 AromaticContact CZ-CE1 3.72Å; F215-F234 HydrophobicContact CZ-CE1 3.72Å; F215-F234 AromaticContact CZ-CZ 3.83Å; F215-F234 HydrophobicContact CZ-CZ 3.83Å; S225-F234 CarbonylContact O-C 3.56Å; S225-F234 WeakPolarHBondContact O-CA 3.36Å; S225-F234 VanDerWaalsContact O-CB 3.31Å; S225-F234 WeakPolarHBondContact O-CB 3.44Å; W226-F234 HydrophobicContact CD2-CB 4.22Å; W226-F234 HydrophobicContact CE3-CB 3.88Å; W226-F234 HydrophobicContact CE3-CD1 4.46Å; W226-F234 HydrophobicContact CH2-CD1 4.46Å; W226-F234 HydrophobicContact CZ3-CB 4.36Å; W226-F234 HydrophobicContact CZ3-CD1 4.1Å; F234-I245 WeakPolarHBondContact O-CA 3.42Å; F234-W246 HydrophobicContact CD1-CB 3.85Å; F234-W246 HydrophobicContact CD2-CB 4.07Å; F234-W246 AromaticContact CD2-CD1 3.7Å; F234-W246 HydrophobicContact CD2-CG 4.17Å; F234-W246 HydrophobicContact CE1-CB 3.35Å; F234-W246 HydrophobicContact CE1-CG 4.11Å; F234-W246 HydrophobicContact CE2-CB 3.6Å; F234-W246 AromaticContact CE2-CD1 3.18Å; F234-W246 HydrophobicContact CE2-CD2 4.43Å; F234-W246 AromaticContact CE2-CG 3.47Å; F234-W246 HydrophobicContact CE2-CG 3.47Å; F234-W246 VanDerWaalsContact CE2-CG 3.47Å; F234-W246 AromaticContact CE2-NE1 3.98Å; F234-W246 HydrophobicContact CG-CB 4.18Å; F234-W246 HydrophobicContact CZ-CB 3.21Å; F234-W246 AromaticContact CZ-CD1 3.68Å; F234-W246 HydrophobicContact CZ-CD2 4.28Å; F234-W246 AromaticContact CZ-CG 3.43Å; F234-W246 HydrophobicContact CZ-CG 3.43Å; F234-W246 VanDerWaalsContact CZ-CG 3.43Å; F234-W246 PolarHBondContact N-O 3.07Å; F234-W246 VanDerWaalsContact N-O 3.13Å; F234-W246 PolarHBondContact O-N 3.33Å; F234-T248 HydrophobicContact CD1-CG2 4.11Å; F234-T248 HydrophobicContact CE1-CG2 3.91Å
235G97.8Very high96.6Very high0 Ų026.9 Ų26.90%014%0.14CC..EExtended strand (participates in β ladder)trans-108.8157.3176.200000111.3V224 S225 L244V224-G235 WeakPolarHBondContact CA-O 3.43Å; S225-G235 PolarHBondContact N-O 3.42Å; S225-G235 PolarHBondContact O-N 3.16Å; G235-L244 CarbonylContact C-O 3.53Å; G235-L244 WeakPolarHBondContact CA-O 3.45Å
236S97.5Very high96.6Very high0 Ų026 Ų260%013%0.133CC..EExtended strand (participates in β ladder)trans-150.1149.5173.159.40000110.8I195 H217 A223 L244 W246I195-S236 VanDerWaalsContact CD1-CB 3.5Å; H217-S236 PolarHBondContact CE1-OG 3.16Å; H217-S236 VanDerWaalsContact CE1-OG 3.28Å; H217-S236 WeakPolarHBondContact NE2-CB 3.27Å; H217-S236 PolarHBondContact NE2-OG 2.86Å; A223-S236 CarbonylContact O-C 3.55Å; A223-S236 VanDerWaalsContact O-CA 3.25Å; A223-S236 WeakPolarHBondContact O-CA 3.49Å; S236-L244 PolarHBondContact N-O 2.82Å; S236-L244 PolarHBondContact O-N 2.92Å; S236-L244 PolarHBondContact OG-O 2.77Å; S236-W246 PolarHBondContact OG-NE1 2.88Å
237V96.8Very high96.5Very high0 Ų026.3 Ų26.30%014%0.135CC..EExtended strand (participates in β ladder)trans-137.2151178.3-60.30000110.4N222 A223 N242 L243 T267 L270 T282N222-V237 PolarHBondContact N-O 2.97Å; A223-V237 HydrophobicContact CB-CG2 3.84Å; A223-V237 PolarHBondContact N-O 2.86Å; A223-V237 VanDerWaalsContact N-O 3.17Å; A223-V237 PolarHBondContact O-N 3.45Å; V237-N242 WeakPolarHBondContact CA-O 3.49Å; V237-L243 HydrophobicContact CG1-CB 4.33Å; V237-L243 HydrophobicContact CG1-CD1 3.78Å; V237-T267 HydrophobicContact CB-CG2 3.55Å; V237-T267 HydrophobicContact CG1-CG2 3.66Å; V237-T267 HydrophobicContact CG2-CG2 3.85Å; V237-L270 HydrophobicContact CG1-CB 3.99Å; V237-L270 HydrophobicContact CG1-CD1 4.45Å; V237-L270 HydrophobicContact CG1-CD2 4.38Å; V237-L270 HydrophobicContact CG1-CG 4.5Å; V237-L270 HydrophobicContact CG2-CB 4.49Å; V237-L270 HydrophobicContact CG2-CD2 3.96Å; V237-T282 HydrophobicContact CG1-CG2 4.12Å
238G94.7Very high96.3Very high0 Ų027.7 Ų27.70%014%0.144CC..EExtended strand (participates in β ladder)trans-153.5-167.8-176.700000115K220 D240 N241 T267K220-G238 CarbonylContact O-C 3.59Å; K220-G238 WeakPolarHBondContact O-CA 3.29Å; G238-D240 PolarHBondContact O-N 3.06Å; G238-N241 PolarHBondContact O-N 3.45Å; G238-T267 PolarHBondContact O-N 2.96Å
239D94.8Very high96.2Very high40 Ų4034.8 Ų34.821%0.21417%0.168CC..THydrogen-bonded Turntrans-72.4-3.9177.1-79.78000113R219 K220 N222 N241 R266R219-D239 HydrophobicContact CB-CB 4Å; R219-D239 VanDerWaalsContact CD-O 3.23Å; R219-D239 WeakPolarHBondContact CD-O 3.49Å; K220-D239 HydrophobicContact CB-CB 4.41Å; K220-D239 PolarHBondContact O-N 2.96Å; N222-D239 PolarHBondContact ND2-OD1 3.3Å; N222-D239 PolarHBondContact OD1-OD1 3.1Å; D239-N241 PolarHBondContact O-OD1 2.98Å; D239-R266 HydrophobicContact CB-CG 4.25Å; D239-R266 WeakPolarHBondContact OD1-CD 3.22Å
240D93Very high95.8Very high19 Ų1936.2 Ų36.210%0.10217%0.171CC..THydrogen-bonded Turntrans-83.91.2169.770.5-19.1000113R219 G238 N242R219-D240 HydrophobicContact CB-CB 4.04Å; R219-D240 HydrophobicContact CG-CB 4.06Å; G238-D240 PolarHBondContact O-N 3.06Å; D240-N242 PolarHBondContact O-N 2.94Å; D240-N242 VanDerWaalsContact O-N 3.17Å; D240-N242 PolarHBondContact O-ND2 3.38Å; D240-N242 PolarHBondContact OD1-N 2.97Å; D240-N242 PolarHBondContact OD2-ND2 2.81Å
241N94Very high95Very high37 Ų3739.9 Ų39.920%0.19819%0.193CC..  trans66.28.2177.7-48.2-14.3000114.1G238 D239 L261 A262 H263 G264 E265 R266G238-N241 PolarHBondContact O-N 3.45Å; D239-N241 PolarHBondContact O-OD1 2.98Å; N241-L261 HydrophobicContact CB-CD1 3.82Å; N241-A262 PolarHBondContact O-N 3Å; N241-H263 WeakPolarHBondContact CB-O 3.35Å; N241-H263 PolarHBondContact O-N 2.96Å; N241-G264 PolarHBondContact ND2-O 3.17Å; N241-E265 WeakPolarHBondContact CB-O 3.37Å; N241-E265 VanDerWaalsContact CG-C 3.42Å; N241-E265 PolarHBondContact OD1-O 2.8Å; N241-E265 VanDerWaalsContact OD1-O 3.11Å; N241-R266 VanDerWaalsContact OD1-CA 3.24Å; N241-R266 WeakPolarHBondContact OD1-CA 3.35Å; N241-R266 PolarHBondContact OD1-N 3.34Å; N241-R266 VanDerWaalsContact OD1-N 3.14Å
242N94.1Very high94.5Very high39 Ų3935.7 Ų35.721%0.20918%0.176CC..EExtended strand (participates in β ladder)trans-94.8147.2-176.4-63.1-50.8000111.4V237 D240 L244 A260V237-N242 WeakPolarHBondContact CA-O 3.49Å; D240-N242 PolarHBondContact O-N 2.94Å; D240-N242 VanDerWaalsContact O-N 3.17Å; D240-N242 PolarHBondContact O-ND2 3.38Å; D240-N242 PolarHBondContact OD1-N 2.97Å; D240-N242 PolarHBondContact OD2-ND2 2.81Å; N242-L244 HydrophobicContact CB-CD2 3.61Å; N242-L244 HydrophobicContact CB-CG 4.15Å; N242-A260 CarbonylContact C-O 3.57Å; N242-A260 WeakPolarHBondContact CA-O 3.32Å
243L96.7Very high94.1Very high17 Ų1737.8 Ų37.89%0.08918%0.182CC..EExtended strand (participates in β ladder)trans-92.6118.3153.2172.265.5000108.1V237 I245 A260 A262 L270 V280 T282V237-L243 HydrophobicContact CG1-CB 4.33Å; V237-L243 HydrophobicContact CG1-CD1 3.78Å; L243-I245 HydrophobicContact CD1-CD1 4.06Å; L243-I245 HydrophobicContact CD2-CD1 4.39Å; L243-I245 HydrophobicContact CG-CD1 4.16Å; L243-A260 PolarHBondContact N-O 3.12Å; L243-A260 PolarHBondContact O-N 2.86Å; L243-A262 HydrophobicContact CB-CB 4Å; L243-L270 HydrophobicContact CD1-CD1 4Å; L243-V280 HydrophobicContact CD2-CG1 3.69Å; L243-T282 HydrophobicContact CB-CG2 4.32Å; L243-T282 HydrophobicContact CD1-CG2 4.09Å; L243-T282 HydrophobicContact CD2-CG2 4.07Å; L243-T282 HydrophobicContact CG-CG2 4.39Å
244L97.2Very high93.8Very high11 Ų1144.7 Ų44.76%0.05821%0.207CC..EExtended strand (participates in β ladder)trans-109.5129.9174.6-50.8-173.9000109.4G235 S236 N242 W246 P256 L258 A259G235-L244 CarbonylContact C-O 3.53Å; G235-L244 WeakPolarHBondContact CA-O 3.45Å; S236-L244 PolarHBondContact N-O 2.82Å; S236-L244 PolarHBondContact O-N 2.92Å; S236-L244 PolarHBondContact OG-O 2.77Å; N242-L244 HydrophobicContact CB-CD2 3.61Å; N242-L244 HydrophobicContact CB-CG 4.15Å; L244-W246 HydrophobicContact CB-CZ2 4.13Å; L244-W246 HydrophobicContact CD1-CH2 4.46Å; L244-W246 HydrophobicContact CD1-CZ2 3.67Å; L244-P256 HydrophobicContact CB-CB 4.01Å; L244-P256 HydrophobicContact CB-CG 4.16Å; L244-P256 HydrophobicContact CD1-CG 4.28Å; L244-P256 HydrophobicContact CD2-CG 4.01Å; L244-P256 HydrophobicContact CG-CG 4.37Å; L244-L258 WeakPolarHBondContact CA-O 3.03Å; L244-A259 HydrophobicContact CD2-CB 3.51Å
245I97.6Very high93.5Very high24 Ų2451.9 Ų51.912%0.12324%0.238CC..EExtended strand (participates in β ladder)trans-106130.2171.9-51-61.7000108.4F234 L243 P256 V257 L258 F272F234-I245 WeakPolarHBondContact O-CA 3.42Å; L243-I245 HydrophobicContact CD1-CD1 4.06Å; L243-I245 HydrophobicContact CD2-CD1 4.39Å; L243-I245 HydrophobicContact CG-CD1 4.16Å; I245-P256 CarbonylContact O-C 3.48Å; I245-P256 WeakPolarHBondContact O-CB 3.08Å; I245-V257 HydrophobicContact CB-CG2 4.12Å; I245-V257 HydrophobicContact CG2-CG2 3.88Å; I245-V257 WeakPolarHBondContact O-CG2 3.28Å; I245-V257 PolarHBondContact O-N 2.86Å; I245-L258 HydrophobicContact CB-CB 4.02Å; I245-L258 HydrophobicContact CG1-CB 4.12Å; I245-L258 HydrophobicContact CG1-CD2 4.01Å; I245-L258 PolarHBondContact N-O 3.46Å; I245-L258 PolarHBondContact O-N 3.45Å; I245-F272 HydrophobicContact CD1-CE1 4.19Å; I245-F272 HydrophobicContact CD1-CZ 3.86Å
246W97.4Very high93.3Very high4 Ų453.1 Ų53.12%0.01525%0.246CC..EExtended strand (participates in β ladder)trans-116.7153.4-177.7-55.990.9000110F215 I216 H217 L233 F234 S236 L244 P256F215-W246 HydrophobicContact CB-CD2 4.43Å; F215-W246 HydrophobicContact CB-CE3 4.34Å; F215-W246 HydrophobicContact CB-CZ3 4.38Å; F215-W246 HydrophobicContact CD1-CD2 4.15Å; F215-W246 AromaticContact CD1-CE3 3.69Å; F215-W246 HydrophobicContact CD1-CE3 3.69Å; F215-W246 HydrophobicContact CD1-CZ3 4.23Å; F215-W246 HydrophobicContact CE1-CE3 4.48Å; F215-W246 HydrophobicContact CG-CE3 4.4Å; I216-W246 VanDerWaalsContact O-CH2 3.26Å; I216-W246 WeakPolarHBondContact O-CH2 3.31Å; H217-W246 AromaticContact CD2-CZ2 3.91Å; H217-W246 AromaticContact NE2-NE1 4Å; L233-W246 WeakPolarHBondContact CA-O 3.41Å; L233-W246 WeakPolarHBondContact CD2-O 3.46Å; F234-W246 HydrophobicContact CD1-CB 3.85Å; F234-W246 HydrophobicContact CD2-CB 4.07Å; F234-W246 AromaticContact CD2-CD1 3.7Å; F234-W246 HydrophobicContact CD2-CG 4.17Å; F234-W246 HydrophobicContact CE1-CB 3.35Å; F234-W246 HydrophobicContact CE1-CG 4.11Å; F234-W246 HydrophobicContact CE2-CB 3.6Å; F234-W246 AromaticContact CE2-CD1 3.18Å; F234-W246 HydrophobicContact CE2-CD2 4.43Å; F234-W246 AromaticContact CE2-CG 3.47Å; F234-W246 HydrophobicContact CE2-CG 3.47Å; F234-W246 VanDerWaalsContact CE2-CG 3.47Å; F234-W246 AromaticContact CE2-NE1 3.98Å; F234-W246 HydrophobicContact CG-CB 4.18Å; F234-W246 HydrophobicContact CZ-CB 3.21Å; F234-W246 AromaticContact CZ-CD1 3.68Å; F234-W246 HydrophobicContact CZ-CD2 4.28Å; F234-W246 AromaticContact CZ-CG 3.43Å; F234-W246 HydrophobicContact CZ-CG 3.43Å; F234-W246 VanDerWaalsContact CZ-CG 3.43Å; F234-W246 PolarHBondContact N-O 3.07Å; F234-W246 VanDerWaalsContact N-O 3.13Å; F234-W246 PolarHBondContact O-N 3.33Å; S236-W246 PolarHBondContact OG-NE1 2.88Å; L244-W246 HydrophobicContact CB-CZ2 4.13Å; L244-W246 HydrophobicContact CD1-CH2 4.46Å; L244-W246 HydrophobicContact CD1-CZ2 3.67Å; W246-P256 HydrophobicContact CD2-CB 3.91Å; W246-P256 HydrophobicContact CE3-CB 3.88Å; W246-P256 HydrophobicContact CH2-CB 4.06Å; W246-P256 HydrophobicContact CH2-CG 4.25Å; W246-P256 HydrophobicContact CZ2-CB 4.11Å; W246-P256 HydrophobicContact CZ2-CG 4.43Å; W246-P256 HydrophobicContact CZ3-CB 3.96Å; W246-P256 HydrophobicContact CZ3-CG 4.46Å
247D96.2Very high93.2Very high12 Ų1256.6 Ų56.66%0.06427%0.267CS..EExtended strand (participates in β ladder)trans-132.7118.4173.7-178.7-15.1000108.8T232 L233 R249 F250 V257T232-D247 WeakPolarHBondContact CB-OD1 3.09Å; T232-D247 CarbonylContact O-C 3.48Å; T232-D247 WeakPolarHBondContact O-CA 3.28Å; T232-D247 PolarHBondContact OG1-OD1 3.46Å; L233-D247 HydrophobicContact CD2-CB 3.46Å; L233-D247 VanDerWaalsContact CD2-CB 3.46Å; D247-R249 PolarHBondContact O-N 2.91Å; D247-R249 VanDerWaalsContact O-N 3.12Å; D247-R249 WeakPolarHBondContact OD1-CB 3.32Å; D247-R249 WeakPolarHBondContact OD1-CG 3.04Å; D247-R249 IonicContact OD1-CZ 3.6Å; D247-R249 PolarHBondContact OD1-N 2.78Å; D247-R249 VanDerWaalsContact OD1-N 3.11Å; D247-R249 IonicContact OD1-NE 2.76Å; D247-R249 PolarHBondContact OD1-NE 3.27Å; D247-R249 IonicContact OD1-NH2 3.57Å; D247-R249 IonicContact OD2-CZ 3.67Å; D247-R249 IonicContact OD2-NE 3.58Å; D247-R249 PolarHBondContact OD2-NE 3.16Å; D247-R249 VanDerWaalsContact OD2-NE 3.16Å; D247-R249 IonicContact OD2-NH2 2.56Å; D247-R249 PolarHBondContact OD2-NH2 2.56Å; D247-F250 HydrophobicContact CB-CD2 3.69Å; D247-F250 HydrophobicContact CB-CE2 3.84Å; D247-F250 PolarHBondContact O-N 2.89Å; D247-F250 VanDerWaalsContact O-N 3.16Å; D247-F250 WeakPolarHBondContact OD2-CE2 3.39Å; D247-V257 HydrophobicContact CB-CG1 3.79Å; D247-V257 HydrophobicContact CB-CG2 4.37Å
248T94.6Very high93.2Very high36 Ų3660.8 Ų60.822%0.22129%0.289CS..THydrogen-bonded Turntrans-65.3-15.3-172.658.40000113.6L197 F215 W226 T232 F234 F250L197-T248 HydrophobicContact CD2-CG2 4.07Å; F215-T248 HydrophobicContact CZ-CG2 4.25Å; W226-T248 HydrophobicContact CH2-CG2 3.87Å; W226-T248 HydrophobicContact CZ3-CG2 4.04Å; T232-T248 WeakPolarHBondContact CA-OG1 3.37Å; T232-T248 VanDerWaalsContact CB-OG1 3.32Å; T232-T248 WeakPolarHBondContact CB-OG1 3.32Å; T232-T248 PolarHBondContact O-N 3.1Å; T232-T248 PolarHBondContact O-OG1 3.25Å; F234-T248 HydrophobicContact CD1-CG2 4.11Å; F234-T248 HydrophobicContact CE1-CG2 3.91Å; T248-F250 VanDerWaalsContact C-N 3.31Å
249R93.1Very high93.2Very high171 Ų17164 Ų6465%0.64532%0.316SS*.THydrogen-bonded Turntrans-72.5-24.3176.9-60.6176.2-65179.81.3112.8T232 D247T232-R249 HydrophobicContact CG2-CG 3.73Å; T232-R249 PolarHBondContact OG1-NE 3.34Å; D247-R249 PolarHBondContact O-N 2.91Å; D247-R249 VanDerWaalsContact O-N 3.12Å; D247-R249 WeakPolarHBondContact OD1-CB 3.32Å; D247-R249 WeakPolarHBondContact OD1-CG 3.04Å; D247-R249 IonicContact OD1-CZ 3.6Å; D247-R249 PolarHBondContact OD1-N 2.78Å; D247-R249 VanDerWaalsContact OD1-N 3.11Å; D247-R249 IonicContact OD1-NE 2.76Å; D247-R249 PolarHBondContact OD1-NE 3.27Å; D247-R249 IonicContact OD1-NH2 3.57Å; D247-R249 IonicContact OD2-CZ 3.67Å; D247-R249 IonicContact OD2-NE 3.58Å; D247-R249 PolarHBondContact OD2-NE 3.16Å; D247-R249 VanDerWaalsContact OD2-NE 3.16Å; D247-R249 IonicContact OD2-NH2 2.56Å; D247-R249 PolarHBondContact OD2-NH2 2.56Å
250F89Confident93.2Very high111 Ų11164.1 Ų64.149%0.48732%0.323SS..SBendtrans-86.1144.1178-60.6-70.4000111D247 T248 S252 R253 V257D247-F250 HydrophobicContact CB-CD2 3.69Å; D247-F250 HydrophobicContact CB-CE2 3.84Å; D247-F250 PolarHBondContact O-N 2.89Å; D247-F250 VanDerWaalsContact O-N 3.16Å; D247-F250 WeakPolarHBondContact OD2-CE2 3.39Å; T248-F250 VanDerWaalsContact C-N 3.31Å; F250-S252 VanDerWaalsContact C-N 3.27Å; F250-S252 PolarHBondContact O-N 2.83Å; F250-R253 PolarHBondContact O-NH1 3.33Å; F250-V257 HydrophobicContact CD2-CG1 3.6Å; F250-V257 HydrophobicContact CE2-CG1 3.58Å
251N80.4Confident93.3Very high143 Ų14369.1 Ų69.177%0.76535%0.348SS*.  trans-79.5-5177.8-81.4-17.6000114.2R253N251-R253 VanDerWaalsContact CA-NH1 3.29Å; N251-R253 PolarHBondContact O-NH1 3.02Å
252S87.4Confident93.3Very high30 Ų3068.8 Ų68.821%0.2135%0.351CS..  trans-72.8136.1176-165.10000110.9F250 K255F250-S252 VanDerWaalsContact C-N 3.27Å; F250-S252 PolarHBondContact O-N 2.83Å; S252-K255 WeakPolarHBondContact OG-CB 3.35Å; S252-K255 PolarHBondContact OG-N 3.11Å; S252-K255 VanDerWaalsContact OG-N 3.11Å
253R88.4Confident93.2Very high64 Ų6469.6 Ų69.624%0.24235%0.353CS..SBendtrans-109.1-14177.4-54.6-58.4171-116.64.1113.1N214 F215 I216 F250 N251N214-R253 WeakPolarHBondContact O-CB 3.09Å; N214-R253 WeakPolarHBondContact O-CD 3.1Å; F215-R253 CarbonylContact C-O 3.58Å; F215-R253 WeakPolarHBondContact CA-O 3.46Å; I216-R253 PolarHBondContact N-O 3.29Å; F250-R253 PolarHBondContact O-NH1 3.33Å; N251-R253 VanDerWaalsContact CA-NH1 3.29Å; N251-R253 PolarHBondContact O-NH1 3.02Å
254Y90.1Very high93Very high180 Ų18072 Ų7271%0.70638%0.382SS*.SBendtrans-118.9-8.2-175.260.1-90000112.3
255K92.1Very high92.7Very high152 Ų15278 Ų7866%0.66141%0.41SS*.  trans-118.9101.9179.7-167.2178.3179.1179.60110S252S252-K255 WeakPolarHBondContact OG-CB 3.35Å; S252-K255 PolarHBondContact OG-N 3.11Å; S252-K255 VanDerWaalsContact OG-N 3.11Å
256P94.9Very high92.5Very high25 Ų2583.5 Ų83.516%0.16243%0.429CS..  trans-66.1160.1172.828.6-33.8000110.7L244 I245 W246 L258 A259L244-P256 HydrophobicContact CB-CB 4.01Å; L244-P256 HydrophobicContact CB-CG 4.16Å; L244-P256 HydrophobicContact CD1-CG 4.28Å; L244-P256 HydrophobicContact CD2-CG 4.01Å; L244-P256 HydrophobicContact CG-CG 4.37Å; I245-P256 CarbonylContact O-C 3.48Å; I245-P256 WeakPolarHBondContact O-CB 3.08Å; W246-P256 HydrophobicContact CD2-CB 3.91Å; W246-P256 HydrophobicContact CE3-CB 3.88Å; W246-P256 HydrophobicContact CH2-CB 4.06Å; W246-P256 HydrophobicContact CH2-CG 4.25Å; W246-P256 HydrophobicContact CZ2-CB 4.11Å; W246-P256 HydrophobicContact CZ2-CG 4.43Å; W246-P256 HydrophobicContact CZ3-CB 3.96Å; W246-P256 HydrophobicContact CZ3-CG 4.46Å; P256-L258 VanDerWaalsContact C-N 3.31Å; P256-A259 HydrophobicContact CG-CB 4.14Å
257V95.5Very high92.3Very high74 Ų7483.3 Ų83.345%0.44843%0.429SS..SBendtrans-73.5-28.1175.6-65.50000111.9I245 D247 F250I245-V257 HydrophobicContact CB-CG2 4.12Å; I245-V257 HydrophobicContact CG2-CG2 3.88Å; I245-V257 WeakPolarHBondContact O-CG2 3.28Å; I245-V257 PolarHBondContact O-N 2.86Å; D247-V257 HydrophobicContact CB-CG1 3.79Å; D247-V257 HydrophobicContact CB-CG2 4.37Å; F250-V257 HydrophobicContact CD2-CG1 3.6Å; F250-V257 HydrophobicContact CE2-CG1 3.58Å
258L95.5Very high92.2Very high88 Ų8884.9 Ų84.946%0.46144%0.437SS..EExtended strand (participates in β ladder)trans-140.2137.4172-177.7152.8000109.2L244 I245 P256 A260L244-L258 WeakPolarHBondContact CA-O 3.03Å; I245-L258 HydrophobicContact CB-CB 4.02Å; I245-L258 HydrophobicContact CG1-CB 4.12Å; I245-L258 HydrophobicContact CG1-CD2 4.01Å; I245-L258 PolarHBondContact N-O 3.46Å; I245-L258 PolarHBondContact O-N 3.45Å; P256-L258 VanDerWaalsContact C-N 3.31Å; L258-A260 HydrophobicContact CD2-CB 3.96Å
259A95.3Very high92.3Very high68 Ų6883.6 Ų83.656%0.56243%0.429SS*.EExtended strand (participates in β ladder)trans-129.7125.9169.400000108L244 P256L244-A259 HydrophobicContact CD2-CB 3.51Å; P256-A259 HydrophobicContact CG-CB 4.14Å
260A95.2Very high92.5Very high42 Ų4276.1 Ų76.135%0.34740%0.402SS..EExtended strand (participates in β ladder)trans-135.6137.4177.100000109.8N242 L243 L258 A262N242-A260 CarbonylContact C-O 3.57Å; N242-A260 WeakPolarHBondContact CA-O 3.32Å; L243-A260 PolarHBondContact N-O 3.12Å; L243-A260 PolarHBondContact O-N 2.86Å; L258-A260 HydrophobicContact CD2-CB 3.96Å; A260-A262 PolarHBondContact O-N 3.05Å; A260-A262 VanDerWaalsContact O-N 3.12Å
261L95.5Very high92.8Very high123 Ų12371.5 Ų71.564%0.64438%0.383SS*.EExtended strand (participates in β ladder)trans-65.5112.6170-176.169.2000108.1N241 H263N241-L261 HydrophobicContact CB-CD1 3.82Å; L261-H263 WeakPolarHBondContact CD1-O 3.23Å
262A93.3Very high93.7Very high31 Ų3165.2 Ų65.226%0.25635%0.349SS..  trans-85.4-42-174.500000111.6N241 L243 A260 T267 T282N241-A262 PolarHBondContact O-N 3Å; L243-A262 HydrophobicContact CB-CB 4Å; A260-A262 PolarHBondContact O-N 3.05Å; A260-A262 VanDerWaalsContact O-N 3.12Å; A262-T267 HydrophobicContact CB-CG2 4.31Å; A262-T282 HydrophobicContact CB-CG2 4.47Å
263H92.3Very high94.2Very high55 Ų5563.8 Ų63.826%0.25534%0.34SS..  trans-141.4162.8-176.4-67.7-89.7000110.9N241 L261 E265 T267 T282 S284N241-H263 WeakPolarHBondContact CB-O 3.35Å; N241-H263 PolarHBondContact O-N 2.96Å; L261-H263 WeakPolarHBondContact CD1-O 3.23Å; H263-E265 WeakPolarHBondContact CB-O 3.47Å; H263-E265 PolarHBondContact O-N 2.86Å; H263-T267 PolarHBondContact CD2-OG1 3.46Å; H263-T267 VanDerWaalsContact CD2-OG1 3.32Å; H263-T282 PolarHBondContact NE2-O 3.17Å; H263-T282 PolarHBondContact NE2-OG1 2.83Å; H263-S284 VanDerWaalsContact CB-OG 3.25Å; H263-S284 WeakPolarHBondContact CB-OG 3.49Å; H263-S284 PolarHBondContact ND1-OG 3.39Å; H263-S284 VanDerWaalsContact ND1-OG 3.12Å
264G91.9Very high94.5Very high68 Ų6864.3 Ų64.370%0.70135%0.345SS*.SBendtrans-74.2-13.5170.200000113.6N241N241-G264 PolarHBondContact ND2-O 3.17Å
265E90.9Very high94.9Very high138 Ų13860.1 Ų60.165%0.64533%0.33SS*.SBendtrans-127.9178.3-178.8-68.2-66.5151.500109.9N241 H263 T267N241-E265 WeakPolarHBondContact CB-O 3.37Å; N241-E265 VanDerWaalsContact CG-C 3.42Å; N241-E265 PolarHBondContact OD1-O 2.8Å; N241-E265 VanDerWaalsContact OD1-O 3.11Å; H263-E265 WeakPolarHBondContact CB-O 3.47Å; H263-E265 PolarHBondContact O-N 2.86Å; E265-T267 PolarHBondContact O-N 2.97Å
266R93Very high95Very high138 Ų13853.8 Ų53.852%0.52131%0.305SS..  trans-55.3129.3-179.2-59.7177.2-66.1164.42.8111.1D239 N241 S284D239-R266 HydrophobicContact CB-CG 4.25Å; D239-R266 WeakPolarHBondContact OD1-CD 3.22Å; N241-R266 VanDerWaalsContact OD1-CA 3.24Å; N241-R266 WeakPolarHBondContact OD1-CA 3.35Å; N241-R266 PolarHBondContact OD1-N 3.34Å; N241-R266 VanDerWaalsContact OD1-N 3.14Å; R266-S284 PolarHBondContact O-OG 3.46Å
267T94.8Very high95Very high0 Ų056.6 Ų56.60%032%0.316CS..  trans-91.7122.1177.3-53.60000109N222 V237 G238 A262 H263 E265N222-T267 WeakPolarHBondContact CB-O 3.31Å; N222-T267 PolarHBondContact ND2-O 2.87Å; V237-T267 HydrophobicContact CB-CG2 3.55Å; V237-T267 HydrophobicContact CG1-CG2 3.66Å; V237-T267 HydrophobicContact CG2-CG2 3.85Å; G238-T267 PolarHBondContact O-N 2.96Å; A262-T267 HydrophobicContact CB-CG2 4.31Å; H263-T267 PolarHBondContact CD2-OG1 3.46Å; H263-T267 VanDerWaalsContact CD2-OG1 3.32Å; E265-T267 PolarHBondContact O-N 2.97Å
268L94Very high95Very high46 Ų4661.8 Ų61.824%0.24133%0.329CS..  trans-100.5-30.6-168.3-62.7-178.3000113N222 A223 G283 S284 A285N222-L268 HydrophobicContact CB-CD2 4.48Å; A223-L268 WeakPolarHBondContact CB-O 3.23Å; L268-G283 PolarHBondContact N-O 3.13Å; L268-S284 WeakPolarHBondContact CD1-O 3.39Å; L268-A285 WeakPolarHBondContact CB-O 3.42Å
269C95.1Very high95Very high9 Ų960.7 Ų60.76%0.06132%0.323CS..EExtended strand (participates in β ladder)trans-144.3157.9-17760.20000112.8T282 G283 A285 I288C269-T282 WeakPolarHBondContact O-CA 3.45Å; C269-G283 PolarHBondContact N-O 2.98Å; C269-G283 VanDerWaalsContact N-O 3.12Å; C269-G283 PolarHBondContact O-N 3.42Å; C269-A285 PolarHBondContact SG-O 3.07Å; C269-I288 HydrophobicContact CB-CG2 4.24Å; C269-I288 VanDerWaalsContact SG-CG2 3.55Å; C269-I288 PolarHBondContact SG-N 3.33Å
270L96.9Very high95.1Very high13 Ų1359.7 Ų59.77%0.06831%0.31CS..EExtended strand (participates in β ladder)trans-141.6151.8170.177.1162.4000110.7A223 V237 L243 F272 A281 T282A223-L270 HydrophobicContact CB-CD2 3.51Å; A223-L270 WeakPolarHBondContact O-CD2 3.43Å; V237-L270 HydrophobicContact CG1-CB 3.99Å; V237-L270 HydrophobicContact CG1-CD1 4.45Å; V237-L270 HydrophobicContact CG1-CD2 4.38Å; V237-L270 HydrophobicContact CG1-CG 4.5Å; V237-L270 HydrophobicContact CG2-CB 4.49Å; V237-L270 HydrophobicContact CG2-CD2 3.96Å; L243-L270 HydrophobicContact CD1-CD1 4Å; L270-F272 HydrophobicContact CD1-CE2 4.11Å; L270-A281 CarbonylContact C-O 3.6Å; L270-A281 VanDerWaalsContact CA-O 3.24Å; L270-A281 WeakPolarHBondContact CA-O 3.43Å; L270-T282 HydrophobicContact CB-CG2 4.17Å
271S97.3Very high95.1Very high14 Ų1458.5 Ų58.510%0.09830%0.3CS..EExtended strand (participates in β ladder)trans-144.7126.2170.9-169.10000109.5A281 W290S271-A281 PolarHBondContact N-O 2.87Å; S271-A281 PolarHBondContact O-N 2.89Å; S271-W290 PolarHBondContact O-NE1 3.49Å; S271-W290 PolarHBondContact OG-N 3.48Å
272F97.9Very high95.1Very high11 Ų1154.3 Ų54.35%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-74.6147.1168.2-71.9-78.1000110.3S225 W226 H227 I245 L270 V280S225-F272 WeakPolarHBondContact O-CE2 3.28Å; W226-F272 WeakPolarHBondContact O-CD2 3.41Å; H227-F272 AromaticContact CD2-CD1 3.45Å; H227-F272 VanDerWaalsContact CD2-CD1 3.45Å; H227-F272 WeakPolarHBondContact CD2-CD1 3.42Å; H227-F272 AromaticContact CD2-CE1 3.66Å; H227-F272 AromaticContact CD2-CG 3.99Å; I245-F272 HydrophobicContact CD1-CE1 4.19Å; I245-F272 HydrophobicContact CD1-CZ 3.86Å; L270-F272 HydrophobicContact CD1-CE2 4.11Å; F272-V280 HydrophobicContact CD1-CB 3.75Å; F272-V280 HydrophobicContact CD1-CG2 3.89Å; F272-V280 HydrophobicContact CE1-CB 3.83Å; F272-V280 HydrophobicContact CE1-CG2 3.86Å; F272-V280 HydrophobicContact CG-CG2 4.3Å; F272-V280 HydrophobicContact CZ-CG2 4.25Å
273N97.5Very high95Very high1 Ų153.2 Ų53.21%0.00527%0.271CS..  trans-73137.9172.3-172.6-74.1000109.5F275 S276 I279 W290 Q295N273-F275 VanDerWaalsContact C-N 3.29Å; N273-F275 PolarHBondContact O-N 3.21Å; N273-F275 WeakPolarHBondContact OD1-CA 3.45Å; N273-F275 WeakPolarHBondContact OD1-CB 3.27Å; N273-F275 PolarHBondContact OD1-N 3.35Å; N273-S276 PolarHBondContact OD1-N 2.9Å; N273-I279 HydrophobicContact CB-CB 3.79Å; N273-I279 HydrophobicContact CB-CG2 3.92Å; N273-I279 WeakPolarHBondContact CB-O 3.44Å; N273-I279 PolarHBondContact N-O 2.88Å; N273-W290 HydrophobicContact CB-CD2 4.11Å; N273-W290 HydrophobicContact CB-CG 4.31Å; N273-W290 HydrophobicContact CB-CZ2 4.4Å; N273-W290 WeakPolarHBondContact ND2-CZ3 3.39Å; N273-Q295 PolarHBondContact ND2-O 3.29Å
274H96.4Very high94.7Very high75 Ų7552.9 Ų52.935%0.34728%0.275SS..SBendtrans-74.1-18.9-176.7-72.6-92.8000113.7
275F96.6Very high93.8Very high91 Ų9151.4 Ų51.440%0.39926%0.256SS..SBendtrans-111.9-28.9-172-55.5-90000112.9N273 P292 Q295N273-F275 VanDerWaalsContact C-N 3.29Å; N273-F275 PolarHBondContact O-N 3.21Å; N273-F275 WeakPolarHBondContact OD1-CA 3.45Å; N273-F275 WeakPolarHBondContact OD1-CB 3.27Å; N273-F275 PolarHBondContact OD1-N 3.35Å; F275-P292 VanDerWaalsContact CZ-O 3.27Å; F275-P292 WeakPolarHBondContact CZ-O 3.23Å; F275-Q295 HydrophobicContact CB-CB 4.11Å; F275-Q295 HydrophobicContact CB-CG 3.88Å; F275-Q295 VanDerWaalsContact CD2-CA 3.5Å; F275-Q295 HydrophobicContact CD2-CB 3.76Å; F275-Q295 HydrophobicContact CD2-CG 4.27Å; F275-Q295 HydrophobicContact CE2-CB 4.34Å; F275-Q295 HydrophobicContact CG-CB 3.93Å; F275-Q295 HydrophobicContact CG-CG 4.26Å
276S95.3Very high93.2Very high20 Ų2046.8 Ų46.814%0.1424%0.236CC..  trans-112122-178-178.90000111.6N273 Y278 I279N273-S276 PolarHBondContact OD1-N 2.9Å; S276-Y278 PolarHBondContact O-N 2.96Å; S276-Y278 PolarHBondContact OG-N 3.05Å; S276-I279 WeakPolarHBondContact OG-CG1 3.45Å
277E94.9Very high93.1Very high83 Ų8341.9 Ų41.939%0.38822%0.218SC..THydrogen-bonded Turntrans-68-10176.367.4-177.8120.300113.9H227 L229 H230H227-E277 PolarHBondContact NE2-O 2.78Å; L229-E277 HydrophobicContact CD1-CB 4.07Å; H230-E277 IonicContact CE1-OE2 3.78Å; H230-E277 IonicContact NE2-OE2 3.9Å; H230-E277 PolarHBondContact NE2-OE2 2.88Å
278Y95Very high93Very high184 Ų18443.2 Ų43.272%0.72223%0.225SC*.THydrogen-bonded Turntrans-108.3-5.6-174.1-54.6-69.3000113.7S276S276-Y278 PolarHBondContact O-N 2.96Å; S276-Y278 PolarHBondContact OG-N 3.05Å
279I96.2Very high93.1Very high65 Ų6541.9 Ų41.933%0.33322%0.22SC..  trans-111.3126.6-171.5-61.4173.9000110.4N273 S276 W290N273-I279 HydrophobicContact CB-CB 3.79Å; N273-I279 HydrophobicContact CB-CG2 3.92Å; N273-I279 WeakPolarHBondContact CB-O 3.44Å; N273-I279 PolarHBondContact N-O 2.88Å; S276-I279 WeakPolarHBondContact OG-CG1 3.45Å; I279-W290 HydrophobicContact CG2-CH2 3.77Å; I279-W290 HydrophobicContact CG2-CZ2 3.33Å
280V96.8Very high93.1Very high47 Ų4741.9 Ų41.929%0.28522%0.219SC..EExtended strand (participates in β ladder)trans-135.6138.317159.50000108.3L243 F272L243-V280 HydrophobicContact CD2-CG1 3.69Å; F272-V280 HydrophobicContact CD1-CB 3.75Å; F272-V280 HydrophobicContact CD1-CG2 3.89Å; F272-V280 HydrophobicContact CE1-CB 3.83Å; F272-V280 HydrophobicContact CE1-CG2 3.86Å; F272-V280 HydrophobicContact CG-CG2 4.3Å; F272-V280 HydrophobicContact CZ-CG2 4.25Å
281A95.8Very high93Very high17 Ų1741.3 Ų41.314%0.1422%0.216CC..EExtended strand (participates in β ladder)trans-106.9139.7173.200000109L270 S271 I288 W290 I298L270-A281 CarbonylContact C-O 3.6Å; L270-A281 VanDerWaalsContact CA-O 3.24Å; L270-A281 WeakPolarHBondContact CA-O 3.43Å; S271-A281 PolarHBondContact N-O 2.87Å; S271-A281 PolarHBondContact O-N 2.89Å; A281-I288 HydrophobicContact CB-CD1 3.79Å; A281-W290 HydrophobicContact CB-CZ2 4.08Å; A281-I298 HydrophobicContact CB-CD1 3.35Å
282T96Very high93Very high35 Ų3542.4 Ų42.422%0.21522%0.223CC..EExtended strand (participates in β ladder)trans-124.3147.1174.461.30000109.2V237 L243 A262 H263 C269 L270V237-T282 HydrophobicContact CG1-CG2 4.12Å; L243-T282 HydrophobicContact CB-CG2 4.32Å; L243-T282 HydrophobicContact CD1-CG2 4.09Å; L243-T282 HydrophobicContact CD2-CG2 4.07Å; L243-T282 HydrophobicContact CG-CG2 4.39Å; A262-T282 HydrophobicContact CB-CG2 4.47Å; H263-T282 PolarHBondContact NE2-O 3.17Å; H263-T282 PolarHBondContact NE2-OG1 2.83Å; C269-T282 WeakPolarHBondContact O-CA 3.45Å; L270-T282 HydrophobicContact CB-CG2 4.17Å
283G91.4Very high92.8Very high8 Ų844.3 Ų44.38%0.08223%0.232CC..EExtended strand (participates in β ladder)trans-130.813517900000111.4L268 C269L268-G283 PolarHBondContact N-O 3.13Å; C269-G283 PolarHBondContact N-O 2.98Å; C269-G283 VanDerWaalsContact N-O 3.12Å; C269-G283 PolarHBondContact O-N 3.42Å
284S85.7Confident92.6Very high47 Ų4747.8 Ų47.833%0.32925%0.249SC..SBendtrans-80.66.2156.3-58.60000111.7H263 R266 L268H263-S284 VanDerWaalsContact CB-OG 3.25Å; H263-S284 WeakPolarHBondContact CB-OG 3.49Å; H263-S284 PolarHBondContact ND1-OG 3.39Å; H263-S284 VanDerWaalsContact ND1-OG 3.12Å; R266-S284 PolarHBondContact O-OG 3.46Å; L268-S284 WeakPolarHBondContact CD1-O 3.39Å
285A72.8Confident92.5Very high37 Ų3749.5 Ų49.531%0.30626%0.257SS..SBendtrans-90.5164.3169.300000110.4L268 C269 K287L268-A285 WeakPolarHBondContact CB-O 3.42Å; C269-A285 PolarHBondContact SG-O 3.07Å; A285-K287 PolarHBondContact O-N 3.21Å
286D77.6Confident92.4Very high42 Ų4245.9 Ų45.923%0.22524%0.243CC..SBendtrans-65.5-33.8-170.1-65.8-19.5000113.9R301 R358D286-R301 VanDerWaalsContact CB-NH1 3.35Å; D286-R301 IonicContact OD2-CZ 2.78Å; D286-R301 IonicContact OD2-NH1 3.89Å; D286-R301 PolarHBondContact OD2-NH1 3.36Å; D286-R301 IonicContact OD2-NH2 3.16Å; D286-R301 PolarHBondContact OD2-NH2 3.39Å; D286-R358 IonicContact OD1-NH2 3.9Å; D286-R358 IonicContact OD2-CZ 3.93Å; D286-R358 IonicContact OD2-NE 3.59Å; D286-R358 IonicContact OD2-NH2 2.81Å; D286-R358 PolarHBondContact OD2-NH2 2.88Å
287K90.4Very high92.2Very high35 Ų3545.1 Ų45.115%0.15224%0.238CC..EExtended strand (participates in β ladder)trans-153.2144.1177.4-167.6172.4-174.4-170.40113A285 S300 R301 D361 F362A285-K287 PolarHBondContact O-N 3.21Å; K287-S300 CarbonylContact O-C 3.58Å; K287-S300 WeakPolarHBondContact O-CA 3.46Å; K287-R301 HydrophobicContact CB-CB 4.14Å; K287-R301 PolarHBondContact O-N 3.26Å; K287-D361 WeakPolarHBondContact CD-OD1 2.94Å; K287-D361 VanDerWaalsContact CE-OD1 3.32Å; K287-D361 WeakPolarHBondContact CE-OD1 3.19Å; K287-D361 IonicContact NZ-OD1 2.71Å; K287-D361 PolarHBondContact NZ-OD1 3.18Å; K287-D361 IonicContact NZ-OD2 3.4Å; K287-F362 HydrophobicContact CB-CE1 3.99Å; K287-F362 HydrophobicContact CD-CD1 4.13Å; K287-F362 HydrophobicContact CD-CE1 3.98Å; K287-F362 HydrophobicContact CG-CD1 4.47Å; K287-F362 HydrophobicContact CG-CE1 3.85Å; K287-F362 HydrophobicContact CG-CZ 4.42Å; K287-F362 PolarHBondContact NZ-O 2.74Å
288I93.7Very high92.2Very high27 Ų2741.7 Ų41.714%0.13822%0.222CC..EExtended strand (participates in β ladder)trans-138.1144172.5-159.3171.2000109.7C269 A281 I298 A299C269-I288 HydrophobicContact CB-CG2 4.24Å; C269-I288 VanDerWaalsContact SG-CG2 3.55Å; C269-I288 PolarHBondContact SG-N 3.33Å; A281-I288 HydrophobicContact CB-CD1 3.79Å; I288-I298 HydrophobicContact CD1-CD1 3.41Å; I288-I298 VanDerWaalsContact CD1-CD1 3.41Å; I288-I298 HydrophobicContact CD1-CG1 4.08Å; I288-I298 HydrophobicContact CG1-CD1 3.52Å; I288-I298 HydrophobicContact CG1-CG1 3.71Å; I288-A299 CarbonylContact C-O 3.44Å; I288-A299 VanDerWaalsContact CA-O 3.31Å; I288-A299 WeakPolarHBondContact CA-O 3.29Å; I288-A299 WeakPolarHBondContact CG1-O 3.36Å
289A95.4Very high92Very high18 Ų1832.9 Ų32.915%0.14919%0.188CC..EExtended strand (participates in β ladder)trans-152.1125.7177.400000111.4A299 F362 W364A289-A299 PolarHBondContact N-O 3.34Å; A289-A299 PolarHBondContact O-N 3.18Å; A289-F362 HydrophobicContact CB-CE2 3.95Å; A289-F362 HydrophobicContact CB-CZ 3.95Å; A289-W364 PolarHBondContact O-NE1 2.79Å
290W96.2Very high91.8Very high9 Ų930.8 Ų30.83%0.03418%0.178CC..EExtended strand (participates in β ladder)trans-64.6145.7170.7-74.398.5000111.1S271 N273 I279 A281 Q295 I298 L312S271-W290 PolarHBondContact O-NE1 3.49Å; S271-W290 PolarHBondContact OG-N 3.48Å; N273-W290 HydrophobicContact CB-CD2 4.11Å; N273-W290 HydrophobicContact CB-CG 4.31Å; N273-W290 HydrophobicContact CB-CZ2 4.4Å; N273-W290 WeakPolarHBondContact ND2-CZ3 3.39Å; I279-W290 HydrophobicContact CG2-CH2 3.77Å; I279-W290 HydrophobicContact CG2-CZ2 3.33Å; A281-W290 HydrophobicContact CB-CZ2 4.08Å; W290-Q295 WeakPolarHBondContact CZ3-O 3.49Å; W290-I298 HydrophobicContact CD2-CB 4.2Å; W290-I298 HydrophobicContact CD2-CD1 3.82Å; W290-I298 HydrophobicContact CD2-CG1 4.2Å; W290-I298 HydrophobicContact CE3-CB 3.95Å; W290-I298 HydrophobicContact CE3-CD1 4.35Å; W290-I298 HydrophobicContact CE3-CG1 4.46Å; W290-I298 HydrophobicContact CG-CD1 4.15Å; W290-I298 HydrophobicContact CG-CG1 4.39Å; W290-I298 HydrophobicContact CZ2-CD1 4.06Å; W290-I298 HydrophobicContact CZ3-CB 4.3Å; W290-L312 HydrophobicContact CH2-CD1 3.23Å; W290-L312 HydrophobicContact CZ2-CD1 4.31Å; W290-L312 HydrophobicContact CZ3-CD1 3.63Å
291S95.1Very high91.4Very high1 Ų129.5 Ų29.51%0.00717%0.169CC..  trans-65.1132.9170175.90000109.5H293 E294 V297S291-H293 PolarHBondContact O-N 3.45Å; S291-H293 PolarHBondContact OG-N 3.42Å; S291-E294 PolarHBondContact OG-N 2.71Å; S291-E294 VanDerWaalsContact OG-N 3.15Å; S291-V297 WeakPolarHBondContact CB-O 3.5Å; S291-V297 PolarHBondContact N-O 2.97Å
292P95.5Very high90.6Very high38 Ų3829.8 Ų29.825%0.24717%0.173CC..SBendtrans-76.8-7.6172.931.3-33.3000112.7F275 W364F275-P292 VanDerWaalsContact CZ-O 3.27Å; F275-P292 WeakPolarHBondContact CZ-O 3.23Å; P292-W364 HydrophobicContact CG-CB 4.13Å
293H94.9Very high89.7Confident51 Ų5133 Ų3324%0.23619%0.193CC..SBendtrans-110-25.2-176.4-59.6-73.3000113.6S291 N365 P366 P369S291-H293 PolarHBondContact O-N 3.45Å; S291-H293 PolarHBondContact OG-N 3.42Å; H293-N365 PolarHBondContact NE2-O 2.87Å; H293-P366 PolarHBondContact CE1-O 3.16Å; H293-P366 PolarHBondContact NE2-O 2.82Å; H293-P369 HydrophobicContact CB-CB 4.05Å; H293-P369 HydrophobicContact CB-CG 4.15Å; H293-P369 VanDerWaalsContact CD2-CA 3.49Å; H293-P369 WeakPolarHBondContact CD2-CA 3.23Å
294E93.1Very high89Confident74 Ų7434.1 Ų34.135%0.34620%0.204SC..  trans-130.3115.3-170.1-61.9-69.9-178.800110.2S291 A296 V297 W370S291-E294 PolarHBondContact OG-N 2.71Å; S291-E294 VanDerWaalsContact OG-N 3.15Å; E294-A296 VanDerWaalsContact C-N 3.3Å; E294-A296 PolarHBondContact O-N 2.93Å; E294-V297 HydrophobicContact CB-CB 3.73Å; E294-V297 HydrophobicContact CB-CG2 3.56Å; E294-V297 HydrophobicContact CG-CG2 4.25Å; E294-V297 PolarHBondContact O-N 3.06Å; E294-W370 HydrophobicContact CB-CZ2 4.5Å; E294-W370 HydrophobicContact CG-CZ2 3.67Å; E294-W370 PolarHBondContact OE1-NE1 3.39Å
295Q94.1Very high88.4Confident111 Ų11133 Ų3352%0.51920%0.196SC..THydrogen-bonded Turntrans-61.9-35.1-171.6175.4173.8-10.500113.8N273 F275 W290N273-Q295 PolarHBondContact ND2-O 3.29Å; F275-Q295 HydrophobicContact CB-CB 4.11Å; F275-Q295 HydrophobicContact CB-CG 3.88Å; F275-Q295 VanDerWaalsContact CD2-CA 3.5Å; F275-Q295 HydrophobicContact CD2-CB 3.76Å; F275-Q295 HydrophobicContact CD2-CG 4.27Å; F275-Q295 HydrophobicContact CE2-CB 4.34Å; F275-Q295 HydrophobicContact CG-CB 3.93Å; F275-Q295 HydrophobicContact CG-CG 4.26Å; W290-Q295 WeakPolarHBondContact CZ3-O 3.49Å
296A93.6Very high88.6Confident14 Ų1432.6 Ų32.612%0.11619%0.19CC..THydrogen-bonded Turntrans-91.4-2.7-176.900000113.5E294 L312 D313E294-A296 VanDerWaalsContact C-N 3.3Å; E294-A296 PolarHBondContact O-N 2.93Å; A296-L312 HydrophobicContact CB-CB 4.43Å; A296-L312 WeakPolarHBondContact O-CG 3.36Å; A296-L312 PolarHBondContact O-N 2.89Å; A296-D313 HydrophobicContact CB-CB 4.25Å
297V93Very high89Confident4 Ų430.6 Ų30.62%0.02418%0.179CC..EExtended strand (participates in β ladder)trans-105133.5-170.3-179.90000111.7S291 E294 W310 D311 L332 W364 W370S291-V297 WeakPolarHBondContact CB-O 3.5Å; S291-V297 PolarHBondContact N-O 2.97Å; E294-V297 HydrophobicContact CB-CB 3.73Å; E294-V297 HydrophobicContact CB-CG2 3.56Å; E294-V297 HydrophobicContact CG-CG2 4.25Å; E294-V297 PolarHBondContact O-N 3.06Å; V297-W310 CarbonylContact C-O 3.26Å; V297-W310 VanDerWaalsContact CA-O 3.26Å; V297-W310 WeakPolarHBondContact CA-O 3.33Å; V297-D311 HydrophobicContact CG2-CB 4.49Å; V297-L332 HydrophobicContact CG1-CD1 4.48Å; V297-L332 HydrophobicContact CG2-CD1 4.46Å; V297-W364 HydrophobicContact CG1-CH2 3.88Å; V297-W364 HydrophobicContact CG1-CZ2 4.11Å; V297-W370 HydrophobicContact CB-CH2 4.26Å; V297-W370 HydrophobicContact CG1-CH2 3.81Å; V297-W370 HydrophobicContact CG1-CZ3 3.89Å; V297-W370 HydrophobicContact CG2-CH2 3.53Å; V297-W370 HydrophobicContact CG2-CZ2 3.96Å; V297-W370 HydrophobicContact CG2-CZ3 4.44Å
298I93.2Very high88.8Confident11 Ų1129.2 Ų29.26%0.05617%0.174CC..EExtended strand (participates in β ladder)trans-135.8146178.2-169.2165000110.6A281 I288 W290 L309 W310A281-I298 HydrophobicContact CB-CD1 3.35Å; I288-I298 HydrophobicContact CD1-CD1 3.41Å; I288-I298 VanDerWaalsContact CD1-CD1 3.41Å; I288-I298 HydrophobicContact CD1-CG1 4.08Å; I288-I298 HydrophobicContact CG1-CD1 3.52Å; I288-I298 HydrophobicContact CG1-CG1 3.71Å; W290-I298 HydrophobicContact CD2-CB 4.2Å; W290-I298 HydrophobicContact CD2-CD1 3.82Å; W290-I298 HydrophobicContact CD2-CG1 4.2Å; W290-I298 HydrophobicContact CE3-CB 3.95Å; W290-I298 HydrophobicContact CE3-CD1 4.35Å; W290-I298 HydrophobicContact CE3-CG1 4.46Å; W290-I298 HydrophobicContact CG-CD1 4.15Å; W290-I298 HydrophobicContact CG-CG1 4.39Å; W290-I298 HydrophobicContact CZ2-CD1 4.06Å; W290-I298 HydrophobicContact CZ3-CB 4.3Å; I298-L309 CarbonylContact O-C 3.51Å; I298-L309 WeakPolarHBondContact O-CA 3.12Å; I298-W310 HydrophobicContact CG2-CB 3.73Å; I298-W310 HydrophobicContact CG2-CG 4.18Å; I298-W310 PolarHBondContact N-O 2.72Å; I298-W310 PolarHBondContact O-N 2.93Å
299A92.2Very high88.6Confident0 Ų027.9 Ų27.90%017%0.168CC..EExtended strand (participates in β ladder)trans-110143.9173.400000110.6I288 A289 A308 L309 F362 W364I288-A299 CarbonylContact C-O 3.44Å; I288-A299 VanDerWaalsContact CA-O 3.31Å; I288-A299 WeakPolarHBondContact CA-O 3.29Å; I288-A299 WeakPolarHBondContact CG1-O 3.36Å; A289-A299 PolarHBondContact N-O 3.34Å; A289-A299 PolarHBondContact O-N 3.18Å; A299-A308 CarbonylContact C-O 3.53Å; A299-A308 VanDerWaalsContact CA-O 3.25Å; A299-A308 WeakPolarHBondContact CA-O 3.45Å; A299-L309 HydrophobicContact CB-CD2 3.43Å; A299-L309 VanDerWaalsContact CB-CD2 3.43Å; A299-F362 HydrophobicContact CB-CD2 4.3Å; A299-F362 HydrophobicContact CB-CE2 3.37Å; A299-F362 HydrophobicContact CB-CZ 3.62Å; A299-W364 HydrophobicContact CB-CZ2 3.58Å
300S91.4Very high88.4Confident20 Ų2030.2 Ų30.214%0.1417%0.172CC..EExtended strand (participates in β ladder)trans-133.2148.317270.40000111.9K287 V307 A308 W310K287-S300 CarbonylContact O-C 3.58Å; K287-S300 WeakPolarHBondContact O-CA 3.46Å; S300-V307 CarbonylContact O-C 3.51Å; S300-V307 WeakPolarHBondContact O-CA 3.49Å; S300-A308 PolarHBondContact N-O 3.07Å; S300-A308 PolarHBondContact O-N 2.93Å; S300-W310 PolarHBondContact OG-NE1 3.03Å
301R89.4Confident88.1Confident21 Ų2130.8 Ų30.88%0.07918%0.176CC..EExtended strand (participates in β ladder)trans-110.4125.7175.2-172.2178.66967.9-13.2110D286 K287 V359 Y360 F362D286-R301 VanDerWaalsContact CB-NH1 3.35Å; D286-R301 IonicContact OD2-CZ 2.78Å; D286-R301 IonicContact OD2-NH1 3.89Å; D286-R301 PolarHBondContact OD2-NH1 3.36Å; D286-R301 IonicContact OD2-NH2 3.16Å; D286-R301 PolarHBondContact OD2-NH2 3.39Å; K287-R301 HydrophobicContact CB-CB 4.14Å; K287-R301 PolarHBondContact O-N 3.26Å; R301-V359 VanDerWaalsContact CD-O 3.27Å; R301-V359 WeakPolarHBondContact CD-O 3.14Å; R301-V359 HydrophobicContact CG-CB 4.14Å; R301-V359 HydrophobicContact CG-CG1 4.18Å; R301-V359 VanDerWaalsContact CZ-O 3.24Å; R301-V359 PolarHBondContact NE-O 2.81Å; R301-V359 PolarHBondContact NH1-O 2.92Å; R301-Y360 VanDerWaalsContact NE-C 3.32Å; R301-Y360 PolarHBondContact NE-O 3.32Å; R301-Y360 PolarHBondContact NH2-O 3.12Å; R301-F362 HydrophobicContact CB-CD1 3.79Å; R301-F362 HydrophobicContact CB-CE1 3.76Å
302G78.5Confident87.9Confident22 Ų2233.9 Ų33.923%0.22719%0.192CC..  trans-79.9-179.5173.100000112.8G304 T306G302-G304 PolarHBondContact O-N 3.13Å; G302-T306 PolarHBondContact N-O 2.6Å; G302-T306 VanDerWaalsContact N-O 3.11Å
303T75.6Confident87.6Confident104 Ų10437.9 Ų37.964%0.63821%0.212SC*.SBendtrans-75.1-10.1173.150.30000113.5R358T303-R358 VanDerWaalsContact O-CD 3.23Å; T303-R358 WeakPolarHBondContact O-CD 3.41Å; T303-R358 WeakPolarHBondContact O-CG 3.25Å; T303-R358 PolarHBondContact O-NE 2.91Å
304G76.9Confident87.3Confident31 Ų3138.3 Ų38.332%0.3221%0.211SC..SBendtrans-101.5-150.1179.900000113.9G302 T306 R358 V359G302-G304 PolarHBondContact O-N 3.13Å; G304-T306 PolarHBondContact O-N 3.15Å; G304-R358 WeakPolarHBondContact O-CA 3.38Å; G304-V359 PolarHBondContact O-N 2.91Å; G304-V359 VanDerWaalsContact O-N 3.1Å
305S74.6Confident87Confident22 Ų2238.7 Ų38.715%0.15422%0.215CC..SBendtrans-83.221.2179.5510000113.8H355 N357S305-H355 WeakPolarHBondContact CB-O 3.25Å; S305-N357 WeakPolarHBondContact CA-O 3.38Å; S305-N357 WeakPolarHBondContact CB-O 3.25Å
306T77Confident86.8Confident29 Ų2940.7 Ų40.718%0.17823%0.229CC..  trans-118.1130.6-163.569.50000113.2G302 G304 L335G302-T306 PolarHBondContact N-O 2.6Å; G302-T306 VanDerWaalsContact N-O 3.11Å; G304-T306 PolarHBondContact O-N 3.15Å; T306-L335 WeakPolarHBondContact CA-O 3.38Å; T306-L335 WeakPolarHBondContact CB-O 3.4Å; T306-L335 WeakPolarHBondContact CG2-O 3.32Å
307V85.7Confident86.5Confident0 Ų046.1 Ų46.10%025%0.246CC..EExtended strand (participates in β ladder)trans-111.5126.8159.4-176.20000106.9S300 L335 V359 F362 W383S300-V307 CarbonylContact O-C 3.51Å; S300-V307 WeakPolarHBondContact O-CA 3.49Å; V307-L335 HydrophobicContact CB-CD1 3.69Å; V307-L335 HydrophobicContact CB-CG 4.18Å; V307-L335 HydrophobicContact CG2-CD1 3.99Å; V307-L335 WeakPolarHBondContact O-CB 3.37Å; V307-L335 WeakPolarHBondContact O-CG 3.48Å; V307-L335 PolarHBondContact O-N 3.39Å; V307-V359 HydrophobicContact CG2-CG1 4.07Å; V307-V359 HydrophobicContact CG2-CG2 4.48Å; V307-F362 HydrophobicContact CG1-CD1 4.38Å; V307-F362 HydrophobicContact CG1-CD2 4.4Å; V307-F362 HydrophobicContact CG1-CG 4.23Å; V307-F362 HydrophobicContact CG2-CB 4.25Å; V307-F362 HydrophobicContact CG2-CD1 4.44Å; V307-F362 HydrophobicContact CG2-CG 4.43Å; V307-W383 HydrophobicContact CB-CZ2 4.38Å; V307-W383 HydrophobicContact CG1-CH2 4.46Å; V307-W383 HydrophobicContact CG1-CZ2 4.28Å
308A86.3Confident86.3Confident6 Ų655.2 Ų55.25%0.0529%0.289CS..EExtended strand (participates in β ladder)trans-112.1139.7177.500000110.1A299 S300 W310 L331 V333 K334A299-A308 CarbonylContact C-O 3.53Å; A299-A308 VanDerWaalsContact CA-O 3.25Å; A299-A308 WeakPolarHBondContact CA-O 3.45Å; S300-A308 PolarHBondContact N-O 3.07Å; S300-A308 PolarHBondContact O-N 2.93Å; A308-W310 HydrophobicContact CB-CZ2 3.7Å; A308-W310 PolarHBondContact O-NE1 3.43Å; A308-L331 HydrophobicContact CB-CD1 3.98Å; A308-V333 CarbonylContact C-O 3.59Å; A308-V333 VanDerWaalsContact CA-O 3.31Å; A308-V333 WeakPolarHBondContact CA-O 3.4Å; A308-K334 HydrophobicContact CB-CG 4.34Å
309L89.6Confident85.9Confident0 Ų057.3 Ų57.30%030%0.298CS..EExtended strand (participates in β ladder)trans-109.1135.3174.1-57.3-176.4000109I298 A299 L332 V333 W364 W370 I372 W383 V385I298-L309 CarbonylContact O-C 3.51Å; I298-L309 WeakPolarHBondContact O-CA 3.12Å; A299-L309 HydrophobicContact CB-CD2 3.43Å; A299-L309 VanDerWaalsContact CB-CD2 3.43Å; L309-L332 HydrophobicContact CB-CB 4.18Å; L309-L332 PolarHBondContact O-N 3.12Å; L309-V333 HydrophobicContact CB-CB 4.01Å; L309-V333 HydrophobicContact CB-CG2 4.41Å; L309-V333 HydrophobicContact CD1-CB 3.94Å; L309-V333 HydrophobicContact CD1-CG2 3.86Å; L309-V333 HydrophobicContact CG-CB 4.04Å; L309-V333 HydrophobicContact CG-CG2 4.46Å; L309-V333 PolarHBondContact N-O 2.95Å; L309-V333 PolarHBondContact O-N 2.9Å; L309-W364 HydrophobicContact CD1-CH2 4.27Å; L309-W364 HydrophobicContact CD2-CH2 3.68Å; L309-W364 HydrophobicContact CD2-CZ2 3.68Å; L309-W370 HydrophobicContact CD1-CZ3 4.5Å; L309-I372 HydrophobicContact CD1-CD1 4.02Å; L309-I372 HydrophobicContact CD2-CD1 3.75Å; L309-I372 HydrophobicContact CG-CD1 4.46Å; L309-W383 HydrophobicContact CD1-CH2 4.11Å; L309-W383 HydrophobicContact CD1-CZ3 3.95Å; L309-W383 HydrophobicContact CD2-CH2 4.48Å; L309-W383 HydrophobicContact CG-CH2 4.36Å; L309-V385 HydrophobicContact CD1-CG2 3.63Å
310W90.1Very high85.8Confident66 Ų6660.4 Ų60.425%0.2532%0.317CS..EExtended strand (participates in β ladder)trans-127.3136.4-175.2-41.979.3000109.3V297 I298 S300 A308 P328 E330 L331V297-W310 CarbonylContact C-O 3.26Å; V297-W310 VanDerWaalsContact CA-O 3.26Å; V297-W310 WeakPolarHBondContact CA-O 3.33Å; I298-W310 HydrophobicContact CG2-CB 3.73Å; I298-W310 HydrophobicContact CG2-CG 4.18Å; I298-W310 PolarHBondContact N-O 2.72Å; I298-W310 PolarHBondContact O-N 2.93Å; S300-W310 PolarHBondContact OG-NE1 3.03Å; A308-W310 HydrophobicContact CB-CZ2 3.7Å; A308-W310 PolarHBondContact O-NE1 3.43Å; W310-P328 HydrophobicContact CZ3-CG 4.13Å; W310-E330 CarbonylContact C-O 3.53Å; W310-E330 WeakPolarHBondContact CA-O 3.39Å; W310-E330 HydrophobicContact CE3-CG 4.14Å; W310-L331 HydrophobicContact CD2-CD1 4.07Å; W310-L331 HydrophobicContact CE3-CB 4.17Å; W310-L331 HydrophobicContact CE3-CD1 3.84Å; W310-L331 HydrophobicContact CH2-CD1 3.91Å; W310-L331 HydrophobicContact CZ2-CD1 4.11Å; W310-L331 HydrophobicContact CZ3-CB 4.14Å; W310-L331 HydrophobicContact CZ3-CD1 3.77Å; W310-L331 HydrophobicContact CZ3-CG 4.44Å
311D90Very high85.5Confident22 Ų2264.5 Ų64.512%0.11834%0.343CS..EExtended strand (participates in β ladder)trans-118107.3176.6174.18.4000109.6V297 D313 R314 E330 L332V297-D311 HydrophobicContact CG2-CB 4.49Å; D311-D313 PolarHBondContact O-N 3.25Å; D311-D313 WeakPolarHBondContact OD1-CB 3.34Å; D311-D313 PolarHBondContact OD1-N 2.91Å; D311-R314 HydrophobicContact CB-CG 3.94Å; D311-R314 WeakPolarHBondContact O-CB 3.4Å; D311-R314 PolarHBondContact O-N 2.97Å; D311-R314 VanDerWaalsContact O-N 3.1Å; D311-R314 VanDerWaalsContact OD2-CG 3.25Å; D311-R314 WeakPolarHBondContact OD2-CG 3.47Å; D311-R314 IonicContact OD2-CZ 3.62Å; D311-R314 IonicContact OD2-NE 2.92Å; D311-R314 PolarHBondContact OD2-NE 3.12Å; D311-E330 PolarHBondContact N-O 2.81Å; D311-E330 WeakPolarHBondContact O-CA 3.35Å; D311-E330 VanDerWaalsContact O-CB 3.22Å; D311-E330 WeakPolarHBondContact O-CB 3.44Å; D311-L332 HydrophobicContact CB-CD1 3.6Å; D311-L332 HydrophobicContact CB-CD2 3.56Å; D311-L332 HydrophobicContact CB-CG 3.4Å; D311-L332 VanDerWaalsContact CB-CG 3.4Å
312L90.9Very high85.2Confident66 Ų6669.3 Ų69.335%0.34637%0.367SS..G310 helixtrans-70.7-17.6-174.3-56.2178.6000112.9W290 A296 R314 I315W290-L312 HydrophobicContact CH2-CD1 3.23Å; W290-L312 HydrophobicContact CZ2-CD1 4.31Å; W290-L312 HydrophobicContact CZ3-CD1 3.63Å; A296-L312 HydrophobicContact CB-CB 4.43Å; A296-L312 WeakPolarHBondContact O-CG 3.36Å; A296-L312 PolarHBondContact O-N 2.89Å; L312-R314 PolarHBondContact O-N 2.91Å; L312-R314 VanDerWaalsContact O-N 3.17Å; L312-I315 HydrophobicContact CB-CD1 3.99Å; L312-I315 HydrophobicContact CD2-CD1 3.74Å; L312-I315 HydrophobicContact CG-CD1 4.42Å; L312-I315 WeakPolarHBondContact O-CB 3.36Å; L312-I315 WeakPolarHBondContact O-CG1 3.47Å; L312-I315 PolarHBondContact O-N 2.79Å
313D90.4Very high85.1Confident121 Ų12170.6 Ų70.665%0.64737%0.367SS*.G310 helixtrans-72.3-2.7172.9-73.8-19.6000112.4A296 D311 R317A296-D313 HydrophobicContact CB-CB 4.25Å; D311-D313 PolarHBondContact O-N 3.25Å; D311-D313 WeakPolarHBondContact OD1-CB 3.34Å; D311-D313 PolarHBondContact OD1-N 2.91Å; D313-R317 PolarHBondContact O-NE 3.41Å; D313-R317 PolarHBondContact O-NH2 3.32Å; D313-R317 VanDerWaalsContact O-NH2 3.15Å
314R87.7Confident85.4Confident61 Ų6168.3 Ų68.323%0.2336%0.358CS..G310 helixtrans-103.2-3.3173.8-41.5-165.8169.6-164.5-1114.4D311 L312 N316 R317 P329 L332D311-R314 HydrophobicContact CB-CG 3.94Å; D311-R314 WeakPolarHBondContact O-CB 3.4Å; D311-R314 PolarHBondContact O-N 2.97Å; D311-R314 VanDerWaalsContact O-N 3.1Å; D311-R314 VanDerWaalsContact OD2-CG 3.25Å; D311-R314 WeakPolarHBondContact OD2-CG 3.47Å; D311-R314 IonicContact OD2-CZ 3.62Å; D311-R314 IonicContact OD2-NE 2.92Å; D311-R314 PolarHBondContact OD2-NE 3.12Å; L312-R314 PolarHBondContact O-N 2.91Å; L312-R314 VanDerWaalsContact O-N 3.17Å; R314-N316 PolarHBondContact O-N 3.31Å; R314-R317 HydrophobicContact CB-CG 4.25Å; R314-R317 WeakPolarHBondContact O-CB 3.43Å; R314-R317 WeakPolarHBondContact O-CG 3.5Å; R314-R317 PolarHBondContact O-N 3.4Å; R314-P329 WeakPolarHBondContact CB-O 3.18Å; R314-P329 VanDerWaalsContact CD-O 3.25Å; R314-P329 WeakPolarHBondContact CD-O 3.34Å; R314-P329 WeakPolarHBondContact O-CB 3.33Å; R314-P329 WeakPolarHBondContact O-CG 3.41Å; R314-L332 VanDerWaalsContact NE-CD2 3.25Å
315I87.5Confident85.5Confident82 Ų8270.9 Ų70.942%0.42137%0.371SS..THydrogen-bonded Turntrans-55.5133174.9-67.1171.9000108.9L312 R317 E330L312-I315 HydrophobicContact CB-CD1 3.99Å; L312-I315 HydrophobicContact CD2-CD1 3.74Å; L312-I315 HydrophobicContact CG-CD1 4.42Å; L312-I315 WeakPolarHBondContact O-CB 3.36Å; L312-I315 WeakPolarHBondContact O-CG1 3.47Å; L312-I315 PolarHBondContact O-N 2.79Å; I315-R317 VanDerWaalsContact C-N 3.27Å; I315-R317 PolarHBondContact O-N 2.71Å; I315-E330 HydrophobicContact CG1-CB 4.03Å; I315-E330 HydrophobicContact CG1-CG 4.35Å
316N88.2Confident85.5Confident152 Ų15272.4 Ų72.481%0.81338%0.376SS*.THydrogen-bonded Turntrans65.913.1-176.1-52.8-47.5000116.2R314R314-N316 PolarHBondContact O-N 3.31Å
317R89Confident85.6Confident129 Ų12971.8 Ų71.849%0.48738%0.375SS..  trans-63.8138.9166.8-72.4-174.4-171.2176.87.7109.7D313 R314 I315 P329D313-R317 PolarHBondContact O-NE 3.41Å; D313-R317 PolarHBondContact O-NH2 3.32Å; D313-R317 VanDerWaalsContact O-NH2 3.15Å; R314-R317 HydrophobicContact CB-CG 4.25Å; R314-R317 WeakPolarHBondContact O-CB 3.43Å; R314-R317 WeakPolarHBondContact O-CG 3.5Å; R314-R317 PolarHBondContact O-N 3.4Å; I315-R317 VanDerWaalsContact C-N 3.27Å; I315-R317 PolarHBondContact O-N 2.71Å; R317-P329 HydrophobicContact CB-CB 4.04Å
318Q88.4Confident85.6Confident195 Ų19574.3 Ų74.391%0.91139%0.391SS*.  trans-68.9135175.2-69.2-177-17.600109.6
319Q85.2Confident85.5Confident55 Ų5574.7 Ų74.726%0.25739%0.394SS..  trans-117.4148.6175.9-71.5178.3-69.500109.9E323 A324 G327 P329Q319-E323 WeakPolarHBondContact CA-OE2 3.31Å; Q319-E323 HydrophobicContact CB-CB 3.9Å; Q319-E323 HydrophobicContact CG-CB 4.11Å; Q319-E323 PolarHBondContact NE2-O 3.07Å; Q319-A324 HydrophobicContact CB-CB 4.23Å; Q319-G327 PolarHBondContact NE2-O 3.33Å; Q319-G327 PolarHBondContact OE1-O 2.84Å; Q319-P329 HydrophobicContact CG-CB 3.93Å
320T88.4Confident85.3Confident65 Ų6576.9 Ų76.940%0.39940%0.404SS..  trans-66.1157.8160.359.10000110.3E322 E323 A324T320-E322 PolarHBondContact O-N 2.97Å; T320-E323 PolarHBondContact N-OE2 2.94Å; T320-E323 PolarHBondContact O-N 3.16Å; T320-E323 WeakPolarHBondContact OG1-CB 3.48Å; T320-E323 VanDerWaalsContact OG1-CD 3.26Å; T320-E323 WeakPolarHBondContact OG1-CG 3.49Å; T320-E323 PolarHBondContact OG1-N 3.46Å; T320-E323 PolarHBondContact OG1-OE2 2.87Å; T320-A324 WeakPolarHBondContact O-CB 3.24Å; T320-A324 PolarHBondContact O-N 3Å
321P86.5Confident84.8Confident105 Ų10574.4 Ų74.468%0.68240%0.395SS*.Hα-helixtrans-55.7-33.8174.4-26.235.8000113.5S325P321-S325 PolarHBondContact O-N 2.95Å
322E82.4Confident83.9Confident123 Ų12374 Ų7458%0.57539%0.393SS*.Hα-helixtrans-65.1-51.9176.3-64.873.9-161.900110.9T320 A324 S325T320-E322 PolarHBondContact O-N 2.97Å; E322-A324 VanDerWaalsContact C-N 3.35Å; E322-A324 PolarHBondContact O-N 3.35Å; E322-S325 WeakPolarHBondContact O-CB 3.36Å; E322-S325 PolarHBondContact O-N 2.98Å; E322-S325 VanDerWaalsContact O-N 3.1Å; E322-S325 PolarHBondContact O-OG 3.32Å
323E76.9Confident82.5Confident49 Ų4970.9 Ų70.923%0.22938%0.377CS..Hα-helixtrans-60.5-42.5176.8-73.5166145.400112.3Q319 T320 S325 E326 G327 S348Q319-E323 WeakPolarHBondContact CA-OE2 3.31Å; Q319-E323 HydrophobicContact CB-CB 3.9Å; Q319-E323 HydrophobicContact CG-CB 4.11Å; Q319-E323 PolarHBondContact NE2-O 3.07Å; T320-E323 PolarHBondContact N-OE2 2.94Å; T320-E323 PolarHBondContact O-N 3.16Å; T320-E323 WeakPolarHBondContact OG1-CB 3.48Å; T320-E323 VanDerWaalsContact OG1-CD 3.26Å; T320-E323 WeakPolarHBondContact OG1-CG 3.49Å; T320-E323 PolarHBondContact OG1-N 3.46Å; T320-E323 PolarHBondContact OG1-OE2 2.87Å; E323-S325 PolarHBondContact O-N 2.93Å; E323-E326 PolarHBondContact O-N 3.45Å; E323-G327 PolarHBondContact O-N 2.76Å; E323-S348 WeakPolarHBondContact CG-OG 3.48Å; E323-S348 PolarHBondContact OE1-OG 3.14Å
324A81Confident80.9Confident56 Ų5667.8 Ų67.846%0.46336%0.358SS..Hα-helixtrans-64.7-22.817900000112.6Q319 T320 E322 E326Q319-A324 HydrophobicContact CB-CB 4.23Å; T320-A324 WeakPolarHBondContact O-CB 3.24Å; T320-A324 PolarHBondContact O-N 3Å; E322-A324 VanDerWaalsContact C-N 3.35Å; E322-A324 PolarHBondContact O-N 3.35Å; A324-E326 VanDerWaalsContact C-N 3.32Å
325S80.3Confident79.2Confident84 Ų8465 Ų6559%0.58735%0.347SS*.Hα-helixtrans-75.1-23.2174.381.30000112.9P321 E322 E323P321-S325 PolarHBondContact O-N 2.95Å; E322-S325 WeakPolarHBondContact O-CB 3.36Å; E322-S325 PolarHBondContact O-N 2.98Å; E322-S325 VanDerWaalsContact O-N 3.1Å; E322-S325 PolarHBondContact O-OG 3.32Å; E323-S325 PolarHBondContact O-N 2.93Å
326E73.8Confident77.2Confident55 Ų5563.4 Ų63.426%0.25734%0.336SS..Hα-helixtrans-86.4-29.6-179.2-63.1-176.5176.200112.3E323 A324 L341 S344E323-E326 PolarHBondContact O-N 3.45Å; A324-E326 VanDerWaalsContact C-N 3.32Å; E326-L341 HydrophobicContact CB-CD2 4.44Å; E326-S344 PolarHBondContact OE1-OG 2.8Å
327G80.2Confident75Confident15 Ų1557.3 Ų57.316%0.15530%0.303CS..  trans162.7178.117500000113.2Q319 E323Q319-G327 PolarHBondContact NE2-O 3.33Å; Q319-G327 PolarHBondContact OE1-O 2.84Å; E323-G327 PolarHBondContact O-N 2.76Å
328P85.1Confident72.3Confident53 Ų5358.2 Ų58.234%0.34431%0.312SS..  trans-67.5156.7172.733.3-36.8000110.7W310 E330 L331W310-P328 HydrophobicContact CZ3-CG 4.13Å; P328-E330 PolarHBondContact O-N 3.13Å; P328-E330 VanDerWaalsContact O-N 3.16Å; P328-L331 HydrophobicContact CG-CB 4.2Å; P328-L331 WeakPolarHBondContact O-CB 3.34Å; P328-L331 PolarHBondContact O-N 3.11Å
329P83.2Confident69.8Low15 Ų1555.9 Ų55.910%0.09730%0.296CS..THydrogen-bonded Turntrans-66.1-23.3-169.626-32.5000114.3R314 R317 Q319 L331R314-P329 WeakPolarHBondContact CB-O 3.18Å; R314-P329 VanDerWaalsContact CD-O 3.25Å; R314-P329 WeakPolarHBondContact CD-O 3.34Å; R314-P329 WeakPolarHBondContact O-CB 3.33Å; R314-P329 WeakPolarHBondContact O-CG 3.41Å; R317-P329 HydrophobicContact CB-CB 4.04Å; Q319-P329 HydrophobicContact CG-CB 3.93Å; P329-L331 VanDerWaalsContact C-N 3.34Å
330E85.3Confident67.4Low46 Ų4657 Ų5722%0.21531%0.314CS..THydrogen-bonded Turntrans-76-13.5175.165.6-88.4-162.700114.7W310 D311 I315 P328 L332W310-E330 CarbonylContact C-O 3.53Å; W310-E330 WeakPolarHBondContact CA-O 3.39Å; W310-E330 HydrophobicContact CE3-CG 4.14Å; D311-E330 PolarHBondContact N-O 2.81Å; D311-E330 WeakPolarHBondContact O-CA 3.35Å; D311-E330 VanDerWaalsContact O-CB 3.22Å; D311-E330 WeakPolarHBondContact O-CB 3.44Å; I315-E330 HydrophobicContact CG1-CB 4.03Å; I315-E330 HydrophobicContact CG1-CG 4.35Å; P328-E330 PolarHBondContact O-N 3.13Å; P328-E330 VanDerWaalsContact O-N 3.16Å; E330-L332 PolarHBondContact O-N 3.36Å; E330-L332 VanDerWaalsContact O-N 3.14Å
331L81Confident64.9Low13 Ų1357.1 Ų57.17%0.06831%0.312CS..EExtended strand (participates in β ladder)trans-75.1105.5178.1-177.262.6000110A308 W310 P328 P329 K334 Q349A308-L331 HydrophobicContact CB-CD1 3.98Å; W310-L331 HydrophobicContact CD2-CD1 4.07Å; W310-L331 HydrophobicContact CE3-CB 4.17Å; W310-L331 HydrophobicContact CE3-CD1 3.84Å; W310-L331 HydrophobicContact CH2-CD1 3.91Å; W310-L331 HydrophobicContact CZ2-CD1 4.11Å; W310-L331 HydrophobicContact CZ3-CB 4.14Å; W310-L331 HydrophobicContact CZ3-CD1 3.77Å; W310-L331 HydrophobicContact CZ3-CG 4.44Å; P328-L331 HydrophobicContact CG-CB 4.2Å; P328-L331 WeakPolarHBondContact O-CB 3.34Å; P328-L331 PolarHBondContact O-N 3.11Å; P329-L331 VanDerWaalsContact C-N 3.34Å; L331-K334 HydrophobicContact CD1-CB 4.13Å; L331-K334 HydrophobicContact CD1-CD 4.39Å; L331-K334 HydrophobicContact CD2-CB 4.1Å; L331-K334 HydrophobicContact CD2-CD 3.87Å; L331-K334 HydrophobicContact CG-CB 4.35Å; L331-Q349 PolarHBondContact O-OE1 2.87Å
332L69.7Low62.6Low14 Ų1455.8 Ų55.87%0.07330%0.304CS..EExtended strand (participates in β ladder)trans-76.4-57.9179.4-73.9-174.3000112.5V297 L309 D311 R314 E330 F350 W370V297-L332 HydrophobicContact CG1-CD1 4.48Å; V297-L332 HydrophobicContact CG2-CD1 4.46Å; L309-L332 HydrophobicContact CB-CB 4.18Å; L309-L332 PolarHBondContact O-N 3.12Å; D311-L332 HydrophobicContact CB-CD1 3.6Å; D311-L332 HydrophobicContact CB-CD2 3.56Å; D311-L332 HydrophobicContact CB-CG 3.4Å; D311-L332 VanDerWaalsContact CB-CG 3.4Å; R314-L332 VanDerWaalsContact NE-CD2 3.25Å; E330-L332 PolarHBondContact O-N 3.36Å; E330-L332 VanDerWaalsContact O-N 3.14Å; L332-F350 WeakPolarHBondContact O-CB 3.08Å; L332-F350 PolarHBondContact O-N 3.43Å; L332-W370 HydrophobicContact CD1-CH2 3.48Å; L332-W370 VanDerWaalsContact CD1-CH2 3.48Å; L332-W370 HydrophobicContact CD1-CZ3 3.69Å
333V62.8Low60.5Low1 Ų156.6 Ų56.61%0.00631%0.312CS..EExtended strand (participates in β ladder)trans-133.2128-174.3-1780000106.6A308 L309 F350 Q352 V385A308-V333 CarbonylContact C-O 3.59Å; A308-V333 VanDerWaalsContact CA-O 3.31Å; A308-V333 WeakPolarHBondContact CA-O 3.4Å; L309-V333 HydrophobicContact CB-CB 4.01Å; L309-V333 HydrophobicContact CB-CG2 4.41Å; L309-V333 HydrophobicContact CD1-CB 3.94Å; L309-V333 HydrophobicContact CD1-CG2 3.86Å; L309-V333 HydrophobicContact CG-CB 4.04Å; L309-V333 HydrophobicContact CG-CG2 4.46Å; L309-V333 PolarHBondContact N-O 2.95Å; L309-V333 PolarHBondContact O-N 2.9Å; V333-F350 CarbonylContact C-O 3.55Å; V333-F350 WeakPolarHBondContact CA-O 3.32Å; V333-F350 HydrophobicContact CB-CB 3.97Å; V333-F350 HydrophobicContact CG1-CB 4.03Å; V333-F350 HydrophobicContact CG2-CB 3.45Å; V333-F350 VanDerWaalsContact CG2-CB 3.45Å; V333-F350 HydrophobicContact CG2-CG 4.09Å; V333-Q352 HydrophobicContact CG1-CB 4.04Å; V333-V385 HydrophobicContact CG2-CG1 3.59Å; V333-V385 HydrophobicContact CG2-CG2 4.36Å
334K55.5Low58.5Low56 Ų5657.5 Ų57.524%0.24332%0.324CS..EExtended strand (participates in β ladder)trans-117.6118.3164.7-170.3155.8164.6-163.80109.3A308 L331 Y336 F350 V351 Q352A308-K334 HydrophobicContact CB-CG 4.34Å; L331-K334 HydrophobicContact CD1-CB 4.13Å; L331-K334 HydrophobicContact CD1-CD 4.39Å; L331-K334 HydrophobicContact CD2-CB 4.1Å; L331-K334 HydrophobicContact CD2-CD 3.87Å; L331-K334 HydrophobicContact CG-CB 4.35Å; K334-Y336 HydrophobicContact CB-CD2 3.66Å; K334-Y336 HydrophobicContact CB-CE2 3.45Å; K334-Y336 VanDerWaalsContact CB-CE2 3.45Å; K334-Y336 HydrophobicContact CD-CD2 4.08Å; K334-Y336 HydrophobicContact CD-CE1 3.84Å; K334-Y336 HydrophobicContact CD-CE2 3.37Å; K334-Y336 VanDerWaalsContact CD-OH 3.32Å; K334-Y336 WeakPolarHBondContact CD-OH 3.36Å; K334-Y336 VanDerWaalsContact CE-OH 3.28Å; K334-Y336 WeakPolarHBondContact CE-OH 3.45Å; K334-Y336 HydrophobicContact CG-CD1 4.4Å; K334-Y336 HydrophobicContact CG-CD2 3.57Å; K334-Y336 HydrophobicContact CG-CE1 4.2Å; K334-Y336 HydrophobicContact CG-CE2 3.37Å; K334-Y336 HydrophobicContact CG-CG 4.13Å; K334-Y336 VanDerWaalsContact NZ-CZ 3.25Å; K334-Y336 PolarHBondContact NZ-OH 3.16Å; K334-Y336 PolarHBondContact O-N 2.67Å; K334-Y336 VanDerWaalsContact O-N 3.16Å; K334-F350 PolarHBondContact N-O 2.98Å; K334-V351 VanDerWaalsContact O-CA 3.24Å; K334-V351 WeakPolarHBondContact O-CA 3.27Å; K334-V351 WeakPolarHBondContact O-CG1 3.3Å; K334-Q352 PolarHBondContact O-N 2.97Å
335L52.4Low56.1Low2 Ų260.8 Ų60.81%0.0134%0.338CS..EExtended strand (participates in β ladder)trans-66115.6168.1-61.9-178000108T306 V307 Q352 W383T306-L335 WeakPolarHBondContact CA-O 3.38Å; T306-L335 WeakPolarHBondContact CB-O 3.4Å; T306-L335 WeakPolarHBondContact CG2-O 3.32Å; V307-L335 HydrophobicContact CB-CD1 3.69Å; V307-L335 HydrophobicContact CB-CG 4.18Å; V307-L335 HydrophobicContact CG2-CD1 3.99Å; V307-L335 WeakPolarHBondContact O-CB 3.37Å; V307-L335 WeakPolarHBondContact O-CG 3.48Å; V307-L335 PolarHBondContact O-N 3.39Å; L335-Q352 CarbonylContact C-O 3.55Å; L335-Q352 WeakPolarHBondContact CA-O 3.06Å; L335-Q352 HydrophobicContact CD2-CB 3.17Å; L335-Q352 HydrophobicContact CD2-CG 3.21Å; L335-W383 HydrophobicContact CD1-CH2 4.41Å; L335-W383 HydrophobicContact CD1-CZ2 3.87Å; L335-W383 HydrophobicContact CG-CZ2 4.47Å
336Y45.5Very low53.7Low48 Ų4863 Ų6319%0.18835%0.347CS..  trans-119.4138.6177.1-80.1-81.4000110.8K334 V351 Q352K334-Y336 HydrophobicContact CB-CD2 3.66Å; K334-Y336 HydrophobicContact CB-CE2 3.45Å; K334-Y336 VanDerWaalsContact CB-CE2 3.45Å; K334-Y336 HydrophobicContact CD-CD2 4.08Å; K334-Y336 HydrophobicContact CD-CE1 3.84Å; K334-Y336 HydrophobicContact CD-CE2 3.37Å; K334-Y336 VanDerWaalsContact CD-OH 3.32Å; K334-Y336 WeakPolarHBondContact CD-OH 3.36Å; K334-Y336 VanDerWaalsContact CE-OH 3.28Å; K334-Y336 WeakPolarHBondContact CE-OH 3.45Å; K334-Y336 HydrophobicContact CG-CD1 4.4Å; K334-Y336 HydrophobicContact CG-CD2 3.57Å; K334-Y336 HydrophobicContact CG-CE1 4.2Å; K334-Y336 HydrophobicContact CG-CE2 3.37Å; K334-Y336 HydrophobicContact CG-CG 4.13Å; K334-Y336 VanDerWaalsContact NZ-CZ 3.25Å; K334-Y336 PolarHBondContact NZ-OH 3.16Å; K334-Y336 PolarHBondContact O-N 2.67Å; K334-Y336 VanDerWaalsContact O-N 3.16Å; Y336-V351 HydrophobicContact CD2-CB 4.32Å; Y336-V351 HydrophobicContact CD2-CG1 3.65Å; Y336-V351 HydrophobicContact CD2-CG2 3.76Å; Y336-V351 HydrophobicContact CE2-CG2 4.05Å; Y336-V351 HydrophobicContact CG-CG1 4.22Å; Y336-Q352 PolarHBondContact N-O 2.87Å
337F41.7Very low51.5Low25 Ų2564.6 Ų64.611%0.1137%0.37CS..  trans-123.769.4150.7-77.2-88.9000108.4S11 V12 G353 G354 H355S11-F337 WeakPolarHBondContact OG-CD1 3.1Å; V12-F337 HydrophobicContact CB-CE1 4.1Å; V12-F337 HydrophobicContact CG2-CD1 4.11Å; V12-F337 HydrophobicContact CG2-CE1 3.33Å; V12-F337 HydrophobicContact CG2-CZ 4.02Å; F337-G353 WeakPolarHBondContact CZ-O 3.23Å; F337-G354 VanDerWaalsContact CE2-C 3.42Å; F337-G354 VanDerWaalsContact CE2-N 3.32Å; F337-H355 WeakPolarHBondContact CD2-O 3.36Å; F337-H355 VanDerWaalsContact CE2-C 3.45Å; F337-H355 WeakPolarHBondContact CE2-O 3.42Å
338H33.8Very low49.1Very low147 Ų14766 Ų6668%0.68138%0.377SS*.  trans-146.7124.3168.5-150.9-77.8000111.2A340H338-A340 PolarHBondContact O-N 2.76Å
339Y36Very low46.9Very low146 Ų14666.4 Ų66.457%0.57338%0.375SS*.THydrogen-bonded Turntrans-59.9-5.7-165.1-160-102.7000116.7
340A34Very low44.7Very low78 Ų7868.4 Ų68.465%0.64538%0.382SS*.THydrogen-bonded Turntrans-92.3-15.5-165.700000115.4H338H338-A340 PolarHBondContact O-N 2.76Å
341L35.1Very low42.8Very low69 Ų6968.4 Ų68.436%0.36139%0.385SS..SBendtrans-113.4-10.8-175.2-10980.7000115.7E326 L343E326-L341 HydrophobicContact CB-CD2 4.44Å; L341-L343 VanDerWaalsContact C-N 3.31Å; L341-L343 PolarHBondContact O-N 3.24Å
342C39.2Very low41Very low76 Ų7667.9 Ų67.951%0.51438%0.382SS..THydrogen-bonded Turntrans-84.77.1-176.6-94.40000115.3
343L37.7Very low40.2Very low140 Ų14067.2 Ų67.273%0.73338%0.379SS*.THydrogen-bonded Turntrans-93.41.2-179.5-82.7158.9000114.1L341L341-L343 VanDerWaalsContact C-N 3.31Å; L341-L343 PolarHBondContact O-N 3.24Å
344S35Very low40.3Very low69 Ų6967.5 Ų67.548%0.48338%0.382SS..  trans-94.3111.5170.4174.40000109.5E326E326-S344 PolarHBondContact OE1-OG 2.8Å
345V31.1Very low41.3Very low125 Ų12564.9 Ų64.976%0.75837%0.371SS*.  trans-94.6136.3-178.5-179.40000107.9
346V30.4Very low42.2Very low129 Ų12969.9 Ų69.978%0.78239%0.393SS*.SBendtrans90.8104.1167.9-153.30000117.4
347A27.3Very low43.8Very low89 Ų8970.3 Ų70.374%0.73640%0.398SS*.SBendtrans6980.9150.600000118.4
348S30.3Very low46Very low44 Ų4474.4 Ų74.431%0.30841%0.413SS..SBend168.7142.1111.757.30000110.4E323E323-S348 WeakPolarHBondContact CG-OG 3.48Å; E323-S348 PolarHBondContact OE1-OG 3.14Å
349Q38Very low48.6Very low63 Ų6367.4 Ų67.429%0.29438%0.381SS..SBendtrans77.7134.3171.8-51.3179.918.400115.9L331L331-Q349 PolarHBondContact O-OE1 2.87Å
350F37.8Very low51.3Low57 Ų5762.9 Ų62.925%0.2536%0.363CS..EExtended strand (participates in β ladder)trans-84139.4-158.1-79.5-101.5000111.5L22 L332 V333 K334 V386L22-F350 HydrophobicContact CB-CD1 4.49Å; L22-F350 HydrophobicContact CD2-CD1 3.85Å; L22-F350 HydrophobicContact CD2-CE1 4.35Å; L22-F350 WeakPolarHBondContact O-CE1 3.48Å; L332-F350 WeakPolarHBondContact O-CB 3.08Å; L332-F350 PolarHBondContact O-N 3.43Å; V333-F350 CarbonylContact C-O 3.55Å; V333-F350 WeakPolarHBondContact CA-O 3.32Å; V333-F350 HydrophobicContact CB-CB 3.97Å; V333-F350 HydrophobicContact CG1-CB 4.03Å; V333-F350 HydrophobicContact CG2-CB 3.45Å; V333-F350 VanDerWaalsContact CG2-CB 3.45Å; V333-F350 HydrophobicContact CG2-CG 4.09Å; K334-F350 PolarHBondContact N-O 2.98Å; F350-V386 HydrophobicContact CE1-CB 3.78Å; F350-V386 WeakPolarHBondContact CE2-O 3.21Å; F350-V386 HydrophobicContact CZ-CB 3.78Å; F350-V386 HydrophobicContact CZ-CG1 4.18Å; F350-V386 WeakPolarHBondContact CZ-O 3.32Å
351V43.7Very low54.1Low45 Ų4559.5 Ų59.527%0.27333%0.334SS..EExtended strand (participates in β ladder)trans-126.5114.9164.7168.70000106.6L22 K334 Y336L22-V351 WeakPolarHBondContact CD1-O 3.44Å; K334-V351 VanDerWaalsContact O-CA 3.24Å; K334-V351 WeakPolarHBondContact O-CA 3.27Å; K334-V351 WeakPolarHBondContact O-CG1 3.3Å; Y336-V351 HydrophobicContact CD2-CB 4.32Å; Y336-V351 HydrophobicContact CD2-CG1 3.65Å; Y336-V351 HydrophobicContact CD2-CG2 3.76Å; Y336-V351 HydrophobicContact CE2-CG2 4.05Å; Y336-V351 HydrophobicContact CG-CG1 4.22Å
352Q44Very low56.9Low2 Ų256.2 Ų56.21%0.00932%0.317CS..EExtended strand (participates in β ladder)trans-105170.7174.3174.9-171.8-6.700108.2W15 N23 V333 K334 L335 Y336 W383W15-Q352 HydrophobicContact CZ2-CG 3.91Å; N23-Q352 PolarHBondContact OD1-NE2 3.41Å; N23-Q352 PolarHBondContact OD1-OE1 2.85Å; N23-Q352 VanDerWaalsContact OD1-OE1 3.08Å; V333-Q352 HydrophobicContact CG1-CB 4.04Å; K334-Q352 PolarHBondContact O-N 2.97Å; L335-Q352 CarbonylContact C-O 3.55Å; L335-Q352 WeakPolarHBondContact CA-O 3.06Å; L335-Q352 HydrophobicContact CD2-CB 3.17Å; L335-Q352 HydrophobicContact CD2-CG 3.21Å; Y336-Q352 PolarHBondContact N-O 2.87Å; Q352-W383 VanDerWaalsContact OE1-CZ3 3.27Å
353G52.4Low59.6Low1 Ų153.6 Ų53.61%0.0130%0.299CS..  trans-166.385.1-170.900000110.2W15 F337W15-G353 VanDerWaalsContact CE2-N 3.34Å; F337-G353 WeakPolarHBondContact CZ-O 3.23Å
354G65.2Low62.4Low7 Ų747.6 Ų47.67%0.07227%0.267CS..  trans-99.3-47.6177.700000115.4Y26 F337 H381Y26-G354 WeakPolarHBondContact OH-CA 3.16Å; F337-G354 VanDerWaalsContact CE2-C 3.42Å; F337-G354 VanDerWaalsContact CE2-N 3.32Å; G354-H381 PolarHBondContact O-CE1 3.48Å
355H76Confident65.3Low1 Ų144.3 Ų44.31%0.00524%0.244CC..  trans-80.6122-169.6-70.3-75.2000115.3S305 F337 N357 V359 S374 D376 H381S305-H355 WeakPolarHBondContact CB-O 3.25Å; F337-H355 WeakPolarHBondContact CD2-O 3.36Å; F337-H355 VanDerWaalsContact CE2-C 3.45Å; F337-H355 WeakPolarHBondContact CE2-O 3.42Å; H355-N357 VanDerWaalsContact C-N 3.25Å; H355-N357 PolarHBondContact O-N 3.12Å; H355-V359 HydrophobicContact CB-CG2 3.87Å; H355-V359 VanDerWaalsContact CD2-CG2 3.45Å; H355-V359 WeakPolarHBondContact CD2-CG2 3.46Å; H355-S374 PolarHBondContact CE1-O 2.6Å; H355-S374 VanDerWaalsContact CE1-O 3.24Å; H355-S374 WeakPolarHBondContact NE2-CB 3.32Å; H355-S374 PolarHBondContact NE2-O 3.01Å; H355-S374 PolarHBondContact NE2-OG 3.17Å; H355-D376 IonicContact CE1-OD2 3.66Å; H355-D376 IonicContact CG-OD2 2.72Å; H355-D376 VanDerWaalsContact ND1-CG 3.29Å; H355-D376 IonicContact ND1-OD2 3.74Å; H355-D376 PolarHBondContact ND1-OD2 3.41Å; H355-H381 AromaticContact CE1-CD2 3.03Å; H355-H381 PolarHBondContact CE1-CD2 3.19Å; H355-H381 AromaticContact CE1-CG 3.57Å; H355-H381 AromaticContact CE1-NE2 3.77Å; H355-H381 AromaticContact ND1-CD2 3.29Å; H355-H381 PolarHBondContact ND1-CD2 3.27Å; H355-H381 VanDerWaalsContact ND1-CD2 3.29Å; H355-H381 AromaticContact ND1-CG 4Å; H355-H381 AromaticContact ND1-NE2 3.51Å; H355-H381 AromaticContact NE2-CD2 3.69Å; H355-H381 AromaticContact NE2-CG 3.76Å
356K72.7Confident68.2Low106 Ų10640.5 Ų40.546%0.46122%0.222SC..SBendtrans-72.1-22.1171-65.8-179.8-175.7177.80113N8 V12N8-K356 PolarHBondContact ND2-O 2.87Å; N8-K356 VanDerWaalsContact ND2-O 3.17Å; V12-K356 HydrophobicContact CG2-CD 4.19Å; V12-K356 HydrophobicContact CG2-CG 3.64Å
357N79.6Confident71.2Confident58 Ų5837.4 Ų37.431%0.3120%0.201SC..SBendtrans-118.6173.7-171.9-69.1-52.1000111.5S305 H355 V359 D376S305-N357 WeakPolarHBondContact CA-O 3.38Å; S305-N357 WeakPolarHBondContact CB-O 3.25Å; H355-N357 VanDerWaalsContact C-N 3.25Å; H355-N357 PolarHBondContact O-N 3.12Å; N357-V359 PolarHBondContact O-N 2.93Å; N357-D376 HydrophobicContact CB-CB 3.87Å
358R86.3Confident74.2Confident111 Ų11134.7 Ų34.742%0.41917%0.174SC..  trans-57.1127171.5175.3175.6-178.4-178.23.7109.7D286 T303 G304 Y360 D376D286-R358 IonicContact OD1-NH2 3.9Å; D286-R358 IonicContact OD2-CZ 3.93Å; D286-R358 IonicContact OD2-NE 3.59Å; D286-R358 IonicContact OD2-NH2 2.81Å; D286-R358 PolarHBondContact OD2-NH2 2.88Å; T303-R358 VanDerWaalsContact O-CD 3.23Å; T303-R358 WeakPolarHBondContact O-CD 3.41Å; T303-R358 WeakPolarHBondContact O-CG 3.25Å; T303-R358 PolarHBondContact O-NE 2.91Å; G304-R358 WeakPolarHBondContact O-CA 3.38Å; R358-Y360 PolarHBondContact O-N 2.95Å; R358-D376 VanDerWaalsContact O-CB 3.3Å; R358-D376 WeakPolarHBondContact O-CB 3.46Å
359V89.2Confident77.1Confident0 Ų035.2 Ų35.20%018%0.176CC..  trans-71.8129172.6-174.60000107.5R301 G304 V307 H355 N357 D361 T375R301-V359 VanDerWaalsContact CD-O 3.27Å; R301-V359 WeakPolarHBondContact CD-O 3.14Å; R301-V359 HydrophobicContact CG-CB 4.14Å; R301-V359 HydrophobicContact CG-CG1 4.18Å; R301-V359 VanDerWaalsContact CZ-O 3.24Å; R301-V359 PolarHBondContact NE-O 2.81Å; R301-V359 PolarHBondContact NH1-O 2.92Å; G304-V359 PolarHBondContact O-N 2.91Å; G304-V359 VanDerWaalsContact O-N 3.1Å; V307-V359 HydrophobicContact CG2-CG1 4.07Å; V307-V359 HydrophobicContact CG2-CG2 4.48Å; H355-V359 HydrophobicContact CB-CG2 3.87Å; H355-V359 VanDerWaalsContact CD2-CG2 3.45Å; H355-V359 WeakPolarHBondContact CD2-CG2 3.46Å; N357-V359 PolarHBondContact O-N 2.93Å; V359-D361 WeakPolarHBondContact CG1-O 3.18Å; V359-T375 WeakPolarHBondContact CA-O 3.42Å; V359-T375 WeakPolarHBondContact CG1-O 3.39Å
360Y91.8Very high79.6Confident51 Ų5133.7 Ų33.720%0.217%0.167CC..  trans-92.9-36.3176.6-68.5-57.6000112.2C35 G36 Y62 R301 R358 T375 A377C35-Y360 VanDerWaalsContact O-CD2 3.28Å; C35-Y360 WeakPolarHBondContact O-CD2 3.38Å; G36-Y360 WeakPolarHBondContact O-CB 3.36Å; Y62-Y360 HydrophobicContact CD2-CD1 4.18Å; Y62-Y360 HydrophobicContact CD2-CD2 4.14Å; Y62-Y360 HydrophobicContact CD2-CE1 4.02Å; Y62-Y360 AromaticContact CD2-CE2 3.93Å; Y62-Y360 HydrophobicContact CD2-CE2 3.93Å; Y62-Y360 HydrophobicContact CD2-CG 4.25Å; Y62-Y360 AromaticContact CD2-CZ 3.89Å; Y62-Y360 AromaticContact CE2-CD1 3.71Å; Y62-Y360 HydrophobicContact CE2-CD1 3.71Å; Y62-Y360 HydrophobicContact CE2-CD2 4.41Å; Y62-Y360 AromaticContact CE2-CE1 3.34Å; Y62-Y360 HydrophobicContact CE2-CE1 3.34Å; Y62-Y360 HydrophobicContact CE2-CE2 4.07Å; Y62-Y360 HydrophobicContact CE2-CG 4.24Å; Y62-Y360 AromaticContact CE2-CZ 3.54Å; Y62-Y360 AromaticContact CZ-CE1 3.92Å; Y62-Y360 AromaticContact CZ-CZ 3.99Å; R301-Y360 VanDerWaalsContact NE-C 3.32Å; R301-Y360 PolarHBondContact NE-O 3.32Å; R301-Y360 PolarHBondContact NH2-O 3.12Å; R358-Y360 PolarHBondContact O-N 2.95Å; Y360-T375 PolarHBondContact N-O 2.86Å; Y360-A377 HydrophobicContact CE2-CB 3.68Å
361D93.7Very high82.2Confident7 Ų731.1 Ų31.14%0.03716%0.156CC..EExtended strand (participates in β ladder)trans-153.7159.8-177.3-16018.7000112.4G36 C38 K39 K287 V359 S374 T375G36-D361 WeakPolarHBondContact O-CB 3.43Å; C38-D361 PolarHBondContact N-OD2 2.87Å; K39-D361 WeakPolarHBondContact CE-OD2 3.45Å; K39-D361 IonicContact NZ-OD2 2.76Å; K287-D361 WeakPolarHBondContact CD-OD1 2.94Å; K287-D361 VanDerWaalsContact CE-OD1 3.32Å; K287-D361 WeakPolarHBondContact CE-OD1 3.19Å; K287-D361 IonicContact NZ-OD1 2.71Å; K287-D361 PolarHBondContact NZ-OD1 3.18Å; K287-D361 IonicContact NZ-OD2 3.4Å; V359-D361 WeakPolarHBondContact CG1-O 3.18Å; D361-S374 WeakPolarHBondContact O-CA 3.24Å; D361-T375 HydrophobicContact CB-CG2 4.01Å; D361-T375 PolarHBondContact O-N 3.43Å
362F94.5Very high84.5Confident0 Ų029 Ų290%014%0.143CC..EExtended strand (participates in β ladder)trans-148.6159.6171.677.5-87.3000111.2K287 A289 A299 R301 V307 I372 C373K287-F362 HydrophobicContact CB-CE1 3.99Å; K287-F362 HydrophobicContact CD-CD1 4.13Å; K287-F362 HydrophobicContact CD-CE1 3.98Å; K287-F362 HydrophobicContact CG-CD1 4.47Å; K287-F362 HydrophobicContact CG-CE1 3.85Å; K287-F362 HydrophobicContact CG-CZ 4.42Å; K287-F362 PolarHBondContact NZ-O 2.74Å; A289-F362 HydrophobicContact CB-CE2 3.95Å; A289-F362 HydrophobicContact CB-CZ 3.95Å; A299-F362 HydrophobicContact CB-CD2 4.3Å; A299-F362 HydrophobicContact CB-CE2 3.37Å; A299-F362 HydrophobicContact CB-CZ 3.62Å; R301-F362 HydrophobicContact CB-CD1 3.79Å; R301-F362 HydrophobicContact CB-CE1 3.76Å; V307-F362 HydrophobicContact CG1-CD1 4.38Å; V307-F362 HydrophobicContact CG1-CD2 4.4Å; V307-F362 HydrophobicContact CG1-CG 4.23Å; V307-F362 HydrophobicContact CG2-CB 4.25Å; V307-F362 HydrophobicContact CG2-CD1 4.44Å; V307-F362 HydrophobicContact CG2-CG 4.43Å; F362-I372 HydrophobicContact CB-CG2 4.46Å; F362-I372 HydrophobicContact CD2-CG2 4.42Å; F362-C373 CarbonylContact C-O 3.59Å; F362-C373 WeakPolarHBondContact CA-O 3.46Å; F362-C373 WeakPolarHBondContact CB-O 3.32Å
363S95.9Very high86.9Confident20 Ų2028.9 Ų28.914%0.1414%0.143CC..EExtended strand (participates in β ladder)trans-146137.6175.8-172.10000111.2C38 W40 I372 C373C38-S363 WeakPolarHBondContact O-CB 3.39Å; W40-S363 PolarHBondContact N-OG 2.68Å; W40-S363 PolarHBondContact NE1-O 3.4Å; W40-S363 VanDerWaalsContact NE1-O 3.13Å; S363-I372 WeakPolarHBondContact O-CA 3.26Å; S363-C373 PolarHBondContact N-O 3.15Å; S363-C373 PolarHBondContact O-N 3.36Å
364W95.8Very high88.8Confident14 Ų1428.9 Ų28.95%0.05314%0.142CC..EExtended strand (participates in β ladder)trans-68.2142.1163.9-68.1104.8000110.3A289 P292 V297 A299 L309 W370 I372A289-W364 PolarHBondContact O-NE1 2.79Å; P292-W364 HydrophobicContact CG-CB 4.13Å; V297-W364 HydrophobicContact CG1-CH2 3.88Å; V297-W364 HydrophobicContact CG1-CZ2 4.11Å; A299-W364 HydrophobicContact CB-CZ2 3.58Å; L309-W364 HydrophobicContact CD1-CH2 4.27Å; L309-W364 HydrophobicContact CD2-CH2 3.68Å; L309-W364 HydrophobicContact CD2-CZ2 3.68Å; W364-W370 HydrophobicContact CZ3-CE3 4.48Å; W364-I372 HydrophobicContact CD2-CD1 4.22Å; W364-I372 HydrophobicContact CD2-CG1 3.99Å; W364-I372 HydrophobicContact CE3-CD1 3.77Å; W364-I372 HydrophobicContact CE3-CG1 3.49Å; W364-I372 VanDerWaalsContact CE3-CG1 3.49Å; W364-I372 HydrophobicContact CH2-CD1 3.82Å; W364-I372 HydrophobicContact CH2-CG1 4.47Å; W364-I372 HydrophobicContact CZ2-CD1 4.26Å; W364-I372 HydrophobicContact CZ3-CD1 3.55Å; W364-I372 HydrophobicContact CZ3-CG1 3.77Å
365N94.9Very high90.2Very high0 Ų028.5 Ų28.50%014%0.139CC..  trans-76.2124.2169.6-172.5-55000108.8W40 H293 N367 I368 F371W40-N365 VanDerWaalsContact CD1-CA 3.49Å; W40-N365 VanDerWaalsContact CD1-N 3.34Å; W40-N365 HydrophobicContact CD2-CB 3.98Å; W40-N365 HydrophobicContact CG-CB 4.04Å; H293-N365 PolarHBondContact NE2-O 2.87Å; N365-N367 PolarHBondContact O-N 3.32Å; N365-N367 WeakPolarHBondContact OD1-CA 3.44Å; N365-N367 WeakPolarHBondContact OD1-CB 3.42Å; N365-N367 PolarHBondContact OD1-N 2.91Å; N365-I368 PolarHBondContact OD1-N 3.41Å; N365-F371 HydrophobicContact CB-CB 3.81Å; N365-F371 HydrophobicContact CB-CD1 4.26Å; N365-F371 HydrophobicContact CB-CG 4.49Å; N365-F371 VanDerWaalsContact CB-O 3.3Å; N365-F371 WeakPolarHBondContact CB-O 3.18Å; N365-F371 PolarHBondContact N-O 3.43Å
366P93.6Very high90.8Very high46 Ų4628.5 Ų28.530%0.29914%0.139SC..SBendtrans-74-11-17826-30.7000114.1W40 D42 H293W40-P366 HydrophobicContact CB-CG 4.48Å; D42-P366 HydrophobicContact CB-CG 3.98Å; H293-P366 PolarHBondContact CE1-O 3.16Å; H293-P366 PolarHBondContact NE2-O 2.82Å
367N92.2Very high91.4Very high63 Ų6324.6 Ų24.634%0.33713%0.127SC..SBendtrans-109.9-32.3-174.1-65.9-93.2000113.5D42 G43 Y55 N365D42-N367 PolarHBondContact OD1-ND2 2.86Å; D42-N367 PolarHBondContact OD1-OD1 2.71Å; G43-N367 PolarHBondContact N-ND2 2.63Å; Y55-N367 HydrophobicContact CE1-CB 3.85Å; N365-N367 PolarHBondContact O-N 3.32Å; N365-N367 WeakPolarHBondContact OD1-CA 3.44Å; N365-N367 WeakPolarHBondContact OD1-CB 3.42Å; N365-N367 PolarHBondContact OD1-N 2.91Å
368I91.8Very high91.6Very high33 Ų3327.7 Ų27.717%0.16914%0.139CC..SBendtrans-113.5115.5-178.9-54.4178.1000108.5Y55 I77 N365 F371Y55-I368 HydrophobicContact CD2-CD1 4.27Å; Y55-I368 HydrophobicContact CE1-CD1 4.26Å; Y55-I368 HydrophobicContact CE1-CG1 4.29Å; Y55-I368 HydrophobicContact CE2-CD1 3.55Å; Y55-I368 HydrophobicContact CE2-CG1 4.39Å; I77-I368 HydrophobicContact CD1-CD1 3.64Å; I77-I368 HydrophobicContact CG2-CD1 4.49Å; N365-I368 PolarHBondContact OD1-N 3.41Å; I368-F371 HydrophobicContact CB-CB 3.87Å; I368-F371 HydrophobicContact CB-CG 4.36Å; I368-F371 HydrophobicContact CG2-CB 3.88Å; I368-F371 HydrophobicContact CG2-CD2 4.11Å; I368-F371 HydrophobicContact CG2-CG 4.27Å; I368-F371 WeakPolarHBondContact O-CB 3.21Å; I368-F371 PolarHBondContact O-N 2.67Å
369P91.2Very high91.7Very high55 Ų5523.1 Ų23.136%0.35712%0.124SC..THydrogen-bonded Turntrans-50.7145.2171.1-27.135.1000111.9H293 F371 H384H293-P369 HydrophobicContact CB-CB 4.05Å; H293-P369 HydrophobicContact CB-CG 4.15Å; H293-P369 VanDerWaalsContact CD2-CA 3.49Å; H293-P369 WeakPolarHBondContact CD2-CA 3.23Å; P369-F371 PolarHBondContact O-N 3.08Å; P369-H384 PolarHBondContact O-CD2 3.11Å; P369-H384 PolarHBondContact O-NE2 3.17Å
370W89.9Confident91.8Very high30 Ų3023.1 Ų23.111%0.11412%0.124CC..THydrogen-bonded Turntrans62.410.5173.4-59.299.3000116.6E294 V297 L309 L332 W364 H384 V385 T387E294-W370 HydrophobicContact CB-CZ2 4.5Å; E294-W370 HydrophobicContact CG-CZ2 3.67Å; E294-W370 PolarHBondContact OE1-NE1 3.39Å; V297-W370 HydrophobicContact CB-CH2 4.26Å; V297-W370 HydrophobicContact CG1-CH2 3.81Å; V297-W370 HydrophobicContact CG1-CZ3 3.89Å; V297-W370 HydrophobicContact CG2-CH2 3.53Å; V297-W370 HydrophobicContact CG2-CZ2 3.96Å; V297-W370 HydrophobicContact CG2-CZ3 4.44Å; L309-W370 HydrophobicContact CD1-CZ3 4.5Å; L332-W370 HydrophobicContact CD1-CH2 3.48Å; L332-W370 VanDerWaalsContact CD1-CH2 3.48Å; L332-W370 HydrophobicContact CD1-CZ3 3.69Å; W364-W370 HydrophobicContact CZ3-CE3 4.48Å; W370-H384 WeakPolarHBondContact O-CA 3.35Å; W370-V385 HydrophobicContact CB-CB 4.3Å; W370-V385 HydrophobicContact CE3-CB 4.19Å; W370-V385 HydrophobicContact CE3-CG1 4.36Å; W370-V385 PolarHBondContact O-N 3.37Å; W370-T387 HydrophobicContact CB-CG2 4.16Å; W370-T387 HydrophobicContact CD2-CG2 3.35Å; W370-T387 VanDerWaalsContact CE2-CG2 3.42Å; W370-T387 HydrophobicContact CE3-CG2 3.96Å; W370-T387 HydrophobicContact CG-CG2 3.42Å; W370-T387 VanDerWaalsContact CG-CG2 3.42Å; W370-T387 HydrophobicContact CZ2-CG2 4.03Å
371F91.4Very high91.7Very high4 Ų421.1 Ų21.12%0.01812%0.117CC..EExtended strand (participates in β ladder)trans-101.1128.4178.7-148.2-87.4000110.2F25 W40 I77 N365 I368 P369 V382 W383 H384F25-F371 HydrophobicContact CB-CE2 4.03Å; F25-F371 HydrophobicContact CD1-CE1 4.46Å; F25-F371 AromaticContact CD1-CE2 3.67Å; F25-F371 HydrophobicContact CD1-CE2 3.67Å; F25-F371 AromaticContact CD1-CZ 3.34Å; F25-F371 HydrophobicContact CD1-CZ 3.34Å; F25-F371 HydrophobicContact CE1-CE2 4.42Å; F25-F371 AromaticContact CE1-CZ 3.69Å; F25-F371 HydrophobicContact CE1-CZ 3.69Å; F25-F371 HydrophobicContact CG-CE2 4.03Å; F25-F371 HydrophobicContact CG-CZ 4.11Å; W40-F371 AromaticContact CH2-CD1 3.89Å; W40-F371 HydrophobicContact CH2-CD1 3.89Å; W40-F371 AromaticContact CH2-CE1 3.61Å; W40-F371 HydrophobicContact CH2-CE1 3.61Å; W40-F371 AromaticContact CZ2-CD1 3.55Å; W40-F371 HydrophobicContact CZ2-CD1 3.55Å; W40-F371 AromaticContact CZ2-CE1 3.65Å; W40-F371 HydrophobicContact CZ2-CE1 3.65Å; I77-F371 HydrophobicContact CD1-CD1 4.12Å; I77-F371 HydrophobicContact CD1-CD2 4.46Å; I77-F371 HydrophobicContact CD1-CE1 3.35Å; I77-F371 HydrophobicContact CD1-CE2 3.87Å; I77-F371 HydrophobicContact CD1-CZ 3.26Å; I77-F371 HydrophobicContact CG1-CE1 4.22Å; I77-F371 HydrophobicContact CG1-CE2 4.44Å; I77-F371 HydrophobicContact CG1-CZ 3.77Å; I77-F371 HydrophobicContact CG2-CE2 4.17Å; I77-F371 HydrophobicContact CG2-CZ 4.3Å; N365-F371 HydrophobicContact CB-CB 3.81Å; N365-F371 HydrophobicContact CB-CD1 4.26Å; N365-F371 HydrophobicContact CB-CG 4.49Å; N365-F371 VanDerWaalsContact CB-O 3.3Å; N365-F371 WeakPolarHBondContact CB-O 3.18Å; N365-F371 PolarHBondContact N-O 3.43Å; I368-F371 HydrophobicContact CB-CB 3.87Å; I368-F371 HydrophobicContact CB-CG 4.36Å; I368-F371 HydrophobicContact CG2-CB 3.88Å; I368-F371 HydrophobicContact CG2-CD2 4.11Å; I368-F371 HydrophobicContact CG2-CG 4.27Å; I368-F371 WeakPolarHBondContact O-CB 3.21Å; I368-F371 PolarHBondContact O-N 2.67Å; P369-F371 PolarHBondContact O-N 3.08Å; F371-V382 HydrophobicContact CD1-CG1 4.01Å; F371-V382 HydrophobicContact CE1-CG1 3.07Å; F371-V382 HydrophobicContact CZ-CG1 3.49Å; F371-V382 VanDerWaalsContact CZ-CG1 3.49Å; F371-W383 CarbonylContact C-O 3.45Å; F371-W383 WeakPolarHBondContact CA-O 3.26Å; F371-H384 HydrophobicContact CD2-CB 3.49Å; F371-H384 VanDerWaalsContact CD2-CB 3.49Å; F371-H384 AromaticContact CD2-CD2 3.65Å; F371-H384 AromaticContact CD2-CG 3.92Å; F371-H384 HydrophobicContact CE2-CB 3.74Å; F371-H384 HydrophobicContact CG-CB 4.43Å
372I93Very high91.5Very high0 Ų020.8 Ų20.80%012%0.115CC..EExtended strand (participates in β ladder)trans-132.3148.7-174.3-66164.5000109.6L309 F362 S363 W364 V382 W383L309-I372 HydrophobicContact CD1-CD1 4.02Å; L309-I372 HydrophobicContact CD2-CD1 3.75Å; L309-I372 HydrophobicContact CG-CD1 4.46Å; F362-I372 HydrophobicContact CB-CG2 4.46Å; F362-I372 HydrophobicContact CD2-CG2 4.42Å; S363-I372 WeakPolarHBondContact O-CA 3.26Å; W364-I372 HydrophobicContact CD2-CD1 4.22Å; W364-I372 HydrophobicContact CD2-CG1 3.99Å; W364-I372 HydrophobicContact CE3-CD1 3.77Å; W364-I372 HydrophobicContact CE3-CG1 3.49Å; W364-I372 VanDerWaalsContact CE3-CG1 3.49Å; W364-I372 HydrophobicContact CH2-CD1 3.82Å; W364-I372 HydrophobicContact CH2-CG1 4.47Å; W364-I372 HydrophobicContact CZ2-CD1 4.26Å; W364-I372 HydrophobicContact CZ3-CD1 3.55Å; W364-I372 HydrophobicContact CZ3-CG1 3.77Å; I372-V382 WeakPolarHBondContact O-CA 3.44Å; I372-W383 HydrophobicContact CB-CD2 3.99Å; I372-W383 HydrophobicContact CB-CE3 4.32Å; I372-W383 HydrophobicContact CB-CH2 4.13Å; I372-W383 HydrophobicContact CB-CZ2 3.73Å; I372-W383 HydrophobicContact CB-CZ3 4.41Å; I372-W383 HydrophobicContact CD1-CE3 4.3Å; I372-W383 HydrophobicContact CD1-CH2 3.3Å; I372-W383 HydrophobicContact CD1-CZ2 3.74Å; I372-W383 HydrophobicContact CD1-CZ3 3.63Å; I372-W383 HydrophobicContact CG1-CH2 4.3Å; I372-W383 HydrophobicContact CG1-CZ2 4.35Å; I372-W383 HydrophobicContact CG2-CD2 4.42Å; I372-W383 HydrophobicContact CG2-CH2 4.18Å; I372-W383 HydrophobicContact CG2-CZ2 3.43Å; I372-W383 VanDerWaalsContact CG2-CZ2 3.43Å; I372-W383 PolarHBondContact N-O 2.97Å; I372-W383 PolarHBondContact O-N 3.12Å
373C93.6Very high91.2Very high0 Ų020.9 Ų20.90%012%0.115CC..EExtended strand (participates in β ladder)trans-115.2148160.772.20000110W40 I57 F362 S363 L380 H381 V382W40-C373 HydrophobicContact CZ2-CB 3.79Å; W40-C373 VanDerWaalsContact NE1-N 3.11Å; W40-C373 PolarHBondContact NE1-SG 3.22Å; W40-C373 VanDerWaalsContact NE1-SG 3.41Å; I57-C373 HydrophobicContact CD1-CB 3.64Å; F362-C373 CarbonylContact C-O 3.59Å; F362-C373 WeakPolarHBondContact CA-O 3.46Å; F362-C373 WeakPolarHBondContact CB-O 3.32Å; S363-C373 PolarHBondContact N-O 3.15Å; S363-C373 PolarHBondContact O-N 3.36Å; C373-L380 HydrophobicContact CB-CD1 4.24Å; C373-H381 CarbonylContact C-O 3.6Å; C373-H381 WeakPolarHBondContact CA-O 3.37Å; C373-V382 HydrophobicContact CB-CG2 4.06Å
374S93.6Very high90.7Very high0 Ų021.1 Ų21.10%011%0.114CC..EExtended strand (participates in β ladder)trans-145.1144.2176.350.20000110.1H355 D361 H381 W383H355-S374 PolarHBondContact CE1-O 2.6Å; H355-S374 VanDerWaalsContact CE1-O 3.24Å; H355-S374 WeakPolarHBondContact NE2-CB 3.32Å; H355-S374 PolarHBondContact NE2-O 3.01Å; H355-S374 PolarHBondContact NE2-OG 3.17Å; D361-S374 WeakPolarHBondContact O-CA 3.24Å; S374-H381 PolarHBondContact N-O 3.23Å; S374-H381 PolarHBondContact O-N 3.17Å; S374-W383 PolarHBondContact OG-NE1 3.47Å; S374-W383 VanDerWaalsContact OG-NE1 3.15Å
375T92.9Very high89.9Confident0 Ų020.7 Ų20.70%011%0.113CC..EExtended strand (participates in β ladder)trans-125142.8-176.8-163.80000111C35 C38 V359 Y360 D361 S379C35-T375 VanDerWaalsContact CB-OG1 3.3Å; C35-T375 WeakPolarHBondContact CB-OG1 3.36Å; C35-T375 PolarHBondContact SG-OG1 2.82Å; C38-T375 HydrophobicContact CB-CG2 4Å; V359-T375 WeakPolarHBondContact CA-O 3.42Å; V359-T375 WeakPolarHBondContact CG1-O 3.39Å; Y360-T375 PolarHBondContact N-O 2.86Å; D361-T375 HydrophobicContact CB-CG2 4.01Å; D361-T375 PolarHBondContact O-N 3.43Å; T375-S379 WeakPolarHBondContact CA-O 3.37Å; T375-S379 PolarHBondContact OG1-O 3.14Å
376D88.6Confident88.7Confident0 Ų022.5 Ų22.50%012%0.124CC..  trans-116.8-167.6162.665.332.1000110.3H355 N357 R358 E378 S379H355-D376 IonicContact CE1-OD2 3.66Å; H355-D376 IonicContact CG-OD2 2.72Å; H355-D376 VanDerWaalsContact ND1-CG 3.29Å; H355-D376 IonicContact ND1-OD2 3.74Å; H355-D376 PolarHBondContact ND1-OD2 3.41Å; N357-D376 HydrophobicContact CB-CB 3.87Å; R358-D376 VanDerWaalsContact O-CB 3.3Å; R358-D376 WeakPolarHBondContact O-CB 3.46Å; D376-E378 PolarHBondContact O-N 3.5Å; D376-E378 PolarHBondContact OD1-N 2.79Å; D376-S379 VanDerWaalsContact CG-OG 3.23Å; D376-S379 PolarHBondContact N-O 2.84Å; D376-S379 PolarHBondContact OD1-N 3.34Å; D376-S379 PolarHBondContact OD1-OG 2.82Å; D376-S379 PolarHBondContact OD2-OG 2.96Å; D376-S379 VanDerWaalsContact OD2-OG 3.11Å
377A85.4Confident87.4Confident25 Ų2526.6 Ų26.621%0.20715%0.148CC..SBendtrans-60-20.1-178.800000114.7P34 Y360P34-A377 WeakPolarHBondContact CA-O 3.46Å; P34-A377 WeakPolarHBondContact CB-O 3.4Å; Y360-A377 HydrophobicContact CE2-CB 3.68Å
378E84.6Confident87.1Confident122 Ų12224.8 Ų24.857%0.5714%0.139SC*.SBendtrans-130.4-20.2-169.1-64.4-179171.300112.6L31 D376L31-E378 PolarHBondContact N-O 2.94Å; D376-E378 PolarHBondContact O-N 3.5Å; D376-E378 PolarHBondContact OD1-N 2.79Å
379S87.6Confident86.9Confident16 Ų1624.3 Ų24.311%0.11214%0.137CC..EExtended strand (participates in β ladder)trans-145.6144.9-166.156.90000113.3Y29 T375 D376 H381Y29-S379 VanDerWaalsContact O-CA 3.28Å; Y29-S379 WeakPolarHBondContact O-CA 3.49Å; T375-S379 WeakPolarHBondContact CA-O 3.37Å; T375-S379 PolarHBondContact OG1-O 3.14Å; D376-S379 VanDerWaalsContact CG-OG 3.23Å; D376-S379 PolarHBondContact N-O 2.84Å; D376-S379 PolarHBondContact OD1-N 3.34Å; D376-S379 PolarHBondContact OD1-OG 2.82Å; D376-S379 PolarHBondContact OD2-OG 2.96Å; D376-S379 VanDerWaalsContact OD2-OG 3.11Å; S379-H381 PolarHBondContact OG-CD2 2.76Å; S379-H381 PolarHBondContact OG-NE2 2.81Å
380L91Very high86.7Confident0 Ų022.6 Ų22.60%013%0.125CC..EExtended strand (participates in β ladder)trans-105.7125.1169.5178.562000108.5Y29 L31 C38 I57 I59 M112 C373Y29-L380 PolarHBondContact N-O 3.42Å; Y29-L380 PolarHBondContact O-N 3.28Å; L31-L380 HydrophobicContact CD1-CB 4.03Å; L31-L380 HydrophobicContact CG-CB 4.28Å; C38-L380 HydrophobicContact CB-CD1 3.92Å; I57-L380 HydrophobicContact CB-CD2 4.49Å; I57-L380 HydrophobicContact CD1-CD2 3.98Å; I57-L380 HydrophobicContact CG2-CD2 4.22Å; I59-L380 HydrophobicContact CG2-CD2 3.92Å; M112-L380 HydrophobicContact CE-CB 4.41Å; M112-L380 HydrophobicContact CE-CD2 3.55Å; M112-L380 HydrophobicContact CE-CG 3.74Å; M112-L380 HydrophobicContact SD-CB 4.27Å; M112-L380 HydrophobicContact SD-CD2 3.46Å; M112-L380 WeakPolarHBondContact SD-CD2 3.39Å; M112-L380 HydrophobicContact SD-CG 4.02Å; C373-L380 HydrophobicContact CB-CD1 4.24Å
381H89.8Confident86.5Confident9 Ų922.2 Ų22.24%0.04213%0.126CC..EExtended strand (participates in β ladder)trans-109.9142.2179.2-65.9-115.3000109.3Y26 S27 G354 H355 C373 S374 S379Y26-H381 HydrophobicContact CE2-CB 4.48Å; Y26-H381 AromaticContact CE2-ND1 3.71Å; Y26-H381 AromaticContact CZ-ND1 3.49Å; Y26-H381 PolarHBondContact OH-CE1 3.11Å; Y26-H381 PolarHBondContact OH-ND1 3.33Å; S27-H381 CarbonylContact O-C 3.58Å; S27-H381 WeakPolarHBondContact O-CA 3.42Å; G354-H381 PolarHBondContact O-CE1 3.48Å; H355-H381 AromaticContact CE1-CD2 3.03Å; H355-H381 PolarHBondContact CE1-CD2 3.19Å; H355-H381 AromaticContact CE1-CG 3.57Å; H355-H381 AromaticContact CE1-NE2 3.77Å; H355-H381 AromaticContact ND1-CD2 3.29Å; H355-H381 PolarHBondContact ND1-CD2 3.27Å; H355-H381 VanDerWaalsContact ND1-CD2 3.29Å; H355-H381 AromaticContact ND1-CG 4Å; H355-H381 AromaticContact ND1-NE2 3.51Å; H355-H381 AromaticContact NE2-CD2 3.69Å; H355-H381 AromaticContact NE2-CG 3.76Å; C373-H381 CarbonylContact C-O 3.6Å; C373-H381 WeakPolarHBondContact CA-O 3.37Å; S374-H381 PolarHBondContact N-O 3.23Å; S374-H381 PolarHBondContact O-N 3.17Å; S379-H381 PolarHBondContact OG-CD2 2.76Å; S379-H381 PolarHBondContact OG-NE2 2.81Å
382V90.1Very high86.2Confident0 Ų023.3 Ų23.30%013%0.132CC..EExtended strand (participates in β ladder)trans-133.1131.3177175.40000108.5F25 Y26 S27 W40 I57 V75 M112 F371 I372 C373F25-V382 HydrophobicContact CD1-CG1 4.21Å; F25-V382 HydrophobicContact CE1-CB 4.37Å; F25-V382 HydrophobicContact CE1-CG1 3.82Å; Y26-V382 WeakPolarHBondContact CA-O 3.35Å; S27-V382 PolarHBondContact N-O 2.88Å; S27-V382 PolarHBondContact O-N 3.21Å; W40-V382 HydrophobicContact CH2-CG1 3.89Å; W40-V382 HydrophobicContact CH2-CG2 4.29Å; W40-V382 HydrophobicContact CZ2-CG1 3.84Å; W40-V382 HydrophobicContact CZ2-CG2 4.26Å; I57-V382 HydrophobicContact CD1-CG2 3.67Å; V75-V382 HydrophobicContact CG1-CG1 4.2Å; V75-V382 HydrophobicContact CG1-CG2 4.49Å; V75-V382 HydrophobicContact CG2-CG2 4.17Å; M112-V382 HydrophobicContact CE-CB 4.43Å; M112-V382 HydrophobicContact CE-CG2 3.36Å; F371-V382 HydrophobicContact CD1-CG1 4.01Å; F371-V382 HydrophobicContact CE1-CG1 3.07Å; F371-V382 HydrophobicContact CZ-CG1 3.49Å; F371-V382 VanDerWaalsContact CZ-CG1 3.49Å; I372-V382 WeakPolarHBondContact O-CA 3.44Å; C373-V382 HydrophobicContact CB-CG2 4.06Å
383W87.8Confident85.7Confident2 Ų224.9 Ų24.91%0.00814%0.141CC..EExtended strand (participates in β ladder)trans-150.8148.8-171.646.6-79.6000113.4F25 Y26 V307 L309 L335 Q352 F371 I372 S374 V385F25-W383 CarbonylContact O-C 3.47Å; F25-W383 VanDerWaalsContact O-CA 3.25Å; F25-W383 WeakPolarHBondContact O-CA 3.43Å; Y26-W383 HydrophobicContact CD2-CB 4.1Å; V307-W383 HydrophobicContact CB-CZ2 4.38Å; V307-W383 HydrophobicContact CG1-CH2 4.46Å; V307-W383 HydrophobicContact CG1-CZ2 4.28Å; L309-W383 HydrophobicContact CD1-CH2 4.11Å; L309-W383 HydrophobicContact CD1-CZ3 3.95Å; L309-W383 HydrophobicContact CD2-CH2 4.48Å; L309-W383 HydrophobicContact CG-CH2 4.36Å; L335-W383 HydrophobicContact CD1-CH2 4.41Å; L335-W383 HydrophobicContact CD1-CZ2 3.87Å; L335-W383 HydrophobicContact CG-CZ2 4.47Å; Q352-W383 VanDerWaalsContact OE1-CZ3 3.27Å; F371-W383 CarbonylContact C-O 3.45Å; F371-W383 WeakPolarHBondContact CA-O 3.26Å; I372-W383 HydrophobicContact CB-CD2 3.99Å; I372-W383 HydrophobicContact CB-CE3 4.32Å; I372-W383 HydrophobicContact CB-CH2 4.13Å; I372-W383 HydrophobicContact CB-CZ2 3.73Å; I372-W383 HydrophobicContact CB-CZ3 4.41Å; I372-W383 HydrophobicContact CD1-CE3 4.3Å; I372-W383 HydrophobicContact CD1-CH2 3.3Å; I372-W383 HydrophobicContact CD1-CZ2 3.74Å; I372-W383 HydrophobicContact CD1-CZ3 3.63Å; I372-W383 HydrophobicContact CG1-CH2 4.3Å; I372-W383 HydrophobicContact CG1-CZ2 4.35Å; I372-W383 HydrophobicContact CG2-CD2 4.42Å; I372-W383 HydrophobicContact CG2-CH2 4.18Å; I372-W383 HydrophobicContact CG2-CZ2 3.43Å; I372-W383 VanDerWaalsContact CG2-CZ2 3.43Å; I372-W383 PolarHBondContact N-O 2.97Å; I372-W383 PolarHBondContact O-N 3.12Å; S374-W383 PolarHBondContact OG-NE1 3.47Å; S374-W383 VanDerWaalsContact OG-NE1 3.15Å; W383-V385 HydrophobicContact CE3-CG2 3.59Å; W383-V385 HydrophobicContact CZ3-CG2 3.32Å
384H86.1Confident85.1Confident25 Ų2526.6 Ų26.612%0.11615%0.151CC..EExtended strand (participates in β ladder)trans-118.4121.8171.8-175.9-86.9000109.8N23 D24 F25 P369 W370 F371N23-H384 WeakPolarHBondContact CA-O 3.5Å; N23-H384 PolarHBondContact OD1-O 2.73Å; D24-H384 HydrophobicContact CB-CB 4.35Å; D24-H384 VanDerWaalsContact CB-ND1 3.35Å; D24-H384 WeakPolarHBondContact CB-ND1 3.46Å; D24-H384 PolarHBondContact N-O 2.92Å; D24-H384 IonicContact OD2-CE1 3.96Å; D24-H384 PolarHBondContact OD2-CE1 3.32Å; D24-H384 IonicContact OD2-ND1 3.42Å; F25-H384 HydrophobicContact CB-CB 3.86Å; F25-H384 PolarHBondContact O-N 2.88Å; P369-H384 PolarHBondContact O-CD2 3.11Å; P369-H384 PolarHBondContact O-NE2 3.17Å; W370-H384 WeakPolarHBondContact O-CA 3.35Å; F371-H384 HydrophobicContact CD2-CB 3.49Å; F371-H384 VanDerWaalsContact CD2-CB 3.49Å; F371-H384 AromaticContact CD2-CD2 3.65Å; F371-H384 AromaticContact CD2-CG 3.92Å; F371-H384 HydrophobicContact CE2-CB 3.74Å; F371-H384 HydrophobicContact CG-CB 4.43Å
385V79.1Confident84.5Confident4 Ų428.7 Ų28.72%0.02416%0.163CC..EExtended strand (participates in β ladder)trans-70.7131178-176.80000109.7L309 V333 W370 W383 T387L309-V385 HydrophobicContact CD1-CG2 3.63Å; V333-V385 HydrophobicContact CG2-CG1 3.59Å; V333-V385 HydrophobicContact CG2-CG2 4.36Å; W370-V385 HydrophobicContact CB-CB 4.3Å; W370-V385 HydrophobicContact CE3-CB 4.19Å; W370-V385 HydrophobicContact CE3-CG1 4.36Å; W370-V385 PolarHBondContact O-N 3.37Å; W383-V385 HydrophobicContact CE3-CG2 3.59Å; W383-V385 HydrophobicContact CZ3-CG2 3.32Å; V385-T387 PolarHBondContact O-N 3.45Å
386V70.1Confident83.8Confident38 Ų3831.1 Ų31.123%0.2318%0.176CC..  trans-70.9123.9166.3-1780000107.6L22 N23 D24 F350L22-V386 WeakPolarHBondContact O-CG2 3.23Å; N23-V386 VanDerWaalsContact C-CG2 3.48Å; D24-V386 VanDerWaalsContact N-CG2 3.29Å; F350-V386 HydrophobicContact CE1-CB 3.78Å; F350-V386 WeakPolarHBondContact CE2-O 3.21Å; F350-V386 HydrophobicContact CZ-CB 3.78Å; F350-V386 HydrophobicContact CZ-CG1 4.18Å; F350-V386 WeakPolarHBondContact CZ-O 3.32Å
387T65.1Low83.3Confident132 Ų13233.9 Ų33.981%0.8119%0.193SC*.  trans-104.60179.956.70000112.8W370 V385W370-T387 HydrophobicContact CB-CG2 4.16Å; W370-T387 HydrophobicContact CD2-CG2 3.35Å; W370-T387 VanDerWaalsContact CE2-CG2 3.42Å; W370-T387 HydrophobicContact CE3-CG2 3.96Å; W370-T387 HydrophobicContact CG-CG2 3.42Å; W370-T387 VanDerWaalsContact CG-CG2 3.42Å; W370-T387 HydrophobicContact CZ2-CG2 4.03Å; V385-T387 PolarHBondContact O-N 3.45Å

Retrieved 387 of 387 residues in 589 ms (Link to these results)

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