A0A077ZNB9_TRITR Loading...

Peptidase T

AlphaFold DB , UniProt , Accession A0A077ZNB9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 370 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
1M92.6Very high97.9Very high68 Ų6854.6 Ų54.634%0.33526%0.26SS..  0119.50-168.8-176.68100109.2E116 T120 E356 V359M1-E116 WeakPolarHBondContact CA-OE1 3.44Å; M1-E116 HydrophobicContact CG-CG 3.99Å; M1-T120 WeakPolarHBondContact CA-OG1 3.46Å; M1-T120 VanDerWaalsContact N-CG2 3.33Å; M1-T120 PolarHBondContact N-OG1 3.45Å; M1-E356 HydrophobicContact CE-CB 3.78Å; M1-E356 HydrophobicContact CE-CG 3.55Å; M1-E356 HydrophobicContact SD-CB 4.16Å; M1-E356 HydrophobicContact SD-CG 4.24Å; M1-V359 HydrophobicContact CG-CG1 3.97Å; M1-V359 HydrophobicContact SD-CB 3.96Å; M1-V359 HydrophobicContact SD-CG1 3.79Å
2D97.4Very high97.9Very high74 Ų7455.8 Ų55.840%0.39627%0.265SS..  trans-110.6104.8171.1-178.4-21.3000108.5K4 R5 L6 E116D2-K4 PolarHBondContact O-N 2.64Å; D2-K4 WeakPolarHBondContact OD1-CB 3.42Å; D2-K4 PolarHBondContact OD1-N 3.24Å; D2-R5 HydrophobicContact CB-CB 3.85Å; D2-R5 WeakPolarHBondContact O-CB 3.07Å; D2-R5 PolarHBondContact O-N 3.19Å; D2-R5 VanDerWaalsContact O-N 3.12Å; D2-R5 PolarHBondContact OD1-N 3.32Å; D2-R5 VanDerWaalsContact OD1-N 3.16Å; D2-L6 PolarHBondContact O-N 2.72Å; D2-E116 PolarHBondContact N-OE1 2.84Å
3T98Very high98Very high42 Ų4251.5 Ų51.526%0.25824%0.244SC..Hα-helixtrans-58.6-34-179.5-46.70000112.4L6 V7 V352 E356T3-L6 PolarHBondContact O-N 3.37Å; T3-V7 HydrophobicContact CG2-CG2 4.49Å; T3-V7 WeakPolarHBondContact O-CG2 3.38Å; T3-V7 PolarHBondContact O-N 3.35Å; T3-V352 HydrophobicContact CG2-CG1 3.51Å; T3-E356 WeakPolarHBondContact CB-OE1 3.25Å; T3-E356 HydrophobicContact CG2-CG 4.08Å; T3-E356 WeakPolarHBondContact CG2-OE1 3.23Å; T3-E356 PolarHBondContact OG1-OE1 3.33Å
4K98.2Very high98Very high178 Ų17847.8 Ų47.877%0.77423%0.227SC*.Hα-helixtrans-70.7-37.4179.7-66.8-177.9178.3179.60110.9D2 K8D2-K4 PolarHBondContact O-N 2.64Å; D2-K4 WeakPolarHBondContact OD1-CB 3.42Å; D2-K4 PolarHBondContact OD1-N 3.24Å; K4-K8 WeakPolarHBondContact O-CB 3.37Å; K4-K8 PolarHBondContact O-N 3.48Å
5R98.4Very high98Very high43 Ų4351.6 Ų51.616%0.16224%0.244CC..Hα-helixtrans-64.5-46.9173.5-177.5174.258.6-156.1-5.9110.9D2 V7 K8 T9 E116 E119 E123D2-R5 HydrophobicContact CB-CB 3.85Å; D2-R5 WeakPolarHBondContact O-CB 3.07Å; D2-R5 PolarHBondContact O-N 3.19Å; D2-R5 VanDerWaalsContact O-N 3.12Å; D2-R5 PolarHBondContact OD1-N 3.32Å; D2-R5 VanDerWaalsContact OD1-N 3.16Å; R5-V7 PolarHBondContact O-N 3.15Å; R5-K8 PolarHBondContact O-N 3.16Å; R5-T9 WeakPolarHBondContact O-CB 3.12Å; R5-T9 PolarHBondContact O-N 3.3Å; R5-T9 PolarHBondContact O-OG1 3.09Å; R5-T9 VanDerWaalsContact O-OG1 3.05Å; R5-E116 IonicContact CZ-OE1 3.21Å; R5-E116 IonicContact CZ-OE2 3.43Å; R5-E116 IonicContact NE-OE1 2.79Å; R5-E116 IonicContact NE-OE2 2.65Å; R5-E116 PolarHBondContact NE-OE2 3.04Å; R5-E116 IonicContact NH2-OE1 2.68Å; R5-E116 PolarHBondContact NH2-OE1 2.8Å; R5-E116 IonicContact NH2-OE2 3.9Å; R5-E116 PolarHBondContact NH2-OE2 3.44Å; R5-E119 WeakPolarHBondContact CD-OE2 3.39Å; R5-E119 IonicContact CZ-OE2 2.67Å; R5-E119 IonicContact NE-OE2 2.72Å; R5-E119 PolarHBondContact NE-OE2 3Å; R5-E119 IonicContact NH1-OE2 3.47Å; R5-E119 PolarHBondContact NH1-OE2 3.09Å; R5-E119 IonicContact NH2-OE2 2.95Å; R5-E123 IonicContact CZ-OE1 3.75Å; R5-E123 IonicContact CZ-OE2 3.44Å; R5-E123 IonicContact NH1-OE1 3.41Å; R5-E123 PolarHBondContact NH1-OE1 2.93Å; R5-E123 IonicContact NH1-OE2 2.78Å; R5-E123 IonicContact NH2-OE1 3.63Å; R5-E123 IonicContact NH2-OE2 3.61Å; R5-E123 PolarHBondContact NH2-OE2 2.84Å
6L98.7Very high98.1Very high0 Ų050.4 Ų50.40%024%0.239CC..Hα-helixtrans-53.7-53.6176.1176.159.1000112.2D2 T3 K8 T9 F10 A112 E116 M355 V359D2-L6 PolarHBondContact O-N 2.72Å; T3-L6 PolarHBondContact O-N 3.37Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 2.88Å; L6-T9 PolarHBondContact O-N 2.66Å; L6-F10 PolarHBondContact O-N 2.84Å; L6-A112 HydrophobicContact CD1-CB 4.21Å; L6-E116 HydrophobicContact CB-CB 4.35Å; L6-E116 HydrophobicContact CB-CG 4.09Å; L6-E116 HydrophobicContact CD1-CB 3.83Å; L6-E116 HydrophobicContact CD1-CG 4.31Å; L6-M355 HydrophobicContact CD1-CE 3.98Å; L6-M355 HydrophobicContact CD2-CB 3.81Å; L6-M355 HydrophobicContact CG-CB 4.45Å; L6-M355 HydrophobicContact CG-CE 4.03Å; L6-V359 HydrophobicContact CD1-CG2 4.02Å; L6-V359 HydrophobicContact CD2-CG2 3.89Å
7V98.7Very high98.1Very high13 Ų1350.4 Ų50.48%0.07924%0.241CC..Hα-helixtrans-62.2-43179.7171.90000111.1T3 R5 F10 I11 L95 V352T3-V7 HydrophobicContact CG2-CG2 4.49Å; T3-V7 WeakPolarHBondContact O-CG2 3.38Å; T3-V7 PolarHBondContact O-N 3.35Å; R5-V7 PolarHBondContact O-N 3.15Å; V7-F10 PolarHBondContact O-N 3.5Å; V7-I11 HydrophobicContact CG1-CD1 3.79Å; V7-I11 HydrophobicContact CG1-CG1 4.44Å; V7-I11 VanDerWaalsContact O-CG1 3.31Å; V7-I11 WeakPolarHBondContact O-CG1 3.45Å; V7-I11 PolarHBondContact O-N 3.48Å; V7-L95 HydrophobicContact CG1-CD1 4.27Å; V7-L95 HydrophobicContact CG1-CD2 4.26Å; V7-V352 HydrophobicContact CG2-CB 4.4Å; V7-V352 HydrophobicContact CG2-CG1 3.71Å; V7-V352 HydrophobicContact CG2-CG2 3.74Å
8K98.5Very high98.1Very high126 Ų12647.6 Ų47.655%0.54823%0.228SC..Hα-helixtrans-60.9-48.6177.3-179.6-173165.4-165.80111.7K4 R5 L6 F10 I11 E12K4-K8 WeakPolarHBondContact O-CB 3.37Å; K4-K8 PolarHBondContact O-N 3.48Å; R5-K8 PolarHBondContact O-N 3.16Å; L6-K8 VanDerWaalsContact C-N 3.34Å; L6-K8 PolarHBondContact O-N 2.88Å; K8-F10 VanDerWaalsContact C-N 3.31Å; K8-F10 PolarHBondContact O-N 3.2Å; K8-I11 PolarHBondContact O-N 3.48Å; K8-E12 WeakPolarHBondContact CE-OE1 3.33Å; K8-E12 IonicContact NZ-OE1 3.69Å; K8-E12 WeakPolarHBondContact O-CG 3.21Å; K8-E12 PolarHBondContact O-N 2.96Å
9T98.7Very high98.1Very high14 Ų1446.2 Ų46.29%0.08622%0.221CC..Hα-helixtrans-59.8-43.5179-62.90000110.8R5 L6 E12 L13 A112 I115R5-T9 WeakPolarHBondContact O-CB 3.12Å; R5-T9 PolarHBondContact O-N 3.3Å; R5-T9 PolarHBondContact O-OG1 3.09Å; R5-T9 VanDerWaalsContact O-OG1 3.05Å; L6-T9 PolarHBondContact O-N 2.66Å; T9-E12 PolarHBondContact O-N 3.04Å; T9-L13 HydrophobicContact CG2-CD1 3.99Å; T9-L13 VanDerWaalsContact O-CG 3.31Å; T9-L13 WeakPolarHBondContact O-CG 2.99Å; T9-L13 PolarHBondContact O-N 3.27Å; T9-A112 HydrophobicContact CG2-CB 4.38Å; T9-I115 HydrophobicContact CG2-CB 4.33Å; T9-I115 HydrophobicContact CG2-CD1 3.9Å; T9-I115 HydrophobicContact CG2-CG2 4.13Å
10F98.8Very high98.1Very high0 Ų045.3 Ų45.30%022%0.219CC..Hα-helixtrans-60.5-48.1175.7175.7-105.4000112.5L6 V7 K8 E12 L13 V14 L95 L103 A105 A109 A112 I350 M355L6-F10 PolarHBondContact O-N 2.84Å; V7-F10 PolarHBondContact O-N 3.5Å; K8-F10 VanDerWaalsContact C-N 3.31Å; K8-F10 PolarHBondContact O-N 3.2Å; F10-E12 VanDerWaalsContact C-N 3.31Å; F10-E12 PolarHBondContact O-N 3.48Å; F10-L13 PolarHBondContact O-N 3.01Å; F10-L13 VanDerWaalsContact O-N 3.15Å; F10-V14 HydrophobicContact CD2-CG1 4.12Å; F10-V14 HydrophobicContact CE1-CG1 4.13Å; F10-V14 HydrophobicContact CE2-CG1 3.58Å; F10-V14 HydrophobicContact CZ-CG1 3.61Å; F10-V14 PolarHBondContact O-N 3.34Å; F10-L95 HydrophobicContact CD1-CD1 3.63Å; F10-L95 HydrophobicContact CE1-CB 4.24Å; F10-L95 HydrophobicContact CE1-CD1 3.85Å; F10-L103 HydrophobicContact CE1-CD1 4.12Å; F10-L103 HydrophobicContact CE1-CD2 4.23Å; F10-L103 HydrophobicContact CE1-CG 4.33Å; F10-L103 HydrophobicContact CZ-CD1 4.21Å; F10-L103 HydrophobicContact CZ-CD2 3.97Å; F10-L103 HydrophobicContact CZ-CG 3.97Å; F10-A105 HydrophobicContact CE2-CB 4.24Å; F10-A105 HydrophobicContact CZ-CB 3.98Å; F10-A109 HydrophobicContact CD2-CB 4.23Å; F10-A109 HydrophobicContact CE2-CB 3.83Å; F10-A112 HydrophobicContact CB-CB 3.78Å; F10-A112 HydrophobicContact CD2-CB 4.22Å; F10-I350 HydrophobicContact CE1-CG2 4.03Å; F10-I350 HydrophobicContact CZ-CG2 3.93Å; F10-M355 HydrophobicContact CB-CE 3.65Å; F10-M355 HydrophobicContact CD1-CE 4.31Å; F10-M355 HydrophobicContact CD2-CE 4.02Å; F10-M355 HydrophobicContact CG-CE 3.72Å
11I98.7Very high98.1Very high43 Ų4344.3 Ų44.322%0.22122%0.222CC..Hα-helixtrans-58.8-43.1177.2-68.6169000111.1V7 K8 L13 V14 Q15 V88V7-I11 HydrophobicContact CG1-CD1 3.79Å; V7-I11 HydrophobicContact CG1-CG1 4.44Å; V7-I11 VanDerWaalsContact O-CG1 3.31Å; V7-I11 WeakPolarHBondContact O-CG1 3.45Å; V7-I11 PolarHBondContact O-N 3.48Å; K8-I11 PolarHBondContact O-N 3.48Å; I11-L13 PolarHBondContact O-N 3.2Å; I11-V14 WeakPolarHBondContact O-CG2 3.42Å; I11-Q15 WeakPolarHBondContact O-CB 3.38Å; I11-Q15 WeakPolarHBondContact O-CG 3.2Å; I11-Q15 PolarHBondContact O-N 2.93Å; I11-V88 HydrophobicContact CG1-CB 4.31Å; I11-V88 HydrophobicContact CG1-CG1 4.13Å; I11-V88 HydrophobicContact CG1-CG2 4.35Å; I11-V88 HydrophobicContact CG2-CG2 4.39Å
12E98.6Very high98.4Very high68 Ų6845.3 Ų45.332%0.31823%0.229SC..Hα-helixtrans-61.4-42.2176.3-73.6-179.7179.800112K8 T9 F10 I16 Y29K8-E12 WeakPolarHBondContact CE-OE1 3.33Å; K8-E12 IonicContact NZ-OE1 3.69Å; K8-E12 WeakPolarHBondContact O-CG 3.21Å; K8-E12 PolarHBondContact O-N 2.96Å; T9-E12 PolarHBondContact O-N 3.04Å; F10-E12 VanDerWaalsContact C-N 3.31Å; F10-E12 PolarHBondContact O-N 3.48Å; E12-I16 WeakPolarHBondContact O-CG1 3.33Å; E12-Y29 PolarHBondContact OE2-OH 2.85Å
13L98.8Very high98.4Very high0 Ų041.8 Ų41.80%021%0.21CC..Hα-helixtrans-65.4-48.4179.6-73.5164.6000112.2T9 F10 I11 Q15 I16 I26 Y29 L30 K108 I111 A112 I115T9-L13 HydrophobicContact CG2-CD1 3.99Å; T9-L13 VanDerWaalsContact O-CG 3.31Å; T9-L13 WeakPolarHBondContact O-CG 2.99Å; T9-L13 PolarHBondContact O-N 3.27Å; F10-L13 PolarHBondContact O-N 3.01Å; F10-L13 VanDerWaalsContact O-N 3.15Å; I11-L13 PolarHBondContact O-N 3.2Å; L13-Q15 PolarHBondContact O-N 3.28Å; L13-I16 PolarHBondContact O-N 3.1Å; L13-I26 HydrophobicContact CD2-CD1 4.19Å; L13-I26 HydrophobicContact CD2-CG1 4.3Å; L13-Y29 HydrophobicContact CD2-CD1 3.69Å; L13-Y29 HydrophobicContact CD2-CE1 3.55Å; L13-Y29 HydrophobicContact CG-CE1 4.15Å; L13-L30 HydrophobicContact CD2-CD2 4.12Å; L13-K108 HydrophobicContact CB-CB 4.14Å; L13-K108 HydrophobicContact CB-CD 4.37Å; L13-K108 WeakPolarHBondContact O-CD 3.34Å; L13-K108 PolarHBondContact O-NZ 3.22Å; L13-I111 HydrophobicContact CD1-CB 4.06Å; L13-I111 HydrophobicContact CD1-CG2 3.66Å; L13-I111 HydrophobicContact CD2-CG2 4.02Å; L13-A112 HydrophobicContact CD1-CB 3.9Å; L13-I115 HydrophobicContact CD1-CD1 4.31Å
14V98.5Very high98.4Very high0 Ų041.2 Ų41.20%021%0.212CC..Hα-helixtrans-66.1-27.9-178.2-59.40000112.2F10 I11 I16 I86 V88 L103 K108F10-V14 HydrophobicContact CD2-CG1 4.12Å; F10-V14 HydrophobicContact CE1-CG1 4.13Å; F10-V14 HydrophobicContact CE2-CG1 3.58Å; F10-V14 HydrophobicContact CZ-CG1 3.61Å; F10-V14 PolarHBondContact O-N 3.34Å; I11-V14 WeakPolarHBondContact O-CG2 3.42Å; V14-I16 PolarHBondContact O-N 3.4Å; V14-I86 HydrophobicContact CB-CG2 4.37Å; V14-I86 HydrophobicContact CG2-CG2 4.32Å; V14-V88 HydrophobicContact CG2-CG2 3.31Å; V14-L103 WeakPolarHBondContact CB-O 3.48Å; V14-L103 VanDerWaalsContact CG1-O 3.26Å; V14-L103 WeakPolarHBondContact CG1-O 3.41Å; V14-K108 HydrophobicContact CB-CD 4.27Å; V14-K108 HydrophobicContact CG1-CB 4.02Å; V14-K108 HydrophobicContact CG1-CD 3.91Å
15Q98.2Very high98.4Very high105 Ų10539.1 Ų39.149%0.49120%0.203SC..THydrogen-bonded Turntrans-73.1-10.6174-73.9177.6-19.500114.4I11 L13 I86I11-Q15 WeakPolarHBondContact O-CB 3.38Å; I11-Q15 WeakPolarHBondContact O-CG 3.2Å; I11-Q15 PolarHBondContact O-N 2.93Å; L13-Q15 PolarHBondContact O-N 3.28Å; Q15-I86 WeakPolarHBondContact CG-O 3.46Å
16I98.6Very high98.4Very high32 Ų3237.1 Ų37.116%0.16420%0.195CC..SBendtrans-88.6107.2172.8-60.8163.4000109E12 L13 V14 S18 K25 I26 Y29 K108E12-I16 WeakPolarHBondContact O-CG1 3.33Å; L13-I16 PolarHBondContact O-N 3.1Å; V14-I16 PolarHBondContact O-N 3.4Å; I16-S18 PolarHBondContact O-N 3.48Å; I16-K25 HydrophobicContact CG2-CB 3.76Å; I16-I26 HydrophobicContact CG2-CB 3.89Å; I16-Y29 HydrophobicContact CD1-CD1 4.11Å; I16-Y29 HydrophobicContact CD1-CD2 3.64Å; I16-Y29 HydrophobicContact CD1-CE2 4.28Å; I16-Y29 HydrophobicContact CD1-CG 3.53Å; I16-K108 PolarHBondContact O-NZ 3.05Å
17D98.4Very high98.4Very high51 Ų5137.1 Ų37.127%0.27320%0.196SC..  trans-52.3123.7174.8-59.8-20.7000111.6K84 G85D17-K84 HydrophobicContact CB-CG 4.14Å; D17-K84 WeakPolarHBondContact OD1-CA 3.3Å; D17-G85 PolarHBondContact OD1-N 2.85Å
18S98.4Very high98.4Very high0 Ų042.3 Ų42.30%022%0.219CC..  trans-147.430.1-178.862.10000113.6I16 S20 T77 D78 T79 K108I16-S18 PolarHBondContact O-N 3.48Å; S18-S20 PolarHBondContact O-N 3.01Å; S18-T77 WeakPolarHBondContact CB-O 3.29Å; S18-T77 PolarHBondContact OG-O 3.35Å; S18-D78 CarbonylContact O-C 3.41Å; S18-D78 WeakPolarHBondContact O-CA 3Å; S18-T79 PolarHBondContact O-N 2.87Å; S18-K108 WeakPolarHBondContact OG-CE 3.38Å; S18-K108 PolarHBondContact OG-NZ 2.85Å; S18-K108 VanDerWaalsContact OG-NZ 3.14Å
19E98.4Very high98.4Very high21 Ų2138.7 Ų38.710%0.09820%0.202CC..BIsolated β-bridgetrans-49.5142.5172.9-68.3-176.4156.700111.8G21 N22 T79 S81 G83 K84E19-G21 PolarHBondContact O-N 3.35Å; E19-N22 WeakPolarHBondContact O-CA 3.5Å; E19-N22 VanDerWaalsContact O-CB 3.26Å; E19-N22 WeakPolarHBondContact O-CB 3.36Å; E19-N22 PolarHBondContact O-N 3.33Å; E19-N22 PolarHBondContact O-ND2 3.44Å; E19-T79 VanDerWaalsContact CA-O 3.27Å; E19-T79 WeakPolarHBondContact CA-O 3.38Å; E19-S81 WeakPolarHBondContact OE1-CA 3.39Å; E19-S81 WeakPolarHBondContact OE1-CB 3.26Å; E19-S81 PolarHBondContact OE1-OG 3.12Å; E19-S81 PolarHBondContact OE2-OG 3.44Å; E19-G83 PolarHBondContact OE1-N 2.96Å; E19-K84 HydrophobicContact CG-CG 4.05Å; E19-K84 WeakPolarHBondContact OE2-CD 3.21Å; E19-K84 WeakPolarHBondContact OE2-CE 3.43Å; E19-K84 IonicContact OE2-NZ 3.44Å; E19-K84 PolarHBondContact OE2-NZ 3.01Å
20S98.2Very high98.4Very high27 Ų2738 Ų3819%0.18920%0.198CC..THydrogen-bonded Turntrans-45.2132.3-170.4-43.40000113.7S18 N22 D78 T79S18-S20 PolarHBondContact O-N 3.01Å; S20-N22 PolarHBondContact O-ND2 3.01Å; S20-D78 WeakPolarHBondContact CB-OD2 3.27Å; S20-D78 PolarHBondContact OG-OD2 2.97Å; S20-T79 PolarHBondContact N-O 3.19Å; S20-T79 PolarHBondContact OG-O 3.44Å
21G97.4Very high98.4Very high26 Ų2640.8 Ų40.827%0.26821%0.21SC..THydrogen-bonded Turntrans84.7-4.1-169.900000115.3E19 E23 G53E19-G21 PolarHBondContact O-N 3.35Å; G21-E23 VanDerWaalsContact CA-OE2 3.29Å; G21-E23 WeakPolarHBondContact CA-OE2 3.31Å; G21-E23 VanDerWaalsContact N-CD 3.3Å; G21-E23 PolarHBondContact N-OE1 2.95Å; G21-E23 PolarHBondContact N-OE2 3.41Å; G21-G53 VanDerWaalsContact O-CA 3.28Å; G21-G53 WeakPolarHBondContact O-CA 3.42Å; G21-G53 PolarHBondContact O-N 2.69Å; G21-G53 VanDerWaalsContact O-N 3.15Å
22N97.9Very high98.4Very high89 Ų8942.2 Ų42.248%0.47622%0.218SC..  trans-123.329.1-178.9-55.5-89.6000113.6E19 S20 G24E19-N22 WeakPolarHBondContact O-CA 3.5Å; E19-N22 VanDerWaalsContact O-CB 3.26Å; E19-N22 WeakPolarHBondContact O-CB 3.36Å; E19-N22 PolarHBondContact O-N 3.33Å; E19-N22 PolarHBondContact O-ND2 3.44Å; S20-N22 PolarHBondContact O-ND2 3.01Å; N22-G24 PolarHBondContact O-N 2.84Å; N22-G24 VanDerWaalsContact O-N 3.14Å
23E98.3Very high98.4Very high0 Ų040 Ų400%021%0.209CC..THydrogen-bonded Turntrans-74.3-1.7-173.6-50.286167.700113.9G21 K25 I26 H27 G53 S54 D78 P137 G138G21-E23 VanDerWaalsContact CA-OE2 3.29Å; G21-E23 WeakPolarHBondContact CA-OE2 3.31Å; G21-E23 VanDerWaalsContact N-CD 3.3Å; G21-E23 PolarHBondContact N-OE1 2.95Å; G21-E23 PolarHBondContact N-OE2 3.41Å; E23-K25 VanDerWaalsContact C-N 3.35Å; E23-K25 PolarHBondContact O-N 3.12Å; E23-I26 HydrophobicContact CB-CG2 4.16Å; E23-I26 WeakPolarHBondContact O-CG2 3.19Å; E23-I26 PolarHBondContact O-N 3.3Å; E23-H27 PolarHBondContact O-CD2 3.43Å; E23-H27 VanDerWaalsContact O-CD2 3.23Å; E23-H27 PolarHBondContact O-N 2.8Å; E23-G53 WeakPolarHBondContact OE2-CA 3.17Å; E23-G53 PolarHBondContact OE2-N 3.09Å; E23-S54 PolarHBondContact O-OG 3.39Å; E23-S54 VanDerWaalsContact O-OG 3.11Å; E23-D78 HydrophobicContact CG-CB 3.71Å; E23-D78 WeakPolarHBondContact OE1-CB 3.49Å; E23-P137 HydrophobicContact CB-CB 4.11Å; E23-P137 HydrophobicContact CG-CB 3.72Å; E23-G138 PolarHBondContact OE1-N 2.8Å; E23-G138 VanDerWaalsContact OE1-N 3.12Å
24G98.3Very high98.4Very high30 Ų3040 Ų4031%0.30921%0.209SC..Hα-helixtrans-56.5-42.9-173.100000114.2N22 E28 S54N22-G24 PolarHBondContact O-N 2.84Å; N22-G24 VanDerWaalsContact O-N 3.14Å; G24-E28 PolarHBondContact O-N 2.87Å; G24-S54 VanDerWaalsContact CA-OG 3.29Å; G24-S54 WeakPolarHBondContact CA-OG 3.44Å; G24-S54 PolarHBondContact N-OG 2.91Å
25K98.5Very high98.4Very high134 Ų13446 Ų4658%0.58324%0.239SC*.Hα-helixtrans-70.2-41.1-178.2-68.1-179.9-175.7170.70112.4I16 E23 E28 Y29I16-K25 HydrophobicContact CG2-CB 3.76Å; E23-K25 VanDerWaalsContact C-N 3.35Å; E23-K25 PolarHBondContact O-N 3.12Å; K25-E28 PolarHBondContact O-N 3.14Å; K25-Y29 PolarHBondContact O-N 3.26Å
26I98.7Very high98.4Very high0 Ų049.3 Ų49.30%025%0.252CS..Hα-helixtrans-69.4-38.8179-171.2162.4000110.5L13 I16 E23 E28 Y29 L30 K108 I111L13-I26 HydrophobicContact CD2-CD1 4.19Å; L13-I26 HydrophobicContact CD2-CG1 4.3Å; I16-I26 HydrophobicContact CG2-CB 3.89Å; E23-I26 HydrophobicContact CB-CG2 4.16Å; E23-I26 WeakPolarHBondContact O-CG2 3.19Å; E23-I26 PolarHBondContact O-N 3.3Å; I26-E28 VanDerWaalsContact C-N 3.34Å; I26-E28 PolarHBondContact O-N 3.15Å; I26-Y29 WeakPolarHBondContact O-CB 3.42Å; I26-Y29 PolarHBondContact O-N 2.96Å; I26-Y29 VanDerWaalsContact O-N 3.16Å; I26-L30 HydrophobicContact CG1-CD1 4.49Å; I26-L30 HydrophobicContact CG1-CG 4.45Å; I26-L30 VanDerWaalsContact O-CG 3.31Å; I26-L30 WeakPolarHBondContact O-CG 3.42Å; I26-L30 PolarHBondContact O-N 2.77Å; I26-K108 HydrophobicContact CD1-CD 4.13Å; I26-K108 HydrophobicContact CD1-CG 4.16Å; I26-I111 HydrophobicContact CD1-CD1 4.32Å
27H98.6Very high98.4Very high1 Ų149.2 Ų49.21%0.00525%0.251CS..Hα-helixtrans-62.6-38.7173-82.3-118.6000112.7E23 L30 K31 S54 N55 T77E23-H27 PolarHBondContact O-CD2 3.43Å; E23-H27 VanDerWaalsContact O-CD2 3.23Å; E23-H27 PolarHBondContact O-N 2.8Å; H27-L30 PolarHBondContact O-N 3.03Å; H27-K31 WeakPolarHBondContact O-CB 3.46Å; H27-K31 VanDerWaalsContact O-CG 3.29Å; H27-K31 WeakPolarHBondContact O-CG 3.34Å; H27-K31 PolarHBondContact O-N 2.91Å; H27-S54 WeakPolarHBondContact CB-OG 3.29Å; H27-S54 PolarHBondContact CD2-OG 3.01Å; H27-S54 VanDerWaalsContact CD2-OG 3.31Å; H27-S54 VanDerWaalsContact CG-CB 3.4Å; H27-S54 WeakPolarHBondContact ND1-CB 3.28Å; H27-N55 PolarHBondContact CE1-O 3.16Å; H27-N55 PolarHBondContact ND1-O 3.44Å; H27-T77 PolarHBondContact NE2-OG1 3.31Å
28E98.5Very high98.4Very high121 Ų12150 Ų5057%0.56527%0.271SS*.Hα-helixtrans-62.3-43.4172.9-173.4-179.917800111.9G24 K25 I26 N32G24-E28 PolarHBondContact O-N 2.87Å; K25-E28 PolarHBondContact O-N 3.14Å; I26-E28 VanDerWaalsContact C-N 3.34Å; I26-E28 PolarHBondContact O-N 3.15Å; E28-N32 WeakPolarHBondContact O-CB 3.42Å; E28-N32 PolarHBondContact O-N 2.89Å; E28-N32 PolarHBondContact O-ND2 3.08Å
29Y98.7Very high98.4Very high51 Ų5150.6 Ų50.620%0.227%0.274CS..Hα-helixtrans-58.7-50173.8176-87.1000111.3E12 L13 I16 K25 I26 K31 N32 T33E12-Y29 PolarHBondContact OE2-OH 2.85Å; L13-Y29 HydrophobicContact CD2-CD1 3.69Å; L13-Y29 HydrophobicContact CD2-CE1 3.55Å; L13-Y29 HydrophobicContact CG-CE1 4.15Å; I16-Y29 HydrophobicContact CD1-CD1 4.11Å; I16-Y29 HydrophobicContact CD1-CD2 3.64Å; I16-Y29 HydrophobicContact CD1-CE2 4.28Å; I16-Y29 HydrophobicContact CD1-CG 3.53Å; K25-Y29 PolarHBondContact O-N 3.26Å; I26-Y29 WeakPolarHBondContact O-CB 3.42Å; I26-Y29 PolarHBondContact O-N 2.96Å; I26-Y29 VanDerWaalsContact O-N 3.16Å; Y29-K31 PolarHBondContact O-N 3.35Å; Y29-N32 PolarHBondContact O-N 3.49Å; Y29-T33 WeakPolarHBondContact O-CB 3.48Å; Y29-T33 PolarHBondContact O-N 3.44Å; Y29-T33 PolarHBondContact O-OG1 3.48Å; Y29-T33 VanDerWaalsContact O-OG1 3.09Å
30L98.8Very high98.4Very high0 Ų053.5 Ų53.50%029%0.288CS..Hα-helixtrans-59.3-47180-67.8178.1000111.9L13 I26 H27 N32 T33 F34 L57 T77 I111 I115 F135L13-L30 HydrophobicContact CD2-CD2 4.12Å; I26-L30 HydrophobicContact CG1-CD1 4.49Å; I26-L30 HydrophobicContact CG1-CG 4.45Å; I26-L30 VanDerWaalsContact O-CG 3.31Å; I26-L30 WeakPolarHBondContact O-CG 3.42Å; I26-L30 PolarHBondContact O-N 2.77Å; H27-L30 PolarHBondContact O-N 3.03Å; L30-N32 VanDerWaalsContact C-N 3.31Å; L30-N32 PolarHBondContact O-N 3.24Å; L30-T33 PolarHBondContact O-N 3.43Å; L30-T33 VanDerWaalsContact O-N 3.14Å; L30-F34 HydrophobicContact CB-CD2 4.14Å; L30-F34 HydrophobicContact CB-CE2 3.94Å; L30-F34 HydrophobicContact CD2-CE2 3.98Å; L30-F34 HydrophobicContact CD2-CZ 4.44Å; L30-F34 HydrophobicContact CG-CE2 4.43Å; L30-F34 WeakPolarHBondContact O-CD2 3.43Å; L30-F34 PolarHBondContact O-N 2.93Å; L30-L57 HydrophobicContact CB-CD2 3.89Å; L30-L57 HydrophobicContact CD1-CD2 4.34Å; L30-T77 HydrophobicContact CD1-CG2 3.88Å; L30-I111 HydrophobicContact CD1-CD1 4.49Å; L30-I111 HydrophobicContact CD2-CG2 3.48Å; L30-I111 VanDerWaalsContact CD2-CG2 3.48Å; L30-I115 HydrophobicContact CD2-CD1 4.21Å; L30-F135 HydrophobicContact CD1-CB 4.36Å; L30-F135 HydrophobicContact CD1-CD1 4.08Å; L30-F135 HydrophobicContact CD1-CG 4.1Å
31K98.7Very high98.4Very high57 Ų5754.6 Ų54.625%0.24829%0.291CS..Hα-helixtrans-58-44.5176.7-73-172.6-67-161.10111.9H27 Y29 M35 I41 E43 L57H27-K31 WeakPolarHBondContact O-CB 3.46Å; H27-K31 VanDerWaalsContact O-CG 3.29Å; H27-K31 WeakPolarHBondContact O-CG 3.34Å; H27-K31 PolarHBondContact O-N 2.91Å; Y29-K31 PolarHBondContact O-N 3.35Å; K31-M35 WeakPolarHBondContact O-CB 3.41Å; K31-M35 PolarHBondContact O-N 3.24Å; K31-I41 HydrophobicContact CB-CD1 4.43Å; K31-I41 HydrophobicContact CD-CG2 4.48Å; K31-I41 HydrophobicContact CG-CG2 4.23Å; K31-I41 VanDerWaalsContact O-CD1 3.32Å; K31-I41 WeakPolarHBondContact O-CD1 3.21Å; K31-E43 HydrophobicContact CD-CG 4.43Å; K31-E43 WeakPolarHBondContact CD-OE2 3.31Å; K31-E43 IonicContact NZ-OE1 2.82Å; K31-E43 PolarHBondContact NZ-OE1 3.38Å; K31-E43 IonicContact NZ-OE2 3.67Å; K31-E43 PolarHBondContact NZ-OE2 2.88Å; K31-L57 HydrophobicContact CD-CD1 4.23Å; K31-L57 HydrophobicContact CG-CD1 3.88Å; K31-L57 HydrophobicContact CG-CD2 4.14Å
32N98.6Very high98.4Very high74 Ų7455 Ų5540%0.39629%0.288SS..Hα-helixtrans-65.2-39.1177-74.4-39.5000112.4E28 Y29 L30 K36E28-N32 WeakPolarHBondContact O-CB 3.42Å; E28-N32 PolarHBondContact O-N 2.89Å; E28-N32 PolarHBondContact O-ND2 3.08Å; Y29-N32 PolarHBondContact O-N 3.49Å; L30-N32 VanDerWaalsContact C-N 3.31Å; L30-N32 PolarHBondContact O-N 3.24Å; N32-K36 WeakPolarHBondContact O-CD 3.43Å; N32-K36 VanDerWaalsContact O-CG 3.26Å; N32-K36 WeakPolarHBondContact O-CG 3.29Å; N32-K36 PolarHBondContact O-N 2.89Å
33T98.6Very high98.4Very high20 Ų2054.2 Ų54.212%0.12328%0.282CS..Hα-helixtrans-66.2-52.4177.9-650000111Y29 L30 M35 K36 L37 I115Y29-T33 WeakPolarHBondContact O-CB 3.48Å; Y29-T33 PolarHBondContact O-N 3.44Å; Y29-T33 PolarHBondContact O-OG1 3.48Å; Y29-T33 VanDerWaalsContact O-OG1 3.09Å; L30-T33 PolarHBondContact O-N 3.43Å; L30-T33 VanDerWaalsContact O-N 3.14Å; T33-M35 VanDerWaalsContact C-N 3.33Å; T33-M35 PolarHBondContact O-N 3.25Å; T33-K36 WeakPolarHBondContact O-CB 3.23Å; T33-K36 PolarHBondContact O-N 3.42Å; T33-K36 VanDerWaalsContact O-N 3.14Å; T33-L37 HydrophobicContact CG2-CD1 4.38Å; T33-L37 PolarHBondContact O-N 3.39Å; T33-L37 VanDerWaalsContact O-N 3.14Å; T33-I115 HydrophobicContact CG2-CD1 4.21Å; T33-I115 HydrophobicContact CG2-CG1 4.48Å; T33-I115 HydrophobicContact CG2-CG2 4.26Å
34F98.7Very high98.4Very high0 Ų054.7 Ų54.70%028%0.284CS..Hα-helixtrans-68.4-30.5-178.7-65.2-55.1000113.4L30 K36 L37 G38 L39 I41 V59 I115 I118 F135L30-F34 HydrophobicContact CB-CD2 4.14Å; L30-F34 HydrophobicContact CB-CE2 3.94Å; L30-F34 HydrophobicContact CD2-CE2 3.98Å; L30-F34 HydrophobicContact CD2-CZ 4.44Å; L30-F34 HydrophobicContact CG-CE2 4.43Å; L30-F34 WeakPolarHBondContact O-CD2 3.43Å; L30-F34 PolarHBondContact O-N 2.93Å; F34-K36 VanDerWaalsContact C-N 3.35Å; F34-L37 HydrophobicContact CD1-CD1 4.26Å; F34-L37 CarbonylContact O-C 3.24Å; F34-L37 PolarHBondContact O-N 3Å; F34-G38 PolarHBondContact O-N 2.85Å; F34-G38 VanDerWaalsContact O-N 3.14Å; F34-L39 HydrophobicContact CB-CB 4.43Å; F34-L39 HydrophobicContact CD1-CD2 4.27Å; F34-L39 PolarHBondContact O-N 3.33Å; F34-I41 HydrophobicContact CB-CD1 4.06Å; F34-I41 HydrophobicContact CB-CG1 4.29Å; F34-V59 HydrophobicContact CB-CG1 3.75Å; F34-V59 HydrophobicContact CB-CG2 4.43Å; F34-V59 HydrophobicContact CD1-CG1 4.03Å; F34-V59 HydrophobicContact CD2-CB 4.36Å; F34-V59 HydrophobicContact CD2-CG1 4.11Å; F34-V59 HydrophobicContact CD2-CG2 3.62Å; F34-V59 HydrophobicContact CE2-CG2 4.07Å; F34-V59 HydrophobicContact CG-CB 4.43Å; F34-V59 HydrophobicContact CG-CG1 3.7Å; F34-V59 HydrophobicContact CG-CG2 4.08Å; F34-I115 HydrophobicContact CE1-CG1 3.84Å; F34-I115 HydrophobicContact CZ-CD1 4.44Å; F34-I115 HydrophobicContact CZ-CG1 3.82Å; F34-I118 HydrophobicContact CD1-CD1 4.29Å; F34-I118 HydrophobicContact CE1-CD1 3.72Å; F34-F135 HydrophobicContact CD2-CE2 4.31Å; F34-F135 HydrophobicContact CE2-CD2 4.19Å; F34-F135 HydrophobicContact CE2-CE1 4.5Å; F34-F135 AromaticContact CE2-CE2 3.37Å; F34-F135 HydrophobicContact CE2-CE2 3.37Å; F34-F135 AromaticContact CE2-CZ 3.57Å; F34-F135 HydrophobicContact CE2-CZ 3.57Å; F34-F135 HydrophobicContact CZ-CE1 4.4Å; F34-F135 AromaticContact CZ-CE2 3.65Å; F34-F135 HydrophobicContact CZ-CE2 3.65Å; F34-F135 AromaticContact CZ-CZ 3.41Å; F34-F135 HydrophobicContact CZ-CZ 3.41Å; F34-F135 VanDerWaalsContact CZ-CZ 3.41Å
35M98.1Very high98.3Very high127 Ų12759.4 Ų59.463%0.62630%0.302SS*.Hα-helixtrans-63.9-39.8172.1-173.1-177.9-58.700111.7K31 T33 L37 G38 I41K31-M35 WeakPolarHBondContact O-CB 3.41Å; K31-M35 PolarHBondContact O-N 3.24Å; T33-M35 VanDerWaalsContact C-N 3.33Å; T33-M35 PolarHBondContact O-N 3.25Å; M35-L37 VanDerWaalsContact C-N 3.3Å; M35-L37 PolarHBondContact O-N 2.91Å; M35-G38 PolarHBondContact O-N 2.67Å; M35-G38 VanDerWaalsContact O-N 3.12Å; M35-I41 HydrophobicContact CB-CD1 4.12Å
36K98.3Very high98.3Very high175 Ų17553.2 Ų53.276%0.76128%0.275SS*.Hα-helixtrans-67.2-32175.5-70.8166.7-172.7169.70112.5N32 T33 F34 G38N32-K36 WeakPolarHBondContact O-CD 3.43Å; N32-K36 VanDerWaalsContact O-CG 3.26Å; N32-K36 WeakPolarHBondContact O-CG 3.29Å; N32-K36 PolarHBondContact O-N 2.89Å; T33-K36 WeakPolarHBondContact O-CB 3.23Å; T33-K36 PolarHBondContact O-N 3.42Å; T33-K36 VanDerWaalsContact O-N 3.14Å; F34-K36 VanDerWaalsContact C-N 3.35Å; K36-G38 PolarHBondContact O-N 3.43Å
37L98.1Very high98.2Very high30 Ų3057.8 Ų57.816%0.15730%0.295CS..THydrogen-bonded Turntrans-77.5-5.1174-64.1177.2000113.2T33 F34 M35 L39 I118 E119 Q122T33-L37 HydrophobicContact CG2-CD1 4.38Å; T33-L37 PolarHBondContact O-N 3.39Å; T33-L37 VanDerWaalsContact O-N 3.14Å; F34-L37 HydrophobicContact CD1-CD1 4.26Å; F34-L37 CarbonylContact O-C 3.24Å; F34-L37 PolarHBondContact O-N 3Å; M35-L37 VanDerWaalsContact C-N 3.3Å; M35-L37 PolarHBondContact O-N 2.91Å; L37-L39 HydrophobicContact CB-CD1 3.56Å; L37-L39 WeakPolarHBondContact O-CD1 3.21Å; L37-I118 HydrophobicContact CD1-CG2 4.09Å; L37-E119 HydrophobicContact CD1-CG 4.07Å; L37-E119 HydrophobicContact CD2-CG 3.59Å; L37-E119 HydrophobicContact CG-CG 4.49Å; L37-Q122 PolarHBondContact O-NE2 2.96Å
38G98.1Very high98.1Very high66 Ų6666.1 Ų66.168%0.6833%0.334SS*.THydrogen-bonded Turntrans75.325.8176.400000114.2F34 M35 K36F34-G38 PolarHBondContact O-N 2.85Å; F34-G38 VanDerWaalsContact O-N 3.14Å; M35-G38 PolarHBondContact O-N 2.67Å; M35-G38 VanDerWaalsContact O-N 3.12Å; K36-G38 PolarHBondContact O-N 3.43Å
39L98.5Very high97.9Very high14 Ų1467.1 Ų67.17%0.07334%0.344CS..  trans-86.2152.5177.1-78.870.5000110.9F34 L37 V59 K60 L61 I118 F133F34-L39 HydrophobicContact CB-CB 4.43Å; F34-L39 HydrophobicContact CD1-CD2 4.27Å; F34-L39 PolarHBondContact O-N 3.33Å; L37-L39 HydrophobicContact CB-CD1 3.56Å; L37-L39 WeakPolarHBondContact O-CD1 3.21Å; L39-V59 HydrophobicContact CB-CG1 3.55Å; L39-V59 HydrophobicContact CD2-CG1 3.5Å; L39-V59 VanDerWaalsContact CD2-CG1 3.5Å; L39-V59 HydrophobicContact CG-CG1 4.15Å; L39-K60 WeakPolarHBondContact CB-O 3.41Å; L39-L61 HydrophobicContact CD1-CD1 4.24Å; L39-L61 HydrophobicContact CD2-CB 3.94Å; L39-L61 HydrophobicContact CG-CB 4.12Å; L39-L61 HydrophobicContact CG-CD1 4.24Å; L39-I118 HydrophobicContact CD1-CG2 3.95Å; L39-I118 HydrophobicContact CD2-CD1 3.94Å; L39-I118 HydrophobicContact CD2-CG2 4.17Å; L39-F133 HydrophobicContact CD2-CD2 4.31Å; L39-F133 HydrophobicContact CD2-CE2 4.2Å
40E98.5Very high97.9Very high82 Ų8266.3 Ų66.338%0.38334%0.344SS..EExtended strand (participates in β ladder)trans-74.4137.4170.3176.1-174.2159.700109.2V42 V59 K60 H62E40-V42 HydrophobicContact CG-CG2 4.4Å; E40-V59 CarbonylContact O-C 3.59Å; E40-V59 VanDerWaalsContact O-CA 3.3Å; E40-V59 WeakPolarHBondContact O-CA 3.39Å; E40-K60 HydrophobicContact CB-CB 4.2Å; E40-K60 PolarHBondContact N-O 2.98Å; E40-K60 PolarHBondContact O-N 2.91Å; E40-H62 IonicContact OE2-CD2 2.96Å; E40-H62 IonicContact OE2-CE1 3.94Å; E40-H62 PolarHBondContact OE2-CE1 2.67Å; E40-H62 IonicContact OE2-NE2 3.01Å; E40-H62 PolarHBondContact OE2-NE2 2.79Å
41I98.5Very high97.8Very high49 Ų4969.4 Ų69.425%0.25138%0.376SS..EExtended strand (participates in β ladder)trans-123.1129.2-177.7-62.3170.8000108.8K31 F34 M35 L57 V59K31-I41 HydrophobicContact CB-CD1 4.43Å; K31-I41 HydrophobicContact CD-CG2 4.48Å; K31-I41 HydrophobicContact CG-CG2 4.23Å; K31-I41 VanDerWaalsContact O-CD1 3.32Å; K31-I41 WeakPolarHBondContact O-CD1 3.21Å; F34-I41 HydrophobicContact CB-CD1 4.06Å; F34-I41 HydrophobicContact CB-CG1 4.29Å; M35-I41 HydrophobicContact CB-CD1 4.12Å; I41-L57 HydrophobicContact CG2-CD1 3.44Å; I41-L57 VanDerWaalsContact CG2-CD1 3.44Å; I41-V59 HydrophobicContact CG1-CG1 4.47Å; I41-V59 HydrophobicContact CG1-CG2 4.47Å
42V98.1Very high97.8Very high34 Ų3467 Ų6721%0.20637%0.366CS..EExtended strand (participates in β ladder)trans-129.7133.4175.7-175.20000108.3E40 I58 L153E40-V42 HydrophobicContact CG-CG2 4.4Å; V42-I58 HydrophobicContact CB-CB 4.44Å; V42-I58 PolarHBondContact N-O 3.42Å; V42-I58 PolarHBondContact O-N 2.91Å; V42-I58 VanDerWaalsContact O-O 3.1Å; V42-L153 HydrophobicContact CG1-CD1 4.16Å; V42-L153 HydrophobicContact CG1-CD2 4.12Å
43E97.9Very high97.7Very high74 Ų7464 Ų6435%0.34635%0.352SS..EExtended strand (participates in β ladder)trans-110.5144169.4-67.61779500107.8K31 N55 N56 L57K31-E43 HydrophobicContact CD-CG 4.43Å; K31-E43 WeakPolarHBondContact CD-OE2 3.31Å; K31-E43 IonicContact NZ-OE1 2.82Å; K31-E43 PolarHBondContact NZ-OE1 3.38Å; K31-E43 IonicContact NZ-OE2 3.67Å; K31-E43 PolarHBondContact NZ-OE2 2.88Å; E43-N55 HydrophobicContact CB-CB 4.19Å; E43-N56 WeakPolarHBondContact CA-O 3.39Å; E43-L57 HydrophobicContact CG-CD1 3.86Å
44D97.3Very high97.7Very high9 Ų963.4 Ų63.45%0.04835%0.348CS..  trans-78.9-164.2163.673.95.4000110.7S46 N55 N56 L149 D150 L153D44-S46 WeakPolarHBondContact OD1-CB 3.43Å; D44-S46 PolarHBondContact OD1-N 3.33Å; D44-S46 PolarHBondContact OD1-OG 3.32Å; D44-S46 WeakPolarHBondContact OD2-CB 3.12Å; D44-N55 WeakPolarHBondContact O-CB 3.44Å; D44-N55 PolarHBondContact O-ND2 3.12Å; D44-N55 WeakPolarHBondContact OD1-CB 3.42Å; D44-N56 PolarHBondContact N-O 3.37Å; D44-N56 VanDerWaalsContact N-O 3.1Å; D44-N56 PolarHBondContact OD1-N 3.28Å; D44-N56 WeakPolarHBondContact OD2-CB 3.49Å; D44-N56 PolarHBondContact OD2-ND2 2.93Å; D44-L149 WeakPolarHBondContact OD2-CA 3.36Å; D44-D150 HydrophobicContact CB-CB 4.5Å; D44-L153 HydrophobicContact CB-CD1 3.71Å
45N97Very high97.7Very high130 Ų13064.9 Ų64.970%0.69536%0.356SS*.SBendtrans-117.123.1176-60.1-56.8000112.5K47 E48 N55N45-K47 PolarHBondContact O-N 2.94Å; N45-E48 PolarHBondContact O-N 2.95Å; N45-N55 WeakPolarHBondContact CA-OD1 3.29Å
46S97.5Very high97.7Very high3 Ų358.8 Ų58.82%0.02133%0.327CS..Hα-helixtrans-65.9-20.7-171.266.40000114.2D44 E48 D49 T50 N55 N56D44-S46 WeakPolarHBondContact OD1-CB 3.43Å; D44-S46 PolarHBondContact OD1-N 3.33Å; D44-S46 PolarHBondContact OD1-OG 3.32Å; D44-S46 WeakPolarHBondContact OD2-CB 3.12Å; S46-E48 VanDerWaalsContact C-N 3.25Å; S46-E48 PolarHBondContact O-N 3.41Å; S46-D49 PolarHBondContact O-N 2.72Å; S46-T50 WeakPolarHBondContact O-CB 3.3Å; S46-T50 VanDerWaalsContact O-CG2 3.24Å; S46-T50 WeakPolarHBondContact O-CG2 3.11Å; S46-T50 PolarHBondContact O-N 3.45Å; S46-T50 PolarHBondContact O-OG1 3.2Å; S46-N55 PolarHBondContact N-OD1 3.03Å; S46-N56 WeakPolarHBondContact CB-ND2 3.06Å; S46-N56 PolarHBondContact OG-N 2.89Å; S46-N56 PolarHBondContact OG-ND2 3.48Å
47K97.3Very high97.7Very high96 Ų9650.5 Ų50.542%0.41729%0.29SS..Hα-helixtrans-58.9-36.9179.8-175.9172.7179.1165.80112.7N45 D49 G51 L52 G53 N55N45-K47 PolarHBondContact O-N 2.94Å; K47-D49 VanDerWaalsContact C-N 3.35Å; K47-G51 PolarHBondContact O-N 3.12Å; K47-L52 WeakPolarHBondContact CE-O 3.4Å; K47-L52 WeakPolarHBondContact CG-O 3.43Å; K47-G53 WeakPolarHBondContact CE-O 3.39Å; K47-G53 PolarHBondContact NZ-O 2.68Å; K47-N55 WeakPolarHBondContact CB-OD1 3.44Å; K47-N55 PolarHBondContact N-OD1 3.29Å
48E95.8Very high97.8Very high177 Ų17749 Ų4983%0.82728%0.283SS*.Hα-helixtrans-65.2-41-179.4-173.6172.218000111.2N45 S46N45-E48 PolarHBondContact O-N 2.95Å; S46-E48 VanDerWaalsContact C-N 3.25Å; S46-E48 PolarHBondContact O-N 3.41Å
49D95.9Very high97.8Very high142 Ų14245.9 Ų45.976%0.75925%0.25SS*.Hα-helixtrans-81.6-34.9-178.1-64.4-37.6000112.9S46 K47S46-D49 PolarHBondContact O-N 2.72Å; K47-D49 VanDerWaalsContact C-N 3.35Å
50T97.3Very high97.8Very high33 Ų3346.5 Ų46.520%0.20225%0.252CS..Hα-helixtrans-90.4-24.5-173.5600000113.6S46 L52 I144 A148S46-T50 WeakPolarHBondContact O-CB 3.3Å; S46-T50 VanDerWaalsContact O-CG2 3.24Å; S46-T50 WeakPolarHBondContact O-CG2 3.11Å; S46-T50 PolarHBondContact O-N 3.45Å; S46-T50 PolarHBondContact O-OG1 3.2Å; T50-L52 HydrophobicContact CG2-CD1 4.31Å; T50-L52 PolarHBondContact O-N 2.87Å; T50-L52 WeakPolarHBondContact OG1-CG 3.45Å; T50-L52 PolarHBondContact OG1-N 2.8Å; T50-I144 HydrophobicContact CG2-CG2 3.67Å; T50-A148 HydrophobicContact CG2-CB 3.42Å; T50-A148 VanDerWaalsContact CG2-CB 3.42Å
51G97.2Very high97.8Very high65 Ų6543.6 Ų43.667%0.6724%0.24SC*.  trans69.811.9-173.600000114.5K47K47-G51 PolarHBondContact O-N 3.12Å
52L97.8Very high97.7Very high8 Ų846.1 Ų46.14%0.04225%0.25CC..  trans-71.8175.6178.5-65.3171.4000112.4K47 T50 S54 P137 I141 I144K47-L52 WeakPolarHBondContact CE-O 3.4Å; K47-L52 WeakPolarHBondContact CG-O 3.43Å; T50-L52 HydrophobicContact CG2-CD1 4.31Å; T50-L52 PolarHBondContact O-N 2.87Å; T50-L52 WeakPolarHBondContact OG1-CG 3.45Å; T50-L52 PolarHBondContact OG1-N 2.8Å; L52-S54 PolarHBondContact O-N 3.01Å; L52-P137 HydrophobicContact CB-CB 4.34Å; L52-P137 HydrophobicContact CB-CG 4.4Å; L52-P137 HydrophobicContact CD1-CB 3.99Å; L52-P137 HydrophobicContact CD1-CG 3.79Å; L52-I141 HydrophobicContact CD2-CD1 3.82Å; L52-I144 HydrophobicContact CD1-CB 4.1Å; L52-I144 HydrophobicContact CD1-CG2 3.86Å; L52-I144 HydrophobicContact CG-CG2 4.34Å
53G97.5Very high97.5Very high10 Ų1044.7 Ų44.710%0.10324%0.242CC..SBendtrans-71.1-20.2179.500000113.6G21 E23 K47G21-G53 VanDerWaalsContact O-CA 3.28Å; G21-G53 WeakPolarHBondContact O-CA 3.42Å; G21-G53 PolarHBondContact O-N 2.69Å; G21-G53 VanDerWaalsContact O-N 3.15Å; E23-G53 WeakPolarHBondContact OE2-CA 3.17Å; E23-G53 PolarHBondContact OE2-N 3.09Å; K47-G53 WeakPolarHBondContact CE-O 3.39Å; K47-G53 PolarHBondContact NZ-O 2.68Å
54S98.2Very high97.3Very high7 Ų748.8 Ų48.85%0.04926%0.259CS..SBendtrans-149.3164.7-172.1-63.50000112.7E23 G24 H27 L52 P137E23-S54 PolarHBondContact O-OG 3.39Å; E23-S54 VanDerWaalsContact O-OG 3.11Å; G24-S54 VanDerWaalsContact CA-OG 3.29Å; G24-S54 WeakPolarHBondContact CA-OG 3.44Å; G24-S54 PolarHBondContact N-OG 2.91Å; H27-S54 WeakPolarHBondContact CB-OG 3.29Å; H27-S54 PolarHBondContact CD2-OG 3.01Å; H27-S54 VanDerWaalsContact CD2-OG 3.31Å; H27-S54 VanDerWaalsContact CG-CB 3.4Å; H27-S54 WeakPolarHBondContact ND1-CB 3.28Å; L52-S54 PolarHBondContact O-N 3.01Å; S54-P137 WeakPolarHBondContact O-CG 3.41Å
55N98.5Very high97.2Very high31 Ų3150.5 Ų50.517%0.16627%0.268CS..  trans-76.9172.8163.7-73.6-36.1000109.6H27 E43 D44 N45 S46 K47H27-N55 PolarHBondContact CE1-O 3.16Å; H27-N55 PolarHBondContact ND1-O 3.44Å; E43-N55 HydrophobicContact CB-CB 4.19Å; D44-N55 WeakPolarHBondContact O-CB 3.44Å; D44-N55 PolarHBondContact O-ND2 3.12Å; D44-N55 WeakPolarHBondContact OD1-CB 3.42Å; N45-N55 WeakPolarHBondContact CA-OD1 3.29Å; S46-N55 PolarHBondContact N-OD1 3.03Å; K47-N55 WeakPolarHBondContact CB-OD1 3.44Å; K47-N55 PolarHBondContact N-OD1 3.29Å
56N98.8Very high96.9Very high0 Ų052 Ų520%026%0.264CS..  trans-72.1140.2160.7-60.6-80.3000109.5E43 D44 S46 S136 P137 G145 L149E43-N56 WeakPolarHBondContact CA-O 3.39Å; D44-N56 PolarHBondContact N-O 3.37Å; D44-N56 VanDerWaalsContact N-O 3.1Å; D44-N56 PolarHBondContact OD1-N 3.28Å; D44-N56 WeakPolarHBondContact OD2-CB 3.49Å; D44-N56 PolarHBondContact OD2-ND2 2.93Å; S46-N56 WeakPolarHBondContact CB-ND2 3.06Å; S46-N56 PolarHBondContact OG-N 2.89Å; S46-N56 PolarHBondContact OG-ND2 3.48Å; N56-S136 WeakPolarHBondContact OD1-CA 3.37Å; N56-P137 WeakPolarHBondContact OD1-CD 3.36Å; N56-G145 PolarHBondContact ND2-O 3.07Å; N56-G145 VanDerWaalsContact OD1-C 3.22Å; N56-G145 PolarHBondContact OD1-O 3.22Å; N56-L149 HydrophobicContact CB-CD1 3.53Å; N56-L149 HydrophobicContact CB-CG 4.48Å; N56-L149 WeakPolarHBondContact ND2-CA 3.34Å
57L98.7Very high96.7Very high0 Ų058.9 Ų58.90%030%0.3CS..EExtended strand (participates in β ladder)trans-113.2124-178171.470.6000109.7L30 K31 I41 E43 V59 V134 F135L30-L57 HydrophobicContact CB-CD2 3.89Å; L30-L57 HydrophobicContact CD1-CD2 4.34Å; K31-L57 HydrophobicContact CD-CD1 4.23Å; K31-L57 HydrophobicContact CG-CD1 3.88Å; K31-L57 HydrophobicContact CG-CD2 4.14Å; I41-L57 HydrophobicContact CG2-CD1 3.44Å; I41-L57 VanDerWaalsContact CG2-CD1 3.44Å; E43-L57 HydrophobicContact CG-CD1 3.86Å; L57-V59 HydrophobicContact CD1-CG2 4.26Å; L57-V59 HydrophobicContact CD2-CG2 4.3Å; L57-V59 HydrophobicContact CG-CG2 3.98Å; L57-V134 CarbonylContact O-C 3.51Å; L57-V134 WeakPolarHBondContact O-CA 3.41Å; L57-F135 HydrophobicContact CB-CB 4.12Å; L57-F135 HydrophobicContact CD2-CB 4.4Å; L57-F135 HydrophobicContact CD2-CD2 4.04Å; L57-F135 HydrophobicContact CG-CD2 4.18Å; L57-F135 PolarHBondContact N-O 3.16Å; L57-F135 PolarHBondContact O-N 3.12Å
58I98.7Very high96.5Very high0 Ų056.2 Ų56.20%029%0.289CS..EExtended strand (participates in β ladder)trans-115.9121.5178.1-5581.7000108.2V42 K60 F133 L149 L153V42-I58 HydrophobicContact CB-CB 4.44Å; V42-I58 PolarHBondContact N-O 3.42Å; V42-I58 PolarHBondContact O-N 2.91Å; V42-I58 VanDerWaalsContact O-O 3.1Å; I58-K60 HydrophobicContact CG2-CG 4.39Å; I58-F133 CarbonylContact C-O 3.59Å; I58-F133 WeakPolarHBondContact CA-O 3.32Å; I58-L149 HydrophobicContact CD1-CD1 3.89Å; I58-L149 HydrophobicContact CG1-CD1 4.45Å; I58-L153 HydrophobicContact CD1-CB 4.15Å; I58-L153 HydrophobicContact CD1-CD1 3.82Å; I58-L153 HydrophobicContact CG1-CB 4.22Å
59V98.7Very high96.4Very high0 Ų052.4 Ų52.40%027%0.273CS..EExtended strand (participates in β ladder)trans-116.6135.6-178.5-174.90000109.2F34 L39 E40 I41 L57 E132 F133 F135F34-V59 HydrophobicContact CB-CG1 3.75Å; F34-V59 HydrophobicContact CB-CG2 4.43Å; F34-V59 HydrophobicContact CD1-CG1 4.03Å; F34-V59 HydrophobicContact CD2-CB 4.36Å; F34-V59 HydrophobicContact CD2-CG1 4.11Å; F34-V59 HydrophobicContact CD2-CG2 3.62Å; F34-V59 HydrophobicContact CE2-CG2 4.07Å; F34-V59 HydrophobicContact CG-CB 4.43Å; F34-V59 HydrophobicContact CG-CG1 3.7Å; F34-V59 HydrophobicContact CG-CG2 4.08Å; L39-V59 HydrophobicContact CB-CG1 3.55Å; L39-V59 HydrophobicContact CD2-CG1 3.5Å; L39-V59 VanDerWaalsContact CD2-CG1 3.5Å; L39-V59 HydrophobicContact CG-CG1 4.15Å; E40-V59 CarbonylContact O-C 3.59Å; E40-V59 VanDerWaalsContact O-CA 3.3Å; E40-V59 WeakPolarHBondContact O-CA 3.39Å; I41-V59 HydrophobicContact CG1-CG1 4.47Å; I41-V59 HydrophobicContact CG1-CG2 4.47Å; L57-V59 HydrophobicContact CD1-CG2 4.26Å; L57-V59 HydrophobicContact CD2-CG2 4.3Å; L57-V59 HydrophobicContact CG-CG2 3.98Å; V59-E132 CarbonylContact O-C 3.48Å; V59-E132 WeakPolarHBondContact O-CA 2.91Å; V59-F133 HydrophobicContact CB-CB 4.32Å; V59-F133 PolarHBondContact N-O 3.23Å; V59-F133 PolarHBondContact O-N 3.01Å; V59-F135 HydrophobicContact CB-CE2 4.34Å; V59-F135 HydrophobicContact CG2-CD2 4.13Å; V59-F135 HydrophobicContact CG2-CE2 3.88Å
60K98.6Very high96.4Very high26 Ų2647.4 Ų47.411%0.11325%0.249CC..EExtended strand (participates in β ladder)trans-123.8126-173.7-48.5-173.2176.7-169.80111.6L39 E40 I58 L131 E132 L153 N155L39-K60 WeakPolarHBondContact CB-O 3.41Å; E40-K60 HydrophobicContact CB-CB 4.2Å; E40-K60 PolarHBondContact N-O 2.98Å; E40-K60 PolarHBondContact O-N 2.91Å; I58-K60 HydrophobicContact CG2-CG 4.39Å; K60-L131 WeakPolarHBondContact CA-O 3.27Å; K60-E132 HydrophobicContact CD-CG 4.43Å; K60-E132 HydrophobicContact CG-CG 4.21Å; K60-E132 IonicContact NZ-OE1 3.09Å; K60-E132 PolarHBondContact NZ-OE1 3Å; K60-L153 WeakPolarHBondContact CE-O 3.26Å; K60-L153 PolarHBondContact NZ-O 3.33Å; K60-N155 PolarHBondContact NZ-ND2 2.99Å
61L98.2Very high96.4Very high22 Ų2245.8 Ų45.812%0.11524%0.239CC..EExtended strand (participates in β ladder)trans-103110.9167.5178.263.1000108.7L39 G63 I121 L131 F133L39-L61 HydrophobicContact CD1-CD1 4.24Å; L39-L61 HydrophobicContact CD2-CB 3.94Å; L39-L61 HydrophobicContact CG-CB 4.12Å; L39-L61 HydrophobicContact CG-CD1 4.24Å; L61-G63 PolarHBondContact O-N 2.98Å; L61-I121 HydrophobicContact CD2-CG2 4.21Å; L61-L131 HydrophobicContact CB-CB 4.34Å; L61-L131 HydrophobicContact CD2-CD1 4.26Å; L61-L131 PolarHBondContact N-O 3.24Å; L61-L131 PolarHBondContact O-N 2.93Å; L61-F133 HydrophobicContact CB-CE2 4.09Å
62H96.7Very high96.5Very high101 Ų10142.7 Ų42.747%0.46821%0.207SC..  trans-71.7116.6179.2-68.8-71.7000111.1E40 D130E40-H62 IonicContact OE2-CD2 2.96Å; E40-H62 IonicContact OE2-CE1 3.94Å; E40-H62 PolarHBondContact OE2-CE1 2.67Å; E40-H62 IonicContact OE2-NE2 3.01Å; E40-H62 PolarHBondContact OE2-NE2 2.79Å; H62-D130 WeakPolarHBondContact CA-OD1 3.31Å; H62-D130 IonicContact ND1-OD1 2.97Å
63G93.9Very high96.5Very high4 Ų442.3 Ų42.34%0.04121%0.205CC..  trans-72.8160.7-179.400000113.2L61 T128 G129 D130L61-G63 PolarHBondContact O-N 2.98Å; G63-T128 CarbonylContact C-O 3.47Å; G63-T128 VanDerWaalsContact CA-O 3.29Å; G63-T128 WeakPolarHBondContact CA-O 3.46Å; G63-G129 WeakPolarHBondContact CA-O 3.18Å; G63-D130 PolarHBondContact N-OD1 3.3Å
64K93.1Very high96.6Very high161 Ų16141.9 Ų41.970%0.720%0.2SC*.SBendtrans-89.4-24.1175.4-66.4178.3-174.6168.10112.5T127 T128K64-T127 HydrophobicContact CB-CG2 4.38Å; K64-T128 PolarHBondContact N-O 3.4Å; K64-T128 VanDerWaalsContact N-O 3.09Å
65D95.4Very high96.6Very high44 Ų4441.5 Ų41.524%0.23520%0.198CC..  trans-101.5102.9-179.7-171.4-5.2000111.2N67 K68 T127 T128D65-N67 PolarHBondContact O-N 2.58Å; D65-N67 WeakPolarHBondContact OD1-CB 3.25Å; D65-N67 PolarHBondContact OD1-N 2.95Å; D65-N67 PolarHBondContact OD1-ND2 3Å; D65-N67 VanDerWaalsContact OD1-ND2 3.09Å; D65-K68 HydrophobicContact CB-CD 3.99Å; D65-K68 HydrophobicContact CB-CG 4Å; D65-K68 PolarHBondContact O-N 2.97Å; D65-K68 WeakPolarHBondContact OD2-CE 3.35Å; D65-T127 HydrophobicContact CB-CG2 3.78Å; D65-T128 PolarHBondContact N-O 3.35Å; D65-T128 VanDerWaalsContact N-O 3.09Å
66R91.4Very high96.6Very high163 Ų16340.1 Ų40.162%0.61519%0.19SC*.THydrogen-bonded Turntrans-75.7-6-179.3-59.4-61.9-179.3-171.9-7.3113.8K68 D130R66-K68 VanDerWaalsContact C-N 3.34Å; R66-D130 IonicContact CZ-OD1 3.83Å; R66-D130 VanDerWaalsContact NH1-CG 3.3Å; R66-D130 IonicContact NH1-OD1 3.69Å; R66-D130 PolarHBondContact NH1-OD1 3.21Å; R66-D130 IonicContact NH1-OD2 2.76Å; R66-D130 PolarHBondContact NH1-OD2 3.23Å
67N93.6Very high96.6Very high147 Ų14740.1 Ų40.179%0.78619%0.19SC*.THydrogen-bonded Turntrans-84.9-14.4174.4-53.8-63.4000112.2D65D65-N67 PolarHBondContact O-N 2.58Å; D65-N67 WeakPolarHBondContact OD1-CB 3.25Å; D65-N67 PolarHBondContact OD1-N 2.95Å; D65-N67 PolarHBondContact OD1-ND2 3Å; D65-N67 VanDerWaalsContact OD1-ND2 3.09Å
68K93.5Very high96.6Very high40 Ų4040.1 Ų40.117%0.17419%0.19CC..SBendtrans-81.4135.6177.5-66.3-172.5173.1-175.50110.2D65 R66 T127 E367 A369D65-K68 HydrophobicContact CB-CD 3.99Å; D65-K68 HydrophobicContact CB-CG 4Å; D65-K68 PolarHBondContact O-N 2.97Å; D65-K68 WeakPolarHBondContact OD2-CE 3.35Å; R66-K68 VanDerWaalsContact C-N 3.34Å; K68-T127 PolarHBondContact NZ-O 2.82Å; K68-E367 PolarHBondContact NZ-O 3.09Å; K68-A369 WeakPolarHBondContact CB-O 3.41Å; K68-A369 WeakPolarHBondContact CD-O 3.46Å; K68-A369 WeakPolarHBondContact CG-O 3.42Å
69L92.2Very high96.6Very high96 Ų9640.1 Ų40.150%0.50319%0.191SC..PPolyproline II helixtrans-64.9142.8172.3-66.8176.7000110.4
70P96.3Very high96.6Very high37 Ų3741.5 Ų41.524%0.2420%0.199CC..PPolyproline II helixtrans-60.4140.1172.2-21.332.2000111.4D130 A156P70-D130 VanDerWaalsContact CA-O 3.27Å; P70-D130 WeakPolarHBondContact CA-O 3.48Å; P70-D130 HydrophobicContact CB-CB 4.3Å; P70-D130 HydrophobicContact CG-CB 4.45Å; P70-A156 HydrophobicContact CB-CB 3.97Å; P70-A156 WeakPolarHBondContact O-CB 3.37Å
71L98.2Very high96.5Very high0 Ų044.1 Ų44.10%022%0.22CC..EExtended strand (participates in β ladder)trans-123.9141.3176.5170.963.5000108.6F73 D130 L131 E132 Y160 L365 A369L71-F73 HydrophobicContact CD2-CE2 3.7Å; L71-F73 HydrophobicContact CD2-CZ 3.59Å; L71-F73 HydrophobicContact CG-CE2 3.96Å; L71-F73 HydrophobicContact CG-CZ 4.22Å; L71-D130 PolarHBondContact N-O 3.26Å; L71-D130 VanDerWaalsContact N-O 3.12Å; L71-L131 HydrophobicContact CB-CD2 4.19Å; L71-L131 WeakPolarHBondContact O-CA 3.11Å; L71-E132 PolarHBondContact O-N 3.12Å; L71-Y160 HydrophobicContact CD1-CD2 3.77Å; L71-Y160 HydrophobicContact CD1-CE2 3.68Å; L71-Y160 HydrophobicContact CD2-CD2 4.36Å; L71-Y160 HydrophobicContact CD2-CE2 4.13Å; L71-L365 HydrophobicContact CD2-CB 4.28Å; L71-L365 WeakPolarHBondContact CD2-O 2.93Å; L71-A369 HydrophobicContact CB-CB 4.15Å; L71-A369 HydrophobicContact CD2-CB 4.45Å
72F98.5Very high96.5Very high0 Ų046 Ų460%023%0.234CC..EExtended strand (participates in β ladder)trans-116.7154.6171.482.4-85.7000113.8E132 V134 I154 A156 S158 G159 Y160 F326 K331 V333F72-E132 CarbonylContact C-O 3.48Å; F72-E132 WeakPolarHBondContact CA-O 3.41Å; F72-E132 HydrophobicContact CB-CB 3.85Å; F72-E132 WeakPolarHBondContact CB-O 3.47Å; F72-V134 HydrophobicContact CD2-CG2 3.93Å; F72-V134 HydrophobicContact CE2-CG2 4.5Å; F72-I154 HydrophobicContact CB-CG2 4.22Å; F72-I154 HydrophobicContact CD1-CG2 3.94Å; F72-I154 HydrophobicContact CE1-CG2 4.42Å; F72-I154 HydrophobicContact CG-CG2 4.05Å; F72-A156 HydrophobicContact CB-CB 3.95Å; F72-A156 HydrophobicContact CD1-CB 3.75Å; F72-A156 HydrophobicContact CG-CB 4.34Å; F72-S158 VanDerWaalsContact CD1-O 3.25Å; F72-S158 WeakPolarHBondContact CD1-O 3.48Å; F72-S158 PolarHBondContact N-O 3.21Å; F72-G159 CarbonylContact O-C 3.56Å; F72-G159 WeakPolarHBondContact O-CA 3.49Å; F72-Y160 PolarHBondContact O-N 2.86Å; F72-F326 HydrophobicContact CE2-CD1 4.02Å; F72-F326 HydrophobicContact CE2-CD2 4.13Å; F72-F326 AromaticContact CE2-CE1 3.94Å; F72-F326 HydrophobicContact CE2-CE1 3.94Å; F72-F326 HydrophobicContact CE2-CE2 4.03Å; F72-F326 HydrophobicContact CE2-CG 4.16Å; F72-F326 AromaticContact CE2-CZ 3.97Å; F72-F326 HydrophobicContact CE2-CZ 3.97Å; F72-F326 HydrophobicContact CZ-CB 4.35Å; F72-F326 AromaticContact CZ-CD1 3.86Å; F72-F326 HydrophobicContact CZ-CD1 3.86Å; F72-F326 HydrophobicContact CZ-CD2 4.25Å; F72-F326 HydrophobicContact CZ-CE1 4.23Å; F72-F326 AromaticContact CZ-CG 3.91Å; F72-F326 HydrophobicContact CZ-CG 3.91Å; F72-K331 HydrophobicContact CE1-CB 4.17Å; F72-K331 HydrophobicContact CE1-CD 4.49Å; F72-K331 HydrophobicContact CE1-CG 4.32Å; F72-K331 HydrophobicContact CZ-CB 4.32Å; F72-K331 HydrophobicContact CZ-CG 4.43Å; F72-V333 HydrophobicContact CE1-CG2 3.88Å; F72-V333 HydrophobicContact CE2-CG2 4.38Å; F72-V333 HydrophobicContact CZ-CG2 3.42Å; F72-V333 VanDerWaalsContact CZ-CG2 3.42Å
73F98.8Very high96.5Very high0 Ų041.1 Ų41.10%021%0.211CC..EExtended strand (participates in β ladder)trans-121.1149.6167.5-60.9-93.3000108.9L71 I114 E132 F133 V134 Y160 L162 V362 L365 A366L71-F73 HydrophobicContact CD2-CE2 3.7Å; L71-F73 HydrophobicContact CD2-CZ 3.59Å; L71-F73 HydrophobicContact CG-CE2 3.96Å; L71-F73 HydrophobicContact CG-CZ 4.22Å; F73-I114 HydrophobicContact CB-CD1 3.96Å; F73-I114 HydrophobicContact CB-CG1 4.4Å; F73-E132 PolarHBondContact N-O 2.81Å; F73-F133 HydrophobicContact CB-CD1 4.03Å; F73-F133 HydrophobicContact CB-CE1 4.44Å; F73-F133 HydrophobicContact CD2-CD1 4.16Å; F73-F133 AromaticContact CD2-CE1 3.79Å; F73-F133 HydrophobicContact CD2-CE1 3.79Å; F73-F133 HydrophobicContact CG-CE1 4.44Å; F73-F133 CarbonylContact O-C 3.57Å; F73-F133 WeakPolarHBondContact O-CA 3.12Å; F73-V134 PolarHBondContact O-N 2.96Å; F73-Y160 CarbonylContact C-O 3.55Å; F73-Y160 WeakPolarHBondContact CA-O 3.44Å; F73-Y160 HydrophobicContact CD1-CD2 4.35Å; F73-Y160 AromaticContact CE1-CD2 3.82Å; F73-Y160 HydrophobicContact CE1-CD2 3.82Å; F73-Y160 HydrophobicContact CE1-CG 4.36Å; F73-Y160 HydrophobicContact CZ-CD2 4.35Å; F73-L162 HydrophobicContact CD1-CD2 4.49Å; F73-V362 HydrophobicContact CD1-CG1 4.25Å; F73-V362 HydrophobicContact CD1-CG2 4.3Å; F73-V362 HydrophobicContact CE1-CB 4.28Å; F73-V362 HydrophobicContact CE1-CG1 3.9Å; F73-V362 HydrophobicContact CE1-CG2 4.08Å; F73-V362 HydrophobicContact CE2-CG1 4.17Å; F73-V362 HydrophobicContact CZ-CG1 3.85Å; F73-L365 HydrophobicContact CE1-CB 4.25Å; F73-L365 HydrophobicContact CE1-CD1 4.13Å; F73-L365 HydrophobicContact CZ-CB 3.92Å; F73-A366 HydrophobicContact CE2-CB 4.49Å
74S98.8Very high96.7Very high0 Ų045.9 Ų45.90%023%0.231CC..EExtended strand (participates in β ladder)trans-133.6141.2178.6-1650000111.5V134 Y160 V161 L162 F326S74-V134 VanDerWaalsContact CA-O 3.27Å; S74-V134 WeakPolarHBondContact CA-O 3.29Å; S74-V134 PolarHBondContact OG-O 3.38Å; S74-Y160 PolarHBondContact N-O 3.35Å; S74-V161 WeakPolarHBondContact O-CA 3.04Å; S74-L162 PolarHBondContact O-N 2.99Å; S74-F326 WeakPolarHBondContact OG-CE2 3.37Å; S74-F326 WeakPolarHBondContact OG-CZ 3.41Å
75C98.8Very high96.9Very high0 Ų040.7 Ų40.70%022%0.223CC..EExtended strand (participates in β ladder)trans-135.8148168.6-710000109.3D107 G110 I111 I114 V134 F135 S136C75-D107 WeakPolarHBondContact CA-OD2 2.94Å; C75-D107 WeakPolarHBondContact CB-OD2 3.25Å; C75-D107 PolarHBondContact SG-OD2 3.03Å; C75-G110 VanDerWaalsContact SG-CA 3.5Å; C75-I111 HydrophobicContact CB-CG1 3.75Å; C75-I114 VanDerWaalsContact SG-CD1 3.57Å; C75-V134 PolarHBondContact N-O 3.38Å; C75-F135 HydrophobicContact CB-CD1 4.22Å; C75-F135 HydrophobicContact CB-CE1 4.36Å; C75-F135 VanDerWaalsContact O-CA 3.26Å; C75-F135 WeakPolarHBondContact O-CA 3.31Å; C75-S136 PolarHBondContact O-N 3.31Å; C75-S136 VanDerWaalsContact O-N 3.17Å
76H98.7Very high97.1Very high1 Ų138.8 Ų38.81%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-85.6166165.672.381.6000110.7D78 D106 D107 I111 S136 E139 E140 D163H76-D78 PolarHBondContact CE1-O 3.2Å; H76-D78 PolarHBondContact ND1-O 3.38Å; H76-D78 IonicContact ND1-OD1 2.67Å; H76-D106 IonicContact CD2-OD1 3.45Å; H76-D106 IonicContact CE1-OD1 3.84Å; H76-D106 PolarHBondContact CE1-OD1 3.15Å; H76-D106 IonicContact NE2-OD1 2.8Å; H76-D106 PolarHBondContact NE2-OD1 3.27Å; H76-D107 VanDerWaalsContact CD2-CB 3.45Å; H76-D107 WeakPolarHBondContact CD2-CB 3.11Å; H76-D107 PolarHBondContact CE1-N 2.99Å; H76-D107 PolarHBondContact N-OD2 3.34Å; H76-D107 VanDerWaalsContact NE2-CB 3.31Å; H76-D107 WeakPolarHBondContact NE2-CB 3.31Å; H76-I111 WeakPolarHBondContact O-CD1 3.29Å; H76-S136 CarbonylContact C-O 3.44Å; H76-S136 WeakPolarHBondContact CA-O 3.2Å; H76-S136 WeakPolarHBondContact CA-OG 3.35Å; H76-S136 WeakPolarHBondContact CB-OG 3.36Å; H76-E139 HydrophobicContact CB-CB 3.4Å; H76-E139 HydrophobicContact CB-CG 3.87Å; H76-E140 IonicContact CE1-OE1 3.45Å; H76-D163 IonicContact CD2-OD1 3.66Å; H76-D163 IonicContact CD2-OD2 2.99Å; H76-D163 IonicContact NE2-OD1 3.94Å; H76-D163 PolarHBondContact NE2-OD1 3.36Å
77T98.8Very high97.4Very high0 Ų035.8 Ų35.80%021%0.205CC..  trans-122.8-13.3-17153.60000113.5S18 H27 L30 I111 F135 S136S18-T77 WeakPolarHBondContact CB-O 3.29Å; S18-T77 PolarHBondContact OG-O 3.35Å; H27-T77 PolarHBondContact NE2-OG1 3.31Å; L30-T77 HydrophobicContact CD1-CG2 3.88Å; T77-I111 HydrophobicContact CG2-CD1 3.98Å; T77-F135 HydrophobicContact CG2-CB 3.76Å; T77-F135 HydrophobicContact CG2-CD1 4.36Å; T77-F135 HydrophobicContact CG2-CG 4.49Å; T77-S136 PolarHBondContact N-O 3.21Å; T77-S136 PolarHBondContact OG1-O 3.42Å
78D98.7Very high97.6Very high0 Ų030.1 Ų30.10%018%0.176CC..  trans-81.4174.6173.759.2-57.2000112.3S18 S20 E23 H76 G138 E139 E140S18-D78 CarbonylContact O-C 3.41Å; S18-D78 WeakPolarHBondContact O-CA 3Å; S20-D78 WeakPolarHBondContact CB-OD2 3.27Å; S20-D78 PolarHBondContact OG-OD2 2.97Å; E23-D78 HydrophobicContact CG-CB 3.71Å; E23-D78 WeakPolarHBondContact OE1-CB 3.49Å; H76-D78 PolarHBondContact CE1-O 3.2Å; H76-D78 PolarHBondContact ND1-O 3.38Å; H76-D78 IonicContact ND1-OD1 2.67Å; D78-G138 WeakPolarHBondContact OD1-CA 3.45Å; D78-G138 PolarHBondContact OD1-N 3.3Å; D78-G138 VanDerWaalsContact OD2-CA 3.26Å; D78-G138 WeakPolarHBondContact OD2-CA 3.18Å; D78-E139 PolarHBondContact OD1-N 3.09Å; D78-E139 PolarHBondContact OD2-N 2.93Å; D78-E140 WeakPolarHBondContact OD2-CB 3.39Å; D78-E140 WeakPolarHBondContact OD2-CG 3.46Å; D78-E140 PolarHBondContact OD2-N 2.89Å; D78-E140 VanDerWaalsContact OD2-N 3.08Å
79T98.4Very high97.8Very high1 Ų130.7 Ų30.71%0.00618%0.181CC..BIsolated β-bridgetrans-141.7154.3174.567.20000109.4S18 E19 S20 K108S18-T79 PolarHBondContact O-N 2.87Å; E19-T79 VanDerWaalsContact CA-O 3.27Å; E19-T79 WeakPolarHBondContact CA-O 3.38Å; S20-T79 PolarHBondContact N-O 3.19Å; S20-T79 PolarHBondContact OG-O 3.44Å; T79-K108 HydrophobicContact CG2-CD 4.35Å
80V97.9Very high98Very high29 Ų2931.5 Ų31.518%0.17618%0.182CC..  trans-66.9167.1164.6-59.90000112.6G83 I102 E140 H344V80-G83 PolarHBondContact O-N 2.95Å; V80-I102 HydrophobicContact CG2-CD1 3.78Å; V80-I102 HydrophobicContact CG2-CG2 4.1Å; V80-I102 VanDerWaalsContact O-CD1 3.28Å; V80-I102 WeakPolarHBondContact O-CD1 3.31Å; V80-E140 HydrophobicContact CG1-CB 3.99Å; V80-E140 VanDerWaalsContact CG1-CD 3.49Å; V80-E140 HydrophobicContact CG1-CG 4.02Å; V80-E140 WeakPolarHBondContact CG1-OE2 3.38Å; V80-H344 HydrophobicContact CG2-CB 4.04Å
81S97.4Very high98Very high80 Ų8036.2 Ų36.256%0.55920%0.201SC*.SBendtrans-84.6149.6166.8-71.90000111.8E19E19-S81 WeakPolarHBondContact OE1-CA 3.39Å; E19-S81 WeakPolarHBondContact OE1-CB 3.26Å; E19-S81 PolarHBondContact OE1-OG 3.12Å; E19-S81 PolarHBondContact OE2-OG 3.44Å
82P97.6Very high98Very high61 Ų6142.7 Ų42.740%0.39625%0.246SC..SBendcis-85.3101.8-2.730.8-32.2000112.6T101 I102 T346P82-T101 CarbonylContact O-C 3.6Å; P82-T101 VanDerWaalsContact O-CA 3.25Å; P82-T101 WeakPolarHBondContact O-CA 3.36Å; P82-T101 WeakPolarHBondContact O-CB 3.31Å; P82-I102 PolarHBondContact O-N 2.99Å; P82-T346 HydrophobicContact CG-CG2 4.18Å
83G97.1Very high97.9Very high0 Ų044 Ų440%026%0.26CS..  trans-110.915.5-171.800000115.2E19 V80E19-G83 PolarHBondContact OE1-N 2.96Å; V80-G83 PolarHBondContact O-N 2.95Å
84K97.9Very high97.9Very high104 Ų10447 Ų4745%0.45228%0.275SS..SBendtrans-106136.5-178.7-72.9171.6173.6140.10111.9D17 E19 T101D17-K84 HydrophobicContact CB-CG 4.14Å; D17-K84 WeakPolarHBondContact OD1-CA 3.3Å; E19-K84 HydrophobicContact CG-CG 4.05Å; E19-K84 WeakPolarHBondContact OE2-CD 3.21Å; E19-K84 WeakPolarHBondContact OE2-CE 3.43Å; E19-K84 IonicContact OE2-NZ 3.44Å; E19-K84 PolarHBondContact OE2-NZ 3.01Å; K84-T101 WeakPolarHBondContact O-CG2 3.43Å
85G97.6Very high97.9Very high51 Ų5147 Ų4753%0.52628%0.275SS..SBendtrans69.835.9177.300000113.4D17 E87D17-G85 PolarHBondContact OD1-N 2.85Å; G85-E87 PolarHBondContact O-N 2.94Å
86I98.2Very high97.9Very high4 Ų448.5 Ų48.52%0.02129%0.285CS..  trans-62.1123.6-176.3-58.2-179.8000110.4V14 Q15 V88 I102 L103V14-I86 HydrophobicContact CB-CG2 4.37Å; V14-I86 HydrophobicContact CG2-CG2 4.32Å; Q15-I86 WeakPolarHBondContact CG-O 3.46Å; I86-V88 HydrophobicContact CG2-CG2 4.36Å; I86-I102 HydrophobicContact CD1-CG1 4.25Å; I86-L103 WeakPolarHBondContact CD1-O 3.3Å
87E97.8Very high97.8Very high100 Ų10048.7 Ų48.747%0.46729%0.287SS..  trans-108.5116.7170.8-67.7-165.9-89.400109.9G85 S97 K98G85-E87 PolarHBondContact O-N 2.94Å; E87-S97 CarbonylContact O-C 3.55Å; E87-S97 WeakPolarHBondContact O-CA 3.39Å; E87-K98 HydrophobicContact CB-CD 3.7Å; E87-K98 HydrophobicContact CB-CG 3.97Å; E87-K98 HydrophobicContact CG-CD 4.45Å; E87-K98 PolarHBondContact O-N 3.43Å; E87-K98 IonicContact OE1-NZ 2.97Å; E87-K98 PolarHBondContact OE1-NZ 2.92Å; E87-K98 WeakPolarHBondContact OE2-CE 3.43Å; E87-K98 IonicContact OE2-NZ 2.67Å; E87-K98 PolarHBondContact OE2-NZ 3.46Å
88V98Very high97.6Very high28 Ų2854.3 Ų54.317%0.1731%0.311CS..EExtended strand (participates in β ladder)trans-85.8139.4-177.5-172.70000110.9I11 V14 I86 L95 S96 L103I11-V88 HydrophobicContact CG1-CB 4.31Å; I11-V88 HydrophobicContact CG1-CG1 4.13Å; I11-V88 HydrophobicContact CG1-CG2 4.35Å; I11-V88 HydrophobicContact CG2-CG2 4.39Å; V14-V88 HydrophobicContact CG2-CG2 3.31Å; I86-V88 HydrophobicContact CG2-CG2 4.36Å; V88-L95 HydrophobicContact CG1-CB 4.32Å; V88-L95 HydrophobicContact CG1-CD2 3.99Å; V88-S96 WeakPolarHBondContact CA-O 3.46Å; V88-L103 HydrophobicContact CG1-CD1 4.27Å; V88-L103 HydrophobicContact CG2-CD1 4.12Å
89I97.4Very high97.2Very high53 Ų5356.1 Ų56.127%0.27233%0.33SS..EExtended strand (participates in β ladder)trans-114.6143164.461.1175.2000109.3L95 S96 K98I89-L95 WeakPolarHBondContact O-CA 3.24Å; I89-S96 WeakPolarHBondContact CD1-OG 3.2Å; I89-S96 WeakPolarHBondContact CG1-O 3.37Å; I89-S96 WeakPolarHBondContact CG1-OG 3.39Å; I89-S96 PolarHBondContact N-O 2.91Å; I89-S96 PolarHBondContact O-N 2.73Å; I89-K98 HydrophobicContact CG2-CG 3.71Å
90E97.6Very high96.9Very high113 Ų11364.1 Ų64.153%0.52837%0.367SS..EExtended strand (participates in β ladder)trans-117.4116.4173.2-172.5-177166.100108.9I94 L95E90-I94 WeakPolarHBondContact CA-O 3.38Å; E90-L95 HydrophobicContact CB-CD2 3.61Å; E90-L95 HydrophobicContact CG-CD2 3.64Å
91E96.9Very high96.9Very high136 Ų13663.4 Ų63.464%0.63636%0.363SS*.EExtended strand (participates in β ladder)trans-128.2119.6176.4-66.6-168.517600110.2G93 I94E91-G93 PolarHBondContact O-N 3.3Å; E91-G93 VanDerWaalsContact O-N 3.15Å; E91-I94 PolarHBondContact N-O 3.48Å; E91-I94 WeakPolarHBondContact O-CB 3.41Å; E91-I94 PolarHBondContact O-N 3.29Å
92S96.5Very high97Very high136 Ų13659.8 Ų59.895%0.95134%0.337SS*.THydrogen-bonded Turntrans52.835.6177.5-52.30000114.8I94S92-I94 VanDerWaalsContact C-N 3.32Å
93G97.4Very high97Very high28 Ų2856.9 Ų56.929%0.28932%0.318SS..THydrogen-bonded Turntrans78.812.9-178.800000114.4E91 V352E91-G93 PolarHBondContact O-N 3.3Å; E91-G93 VanDerWaalsContact O-N 3.15Å; G93-V352 WeakPolarHBondContact O-CB 3.41Å; G93-V352 WeakPolarHBondContact O-CG2 3.31Å; G93-V352 PolarHBondContact O-N 3.47Å
94I98.5Very high97Very high63 Ų6356.9 Ų56.932%0.32332%0.318SS..EExtended strand (participates in β ladder)trans-107.3130.6170.2-54.2-58.1000108.7E90 E91 S92 Y349 A351E90-I94 WeakPolarHBondContact CA-O 3.38Å; E91-I94 PolarHBondContact N-O 3.48Å; E91-I94 WeakPolarHBondContact O-CB 3.41Å; E91-I94 PolarHBondContact O-N 3.29Å; S92-I94 VanDerWaalsContact C-N 3.32Å; I94-Y349 HydrophobicContact CG2-CD2 3.66Å; I94-Y349 HydrophobicContact CG2-CG 4.13Å; I94-A351 HydrophobicContact CD1-CB 3.48Å; I94-A351 VanDerWaalsContact CD1-CB 3.48Å
95L98.7Very high97.1Very high0 Ų051.9 Ų51.90%030%0.297CS..EExtended strand (participates in β ladder)trans-101131.5174.4-61.1167.2000108.8V7 F10 V88 I89 E90 L103 Y349 I350 V352 M355V7-L95 HydrophobicContact CG1-CD1 4.27Å; V7-L95 HydrophobicContact CG1-CD2 4.26Å; F10-L95 HydrophobicContact CD1-CD1 3.63Å; F10-L95 HydrophobicContact CE1-CB 4.24Å; F10-L95 HydrophobicContact CE1-CD1 3.85Å; V88-L95 HydrophobicContact CG1-CB 4.32Å; V88-L95 HydrophobicContact CG1-CD2 3.99Å; I89-L95 WeakPolarHBondContact O-CA 3.24Å; E90-L95 HydrophobicContact CB-CD2 3.61Å; E90-L95 HydrophobicContact CG-CD2 3.64Å; L95-L103 WeakPolarHBondContact O-CD2 3.11Å; L95-Y349 CarbonylContact O-C 3.59Å; L95-Y349 WeakPolarHBondContact O-CA 2.92Å; L95-Y349 WeakPolarHBondContact O-CB 3.5Å; L95-I350 HydrophobicContact CB-CG2 4.02Å; L95-I350 HydrophobicContact CD1-CG2 4.36Å; L95-I350 PolarHBondContact N-O 3.04Å; L95-I350 PolarHBondContact O-N 3.16Å; L95-V352 HydrophobicContact CD1-CG2 3.93Å; L95-V352 HydrophobicContact CG-CG2 4.03Å; L95-M355 HydrophobicContact CD1-SD 4.06Å
96S98.1Very high97.1Very high31 Ų3149.7 Ų49.722%0.21727%0.273CS..EExtended strand (participates in β ladder)trans-144.4168.4173.569.80000110.3V88 I89V88-S96 WeakPolarHBondContact CA-O 3.46Å; I89-S96 WeakPolarHBondContact CD1-OG 3.2Å; I89-S96 WeakPolarHBondContact CG1-O 3.37Å; I89-S96 WeakPolarHBondContact CG1-OG 3.39Å; I89-S96 PolarHBondContact N-O 2.91Å; I89-S96 PolarHBondContact O-N 2.73Å
97S97.1Very high97.1Very high5 Ų549.5 Ų49.54%0.03527%0.272CS..EExtended strand (participates in β ladder)trans-75.3169.3168.381.30000110.4E87 G99 T101 I102E87-S97 CarbonylContact O-C 3.55Å; E87-S97 WeakPolarHBondContact O-CA 3.39Å; S97-G99 PolarHBondContact O-N 3.26Å; S97-G99 VanDerWaalsContact O-N 3.15Å; S97-G99 PolarHBondContact OG-N 3Å; S97-T101 WeakPolarHBondContact CB-O 3.5Å; S97-T101 PolarHBondContact OG-O 3.4Å; S97-I102 WeakPolarHBondContact CB-O 3.42Å
98K95.3Very high97.1Very high117 Ų11744.7 Ų44.751%0.50925%0.249SC..  trans-66.2-0.8167.4-75.9-173.7-179.2172.30114.3E87 I89E87-K98 HydrophobicContact CB-CD 3.7Å; E87-K98 HydrophobicContact CB-CG 3.97Å; E87-K98 HydrophobicContact CG-CD 4.45Å; E87-K98 PolarHBondContact O-N 3.43Å; E87-K98 IonicContact OE1-NZ 2.97Å; E87-K98 PolarHBondContact OE1-NZ 2.92Å; E87-K98 WeakPolarHBondContact OE2-CE 3.43Å; E87-K98 IonicContact OE2-NZ 2.67Å; E87-K98 PolarHBondContact OE2-NZ 3.46Å; I89-K98 HydrophobicContact CG2-CG 3.71Å
99G89.5Confident97.2Very high38 Ų3843.4 Ų43.439%0.39224%0.241SC..SBendtrans93.8-5.7175.900000115.8S97 T346S97-G99 PolarHBondContact O-N 3.26Å; S97-G99 VanDerWaalsContact O-N 3.15Å; S97-G99 PolarHBondContact OG-N 3Å; G99-T346 WeakPolarHBondContact O-CB 3.38Å
100E93.2Very high97.3Very high169 Ų16940.9 Ų40.979%0.7923%0.228SC*.SBendtrans-86.4-22173-62.8-171.8169.700112.8
101T97.9Very high97.3Very high15 Ų1535.5 Ų35.59%0.09220%0.203CC..SBendtrans-125.1167.518062.90000110.2P82 K84 S97 T346P82-T101 CarbonylContact O-C 3.6Å; P82-T101 VanDerWaalsContact O-CA 3.25Å; P82-T101 WeakPolarHBondContact O-CA 3.36Å; P82-T101 WeakPolarHBondContact O-CB 3.31Å; K84-T101 WeakPolarHBondContact O-CG2 3.43Å; S97-T101 WeakPolarHBondContact CB-O 3.5Å; S97-T101 PolarHBondContact OG-O 3.4Å; T101-T346 WeakPolarHBondContact O-CA 3.46Å
102I98.1Very high97.4Very high3 Ų329 Ų292%0.01517%0.173CC..  trans-62.1169.9157.862.5168.3000110.1V80 P82 I86 S97V80-I102 HydrophobicContact CG2-CD1 3.78Å; V80-I102 HydrophobicContact CG2-CG2 4.1Å; V80-I102 VanDerWaalsContact O-CD1 3.28Å; V80-I102 WeakPolarHBondContact O-CD1 3.31Å; P82-I102 PolarHBondContact O-N 2.99Å; I86-I102 HydrophobicContact CD1-CG1 4.25Å; S97-I102 WeakPolarHBondContact CB-O 3.42Å
103L98.3Very high97.5Very high0 Ų022.5 Ų22.50%013%0.128CC..  trans-81.7-30.5168.4176.161.5000111F10 V14 I86 V88 L95 A105 E348 I350F10-L103 HydrophobicContact CE1-CD1 4.12Å; F10-L103 HydrophobicContact CE1-CD2 4.23Å; F10-L103 HydrophobicContact CE1-CG 4.33Å; F10-L103 HydrophobicContact CZ-CD1 4.21Å; F10-L103 HydrophobicContact CZ-CD2 3.97Å; F10-L103 HydrophobicContact CZ-CG 3.97Å; V14-L103 WeakPolarHBondContact CB-O 3.48Å; V14-L103 VanDerWaalsContact CG1-O 3.26Å; V14-L103 WeakPolarHBondContact CG1-O 3.41Å; I86-L103 WeakPolarHBondContact CD1-O 3.3Å; V88-L103 HydrophobicContact CG1-CD1 4.27Å; V88-L103 HydrophobicContact CG2-CD1 4.12Å; L95-L103 WeakPolarHBondContact O-CD2 3.11Å; L103-A105 VanDerWaalsContact C-N 3.29Å; L103-A105 HydrophobicContact CD2-CB 3.85Å; L103-A105 HydrophobicContact CG-CB 4.15Å; L103-E348 WeakPolarHBondContact CA-OE2 3.47Å; L103-E348 HydrophobicContact CB-CB 4.09Å; L103-E348 HydrophobicContact CB-CG 4Å; L103-E348 WeakPolarHBondContact CB-OE2 3.37Å; L103-E348 PolarHBondContact N-OE2 2.88Å; L103-I350 HydrophobicContact CD2-CG2 3.92Å
104G97.9Very high97.6Very high0 Ų021.2 Ų21.20%011%0.114CC..  trans69.630.3-171.400000111.6D106 K108 E348G104-D106 VanDerWaalsContact C-N 3.28Å; G104-D106 CarbonylContact C-O 3.52Å; G104-K108 VanDerWaalsContact O-CB 3.24Å; G104-K108 WeakPolarHBondContact O-CB 3.32Å; G104-K108 WeakPolarHBondContact O-CG 3.06Å; G104-K108 PolarHBondContact O-N 3.45Å; G104-E348 PolarHBondContact N-OE2 2.81Å
105A98.4Very high97.6Very high0 Ų018.3 Ų18.30%010%0.099CC..Hα-helixtrans-68.2-37.4174.800000110.3F10 L103 D107 K108 A109 Y340 E348 I350F10-A105 HydrophobicContact CE2-CB 4.24Å; F10-A105 HydrophobicContact CZ-CB 3.98Å; L103-A105 VanDerWaalsContact C-N 3.29Å; L103-A105 HydrophobicContact CD2-CB 3.85Å; L103-A105 HydrophobicContact CG-CB 4.15Å; A105-D107 CarbonylContact O-C 3.6Å; A105-D107 VanDerWaalsContact O-C 3.24Å; A105-D107 WeakPolarHBondContact O-CA 3.44Å; A105-K108 PolarHBondContact O-N 3.42Å; A105-A109 HydrophobicContact CB-CB 4.26Å; A105-A109 WeakPolarHBondContact O-CB 3.4Å; A105-A109 PolarHBondContact O-N 3.25Å; A105-Y340 HydrophobicContact CB-CD1 4.28Å; A105-Y340 HydrophobicContact CB-CG 4.19Å; A105-E348 HydrophobicContact CB-CG 4.41Å; A105-E348 WeakPolarHBondContact CB-OE1 3.3Å; A105-E348 PolarHBondContact N-OE1 2.9Å; A105-E348 PolarHBondContact N-OE2 2.87Å; A105-I350 HydrophobicContact CB-CB 4.32Å; A105-I350 HydrophobicContact CB-CG2 4.32Å
106D98.3Very high97.6Very high4 Ų418.3 Ų18.32%0.02110%0.099CC..Hα-helixtrans-72.1110158.8-175.621.6000111.5H76 G104 Y340 I343 H344 E348H76-D106 IonicContact CD2-OD1 3.45Å; H76-D106 IonicContact CE1-OD1 3.84Å; H76-D106 PolarHBondContact CE1-OD1 3.15Å; H76-D106 IonicContact NE2-OD1 2.8Å; H76-D106 PolarHBondContact NE2-OD1 3.27Å; G104-D106 VanDerWaalsContact C-N 3.28Å; G104-D106 CarbonylContact C-O 3.52Å; D106-Y340 HydrophobicContact CB-CE1 4.13Å; D106-Y340 HydrophobicContact CB-CE2 4.12Å; D106-Y340 PolarHBondContact OD1-OH 2.78Å; D106-I343 HydrophobicContact CB-CD1 3.89Å; D106-I343 HydrophobicContact CB-CG1 3.69Å; D106-I343 WeakPolarHBondContact OD2-CD1 3.31Å; D106-I343 WeakPolarHBondContact OD2-CG1 3.41Å; D106-H344 IonicContact OD2-CD2 3.15Å; D106-H344 PolarHBondContact OD2-CD2 3.01Å; D106-H344 IonicContact OD2-CE1 2.73Å; D106-H344 IonicContact OD2-NE2 3.94Å; D106-H344 PolarHBondContact OD2-NE2 3.5Å; D106-E348 PolarHBondContact N-OE1 3.39Å
107D98.3Very high97.6Very high0 Ų016.9 Ų16.90%09%0.089CC..Hα-helixcis-114.327.6-11.8-171.523.3000112.7C75 H76 A105 A109 G110 I111C75-D107 WeakPolarHBondContact CA-OD2 2.94Å; C75-D107 WeakPolarHBondContact CB-OD2 3.25Å; C75-D107 PolarHBondContact SG-OD2 3.03Å; H76-D107 VanDerWaalsContact CD2-CB 3.45Å; H76-D107 WeakPolarHBondContact CD2-CB 3.11Å; H76-D107 PolarHBondContact CE1-N 2.99Å; H76-D107 PolarHBondContact N-OD2 3.34Å; H76-D107 VanDerWaalsContact NE2-CB 3.31Å; H76-D107 WeakPolarHBondContact NE2-CB 3.31Å; A105-D107 CarbonylContact O-C 3.6Å; A105-D107 VanDerWaalsContact O-C 3.24Å; A105-D107 WeakPolarHBondContact O-CA 3.44Å; D107-A109 PolarHBondContact O-N 3.46Å; D107-G110 PolarHBondContact O-N 2.87Å; D107-G110 VanDerWaalsContact O-N 3.15Å; D107-G110 WeakPolarHBondContact OD1-CA 3.42Å; D107-G110 PolarHBondContact OD1-N 2.89Å; D107-I111 WeakPolarHBondContact O-CG1 3.48Å; D107-I111 PolarHBondContact O-N 3.2Å
108K98.8Very high97.7Very high0 Ų016.7 Ų16.70%09%0.088CC..Hα-helixtrans-69.4-18.8178-58176.8173.7-175.40112.9L13 V14 I16 S18 I26 T79 G104 A105 I111 A112L13-K108 HydrophobicContact CB-CB 4.14Å; L13-K108 HydrophobicContact CB-CD 4.37Å; L13-K108 WeakPolarHBondContact O-CD 3.34Å; L13-K108 PolarHBondContact O-NZ 3.22Å; V14-K108 HydrophobicContact CB-CD 4.27Å; V14-K108 HydrophobicContact CG1-CB 4.02Å; V14-K108 HydrophobicContact CG1-CD 3.91Å; I16-K108 PolarHBondContact O-NZ 3.05Å; S18-K108 WeakPolarHBondContact OG-CE 3.38Å; S18-K108 PolarHBondContact OG-NZ 2.85Å; S18-K108 VanDerWaalsContact OG-NZ 3.14Å; I26-K108 HydrophobicContact CD1-CD 4.13Å; I26-K108 HydrophobicContact CD1-CG 4.16Å; T79-K108 HydrophobicContact CG2-CD 4.35Å; G104-K108 VanDerWaalsContact O-CB 3.24Å; G104-K108 WeakPolarHBondContact O-CB 3.32Å; G104-K108 WeakPolarHBondContact O-CG 3.06Å; G104-K108 PolarHBondContact O-N 3.45Å; A105-K108 PolarHBondContact O-N 3.42Å; K108-I111 HydrophobicContact CG-CD1 4.47Å; K108-A112 WeakPolarHBondContact O-CB 3.2Å; K108-A112 PolarHBondContact O-N 2.87Å
109A98.8Very high97.9Very high0 Ų013 Ų130%07%0.072CC..Hα-helixtrans-65.1-47.1169.700000110.5F10 A105 D107 I111 A112 I113 I338 Y340 I350F10-A109 HydrophobicContact CD2-CB 4.23Å; F10-A109 HydrophobicContact CE2-CB 3.83Å; A105-A109 HydrophobicContact CB-CB 4.26Å; A105-A109 WeakPolarHBondContact O-CB 3.4Å; A105-A109 PolarHBondContact O-N 3.25Å; D107-A109 PolarHBondContact O-N 3.46Å; A109-I111 VanDerWaalsContact C-N 3.29Å; A109-I111 PolarHBondContact O-N 3Å; A109-A112 PolarHBondContact O-N 2.64Å; A109-A112 VanDerWaalsContact O-N 3.16Å; A109-I113 WeakPolarHBondContact O-CB 3.46Å; A109-I113 VanDerWaalsContact O-CD1 3.3Å; A109-I113 WeakPolarHBondContact O-CD1 3.46Å; A109-I113 WeakPolarHBondContact O-CG1 3.49Å; A109-I113 PolarHBondContact O-N 3.21Å; A109-I338 HydrophobicContact CB-CD1 3.75Å; A109-Y340 HydrophobicContact CB-CD1 4.47Å; A109-I350 HydrophobicContact CB-CD1 3.52Å
110G98.8Very high98.3Very high0 Ų011.3 Ų11.30%06%0.055CC..Hα-helixtrans-58.4-42.2176.300000112C75 D107 I113 I114C75-G110 VanDerWaalsContact SG-CA 3.5Å; D107-G110 PolarHBondContact O-N 2.87Å; D107-G110 VanDerWaalsContact O-N 3.15Å; D107-G110 WeakPolarHBondContact OD1-CA 3.42Å; D107-G110 PolarHBondContact OD1-N 2.89Å; G110-I113 WeakPolarHBondContact O-CB 3.35Å; G110-I113 PolarHBondContact O-N 3.18Å; G110-I114 WeakPolarHBondContact O-CG1 3.26Å; G110-I114 PolarHBondContact O-N 2.91Å
111I98.9Very high98.6Very high0 Ų03.6 Ų3.60%02%0.019CC..Hα-helixtrans-59.8-48.9174.3-59.6175.9000111.5L13 I26 L30 C75 H76 T77 D107 K108 A109 I113 I114 I115 F135L13-I111 HydrophobicContact CD1-CB 4.06Å; L13-I111 HydrophobicContact CD1-CG2 3.66Å; L13-I111 HydrophobicContact CD2-CG2 4.02Å; I26-I111 HydrophobicContact CD1-CD1 4.32Å; L30-I111 HydrophobicContact CD1-CD1 4.49Å; L30-I111 HydrophobicContact CD2-CG2 3.48Å; L30-I111 VanDerWaalsContact CD2-CG2 3.48Å; C75-I111 HydrophobicContact CB-CG1 3.75Å; H76-I111 WeakPolarHBondContact O-CD1 3.29Å; T77-I111 HydrophobicContact CG2-CD1 3.98Å; D107-I111 WeakPolarHBondContact O-CG1 3.48Å; D107-I111 PolarHBondContact O-N 3.2Å; K108-I111 HydrophobicContact CG-CD1 4.47Å; A109-I111 VanDerWaalsContact C-N 3.29Å; A109-I111 PolarHBondContact O-N 3Å; I111-I113 VanDerWaalsContact C-N 3.3Å; I111-I113 PolarHBondContact O-N 2.86Å; I111-I114 PolarHBondContact O-N 2.95Å; I111-I115 HydrophobicContact CG2-CD1 3.93Å; I111-I115 WeakPolarHBondContact O-CG1 3.36Å; I111-I115 PolarHBondContact O-N 2.83Å; I111-F135 HydrophobicContact CB-CE1 4.47Å; I111-F135 HydrophobicContact CG1-CD1 4.13Å; I111-F135 HydrophobicContact CG1-CE1 4.06Å; I111-F135 HydrophobicContact CG2-CE1 4.19Å
112A98.9Very high98.6Very high0 Ų06.7 Ų6.70%03%0.032CC..Hα-helixtrans-61.7-40179.100000111.8L6 T9 F10 L13 K108 A109 I115 E116 M355L6-A112 HydrophobicContact CD1-CB 4.21Å; T9-A112 HydrophobicContact CG2-CB 4.38Å; F10-A112 HydrophobicContact CB-CB 3.78Å; F10-A112 HydrophobicContact CD2-CB 4.22Å; L13-A112 HydrophobicContact CD1-CB 3.9Å; K108-A112 WeakPolarHBondContact O-CB 3.2Å; K108-A112 PolarHBondContact O-N 2.87Å; A109-A112 PolarHBondContact O-N 2.64Å; A109-A112 VanDerWaalsContact O-N 3.16Å; A112-I115 PolarHBondContact O-N 2.72Å; A112-E116 PolarHBondContact O-N 3.33Å; A112-M355 HydrophobicContact CB-CE 4.4Å
113I98.9Very high98.5Very high0 Ų012 Ų120%06%0.057CC..Hα-helixtrans-61.2-46.2175.7-72.7157.9000110.7A109 G110 I111 E116 A117 L162 I338 M355 A358 V359 V362A109-I113 WeakPolarHBondContact O-CB 3.46Å; A109-I113 VanDerWaalsContact O-CD1 3.3Å; A109-I113 WeakPolarHBondContact O-CD1 3.46Å; A109-I113 WeakPolarHBondContact O-CG1 3.49Å; A109-I113 PolarHBondContact O-N 3.21Å; G110-I113 WeakPolarHBondContact O-CB 3.35Å; G110-I113 PolarHBondContact O-N 3.18Å; I111-I113 VanDerWaalsContact C-N 3.3Å; I111-I113 PolarHBondContact O-N 2.86Å; I113-E116 PolarHBondContact O-N 2.81Å; I113-A117 VanDerWaalsContact O-CB 3.29Å; I113-A117 WeakPolarHBondContact O-CB 3.39Å; I113-A117 PolarHBondContact O-N 3.05Å; I113-L162 HydrophobicContact CG2-CD1 4.14Å; I113-I338 HydrophobicContact CD1-CB 3.92Å; I113-I338 HydrophobicContact CD1-CD1 3.98Å; I113-I338 HydrophobicContact CD1-CG2 4.26Å; I113-M355 HydrophobicContact CG1-CB 4.49Å; I113-A358 HydrophobicContact CD1-CB 3.49Å; I113-A358 VanDerWaalsContact CD1-CB 3.49Å; I113-A358 HydrophobicContact CG1-CB 4.04Å; I113-A358 HydrophobicContact CG2-CB 4.03Å; I113-V359 HydrophobicContact CB-CG2 4.14Å; I113-V359 HydrophobicContact CG1-CG2 4.13Å; I113-V359 HydrophobicContact CG2-CG2 3.92Å; I113-V362 HydrophobicContact CG2-CG2 3.87Å
114I98.9Very high98.5Very high0 Ų017.9 Ų17.90%09%0.088CC..Hα-helixtrans-60.7-47.3176.6-76.6171.2000111.1F73 C75 G110 I111 E116 A117 I118 F133 F135 L162F73-I114 HydrophobicContact CB-CD1 3.96Å; F73-I114 HydrophobicContact CB-CG1 4.4Å; C75-I114 VanDerWaalsContact SG-CD1 3.57Å; G110-I114 WeakPolarHBondContact O-CG1 3.26Å; G110-I114 PolarHBondContact O-N 2.91Å; I111-I114 PolarHBondContact O-N 2.95Å; I114-E116 PolarHBondContact O-N 3.15Å; I114-A117 PolarHBondContact O-N 3.39Å; I114-I118 HydrophobicContact CG2-CD1 3.63Å; I114-I118 HydrophobicContact CG2-CG1 4.45Å; I114-I118 WeakPolarHBondContact O-CD1 3.35Å; I114-I118 VanDerWaalsContact O-CG1 3.29Å; I114-I118 WeakPolarHBondContact O-CG1 3.37Å; I114-I118 PolarHBondContact O-N 3.1Å; I114-F133 HydrophobicContact CB-CD1 4.41Å; I114-F133 HydrophobicContact CD1-CD1 4.19Å; I114-F133 HydrophobicContact CG1-CD1 4.22Å; I114-F133 HydrophobicContact CG2-CB 4.37Å; I114-F133 HydrophobicContact CG2-CD1 3.36Å; I114-F133 HydrophobicContact CG2-CE1 3.76Å; I114-F133 HydrophobicContact CG2-CG 3.94Å; I114-F135 HydrophobicContact CD1-CE1 4.35Å; I114-F135 HydrophobicContact CD1-CZ 4.5Å; I114-F135 HydrophobicContact CG2-CZ 4.11Å; I114-L162 HydrophobicContact CD1-CD1 4.02Å; I114-L162 HydrophobicContact CG1-CD1 3.73Å
115I98.9Very high98.4Very high2 Ų219.6 Ų19.61%0.0111%0.106CC..Hα-helixtrans-60-48.6-180-68.2165.8000110.3T9 L13 L30 T33 F34 I111 A112 A117 I118 E119T9-I115 HydrophobicContact CG2-CB 4.33Å; T9-I115 HydrophobicContact CG2-CD1 3.9Å; T9-I115 HydrophobicContact CG2-CG2 4.13Å; L13-I115 HydrophobicContact CD1-CD1 4.31Å; L30-I115 HydrophobicContact CD2-CD1 4.21Å; T33-I115 HydrophobicContact CG2-CD1 4.21Å; T33-I115 HydrophobicContact CG2-CG1 4.48Å; T33-I115 HydrophobicContact CG2-CG2 4.26Å; F34-I115 HydrophobicContact CE1-CG1 3.84Å; F34-I115 HydrophobicContact CZ-CD1 4.44Å; F34-I115 HydrophobicContact CZ-CG1 3.82Å; I111-I115 HydrophobicContact CG2-CD1 3.93Å; I111-I115 WeakPolarHBondContact O-CG1 3.36Å; I111-I115 PolarHBondContact O-N 2.83Å; A112-I115 PolarHBondContact O-N 2.72Å; I115-A117 VanDerWaalsContact C-N 3.33Å; I115-A117 PolarHBondContact O-N 2.8Å; I115-I118 PolarHBondContact O-N 2.83Å; I115-E119 PolarHBondContact O-N 3.37Å
116E98.8Very high98.4Very high1 Ų121.3 Ų21.31%0.00511%0.114CC..Hα-helixtrans-65.1-36.2179.1179.759.4-148.800112.6M1 D2 R5 L6 A112 I113 I114 T120 V359M1-E116 WeakPolarHBondContact CA-OE1 3.44Å; M1-E116 HydrophobicContact CG-CG 3.99Å; D2-E116 PolarHBondContact N-OE1 2.84Å; R5-E116 IonicContact CZ-OE1 3.21Å; R5-E116 IonicContact CZ-OE2 3.43Å; R5-E116 IonicContact NE-OE1 2.79Å; R5-E116 IonicContact NE-OE2 2.65Å; R5-E116 PolarHBondContact NE-OE2 3.04Å; R5-E116 IonicContact NH2-OE1 2.68Å; R5-E116 PolarHBondContact NH2-OE1 2.8Å; R5-E116 IonicContact NH2-OE2 3.9Å; R5-E116 PolarHBondContact NH2-OE2 3.44Å; L6-E116 HydrophobicContact CB-CB 4.35Å; L6-E116 HydrophobicContact CB-CG 4.09Å; L6-E116 HydrophobicContact CD1-CB 3.83Å; L6-E116 HydrophobicContact CD1-CG 4.31Å; A112-E116 PolarHBondContact O-N 3.33Å; I113-E116 PolarHBondContact O-N 2.81Å; I114-E116 PolarHBondContact O-N 3.15Å; E116-T120 VanDerWaalsContact O-CB 3.3Å; E116-T120 WeakPolarHBondContact O-CB 3.45Å; E116-T120 PolarHBondContact O-N 2.76Å; E116-T120 PolarHBondContact O-OG1 3.38Å; E116-T120 PolarHBondContact OE1-OG1 3.27Å; E116-T120 VanDerWaalsContact OE1-OG1 3.12Å; E116-V359 HydrophobicContact CB-CG1 4.42Å; E116-V359 HydrophobicContact CB-CG2 3.97Å; E116-V359 HydrophobicContact CG-CG1 3.88Å; E116-V359 HydrophobicContact CG-CG2 3.98Å
117A98.8Very high98.3Very high1 Ų124.2 Ų24.21%0.00813%0.133CC..Hα-helixtrans-63.9-44.9175.500000111.4I113 I114 I115 T120 I121 V359 V362 I363I113-A117 VanDerWaalsContact O-CB 3.29Å; I113-A117 WeakPolarHBondContact O-CB 3.39Å; I113-A117 PolarHBondContact O-N 3.05Å; I114-A117 PolarHBondContact O-N 3.39Å; I115-A117 VanDerWaalsContact C-N 3.33Å; I115-A117 PolarHBondContact O-N 2.8Å; A117-T120 PolarHBondContact O-N 2.87Å; A117-I121 WeakPolarHBondContact O-CB 3.45Å; A117-I121 WeakPolarHBondContact O-CD1 3.37Å; A117-I121 WeakPolarHBondContact O-CG1 3.46Å; A117-I121 PolarHBondContact O-N 3.48Å; A117-V359 HydrophobicContact CB-CG1 4.44Å; A117-V362 HydrophobicContact CB-CB 4.07Å; A117-V362 HydrophobicContact CB-CG1 3.59Å; A117-I363 HydrophobicContact CB-CG1 3.88Å
118I98.7Very high98.2Very high0 Ų024.5 Ų24.50%013%0.134CC..Hα-helixtrans-60.2-50.6176.4-69.8160.8000110.5F34 L37 L39 I114 I115 T120 I121 Q122 F133F34-I118 HydrophobicContact CD1-CD1 4.29Å; F34-I118 HydrophobicContact CE1-CD1 3.72Å; L37-I118 HydrophobicContact CD1-CG2 4.09Å; L39-I118 HydrophobicContact CD1-CG2 3.95Å; L39-I118 HydrophobicContact CD2-CD1 3.94Å; L39-I118 HydrophobicContact CD2-CG2 4.17Å; I114-I118 HydrophobicContact CG2-CD1 3.63Å; I114-I118 HydrophobicContact CG2-CG1 4.45Å; I114-I118 WeakPolarHBondContact O-CD1 3.35Å; I114-I118 VanDerWaalsContact O-CG1 3.29Å; I114-I118 WeakPolarHBondContact O-CG1 3.37Å; I114-I118 PolarHBondContact O-N 3.1Å; I115-I118 PolarHBondContact O-N 2.83Å; I118-T120 VanDerWaalsContact C-N 3.33Å; I118-T120 PolarHBondContact O-N 3.06Å; I118-I121 PolarHBondContact O-N 3.14Å; I118-Q122 WeakPolarHBondContact O-CG 3.48Å; I118-Q122 PolarHBondContact O-N 2.85Å; I118-F133 HydrophobicContact CD1-CD1 4.34Å; I118-F133 HydrophobicContact CD1-CD2 3.9Å; I118-F133 HydrophobicContact CD1-CE1 4.05Å; I118-F133 HydrophobicContact CD1-CE2 3.59Å; I118-F133 HydrophobicContact CD1-CG 4.27Å; I118-F133 HydrophobicContact CD1-CZ 3.67Å; I118-F133 HydrophobicContact CG1-CE1 4.1Å; I118-F133 HydrophobicContact CG1-CE2 3.77Å; I118-F133 HydrophobicContact CG1-CZ 3.49Å; I118-F133 VanDerWaalsContact CG1-CZ 3.49Å
119E98.6Very high98.1Very high39 Ų3924.5 Ų24.518%0.18213%0.134CC..Hα-helixtrans-59.3-46179.1-72.7-161.4-161.200111.1R5 L37 I115 I121 Q122 E123R5-E119 WeakPolarHBondContact CD-OE2 3.39Å; R5-E119 IonicContact CZ-OE2 2.67Å; R5-E119 IonicContact NE-OE2 2.72Å; R5-E119 PolarHBondContact NE-OE2 3Å; R5-E119 IonicContact NH1-OE2 3.47Å; R5-E119 PolarHBondContact NH1-OE2 3.09Å; R5-E119 IonicContact NH2-OE2 2.95Å; L37-E119 HydrophobicContact CD1-CG 4.07Å; L37-E119 HydrophobicContact CD2-CG 3.59Å; L37-E119 HydrophobicContact CG-CG 4.49Å; I115-E119 PolarHBondContact O-N 3.37Å; E119-I121 PolarHBondContact O-N 3.26Å; E119-Q122 PolarHBondContact O-N 2.83Å; E119-E123 WeakPolarHBondContact O-CB 3.47Å; E119-E123 WeakPolarHBondContact O-CG 3.26Å; E119-E123 PolarHBondContact O-N 2.99Å
120T98.5Very high98.1Very high4 Ų426.6 Ų26.63%0.02515%0.145CC..Hα-helixtrans-62.5-41.4177.9-64.90000112.4M1 E116 A117 I118 Q122 E123 L124 I363M1-T120 WeakPolarHBondContact CA-OG1 3.46Å; M1-T120 VanDerWaalsContact N-CG2 3.33Å; M1-T120 PolarHBondContact N-OG1 3.45Å; E116-T120 VanDerWaalsContact O-CB 3.3Å; E116-T120 WeakPolarHBondContact O-CB 3.45Å; E116-T120 PolarHBondContact O-N 2.76Å; E116-T120 PolarHBondContact O-OG1 3.38Å; E116-T120 PolarHBondContact OE1-OG1 3.27Å; E116-T120 VanDerWaalsContact OE1-OG1 3.12Å; A117-T120 PolarHBondContact O-N 2.87Å; I118-T120 VanDerWaalsContact C-N 3.33Å; I118-T120 PolarHBondContact O-N 3.06Å; T120-Q122 VanDerWaalsContact C-N 3.33Å; T120-Q122 PolarHBondContact O-N 3.14Å; T120-E123 PolarHBondContact O-N 3.12Å; T120-L124 HydrophobicContact CG2-CD1 3.73Å; T120-L124 HydrophobicContact CG2-CG 4.26Å; T120-L124 WeakPolarHBondContact O-CB 3.19Å; T120-L124 WeakPolarHBondContact O-CG 3.34Å; T120-L124 PolarHBondContact O-N 2.98Å; T120-I363 HydrophobicContact CG2-CD1 3.56Å
121I98.3Very high98.1Very high7 Ų726.6 Ų26.64%0.03615%0.146CC..Hα-helixtrans-59.9-44.9176.4-75.8163.3000110.5L61 A117 I118 E119 G125 I126 T128 L131 I363 A366L61-I121 HydrophobicContact CD2-CG2 4.21Å; A117-I121 WeakPolarHBondContact O-CB 3.45Å; A117-I121 WeakPolarHBondContact O-CD1 3.37Å; A117-I121 WeakPolarHBondContact O-CG1 3.46Å; A117-I121 PolarHBondContact O-N 3.48Å; I118-I121 PolarHBondContact O-N 3.14Å; E119-I121 PolarHBondContact O-N 3.26Å; I121-G125 WeakPolarHBondContact O-CA 3.14Å; I121-G125 PolarHBondContact O-N 3.14Å; I121-I126 HydrophobicContact CB-CB 4.47Å; I121-I126 HydrophobicContact CG1-CB 4.36Å; I121-I126 HydrophobicContact CG1-CD1 4.27Å; I121-I126 HydrophobicContact CG2-CB 4.24Å; I121-I126 PolarHBondContact O-N 3.32Å; I121-T128 HydrophobicContact CD1-CG2 4.39Å; I121-T128 HydrophobicContact CG2-CG2 4.04Å; I121-L131 HydrophobicContact CD1-CD1 4.1Å; I121-I363 HydrophobicContact CD1-CG1 4.41Å; I121-I363 HydrophobicContact CG1-CG1 4.23Å; I121-I363 HydrophobicContact CG1-CG2 4.34Å; I121-A366 HydrophobicContact CD1-CB 4.04Å
122Q97.9Very high98Very high79 Ų7926.8 Ų26.837%0.36915%0.146SC..Hα-helixtrans-68.3-46.3179.2-70.2-177.8-29.200112L37 I118 E119 T120 L124 G125L37-Q122 PolarHBondContact O-NE2 2.96Å; I118-Q122 WeakPolarHBondContact O-CG 3.48Å; I118-Q122 PolarHBondContact O-N 2.85Å; E119-Q122 PolarHBondContact O-N 2.83Å; T120-Q122 VanDerWaalsContact C-N 3.33Å; T120-Q122 PolarHBondContact O-N 3.14Å; Q122-L124 PolarHBondContact O-N 3.09Å; Q122-G125 PolarHBondContact O-N 2.96Å
123E97.9Very high98Very high114 Ų11426.9 Ų26.953%0.53315%0.147SC..Hα-helixtrans-61.6-43.9-179.2-75.5174.3156.900112.8R5 E119 T120 G125R5-E123 IonicContact CZ-OE1 3.75Å; R5-E123 IonicContact CZ-OE2 3.44Å; R5-E123 IonicContact NH1-OE1 3.41Å; R5-E123 PolarHBondContact NH1-OE1 2.93Å; R5-E123 IonicContact NH1-OE2 2.78Å; R5-E123 IonicContact NH2-OE1 3.63Å; R5-E123 IonicContact NH2-OE2 3.61Å; R5-E123 PolarHBondContact NH2-OE2 2.84Å; E119-E123 WeakPolarHBondContact O-CB 3.47Å; E119-E123 WeakPolarHBondContact O-CG 3.26Å; E119-E123 PolarHBondContact O-N 2.99Å; T120-E123 PolarHBondContact O-N 3.12Å; E123-G125 VanDerWaalsContact C-N 3.33Å
124L97.5Very high98Very high124 Ų12426.9 Ų26.965%0.64915%0.147SC*.Hα-helixtrans-86.9-6.8-179.5-61.5-177.6000112.8T120 Q122 I126T120-L124 HydrophobicContact CG2-CD1 3.73Å; T120-L124 HydrophobicContact CG2-CG 4.26Å; T120-L124 WeakPolarHBondContact O-CB 3.19Å; T120-L124 WeakPolarHBondContact O-CG 3.34Å; T120-L124 PolarHBondContact O-N 2.98Å; Q122-L124 PolarHBondContact O-N 3.09Å; L124-I126 VanDerWaalsContact C-N 3.3Å; L124-I126 HydrophobicContact CB-CD1 4.3Å; L124-I126 HydrophobicContact CB-CG1 3.93Å; L124-I126 HydrophobicContact CD1-CD1 4.36Å; L124-I126 PolarHBondContact O-N 2.85Å
125G96.5Very high98Very high37 Ų3726.9 Ų26.938%0.38115%0.147SC..THydrogen-bonded Turntrans64.233-178.100000113.5I121 Q122 E123 T127I121-G125 WeakPolarHBondContact O-CA 3.14Å; I121-G125 PolarHBondContact O-N 3.14Å; Q122-G125 PolarHBondContact O-N 2.96Å; E123-G125 VanDerWaalsContact C-N 3.33Å; G125-T127 PolarHBondContact O-N 3.26Å
126I96.7Very high98Very high35 Ų3526.8 Ų26.818%0.17915%0.146CC..  trans-61.1134.5179.7-59.9176.7000109.1I121 L124 T128 I363 E367I121-I126 HydrophobicContact CB-CB 4.47Å; I121-I126 HydrophobicContact CG1-CB 4.36Å; I121-I126 HydrophobicContact CG1-CD1 4.27Å; I121-I126 HydrophobicContact CG2-CB 4.24Å; I121-I126 PolarHBondContact O-N 3.32Å; L124-I126 VanDerWaalsContact C-N 3.3Å; L124-I126 HydrophobicContact CB-CD1 4.3Å; L124-I126 HydrophobicContact CB-CG1 3.93Å; L124-I126 HydrophobicContact CD1-CD1 4.36Å; L124-I126 PolarHBondContact O-N 2.85Å; I126-T128 HydrophobicContact CG2-CG2 4.3Å; I126-I363 HydrophobicContact CD1-CG2 3.52Å; I126-E367 HydrophobicContact CG2-CB 4.21Å; I126-E367 HydrophobicContact CG2-CG 4.21Å
127T96.4Very high98Very high66 Ų6626.7 Ų26.741%0.40515%0.146SC..  trans-90.3109.3-176.9-640000110.9K64 D65 K68 G125K64-T127 HydrophobicContact CB-CG2 4.38Å; D65-T127 HydrophobicContact CB-CG2 3.78Å; K68-T127 PolarHBondContact NZ-O 2.82Å; G125-T127 PolarHBondContact O-N 3.26Å
128T97Very high98Very high5 Ų526.7 Ų26.73%0.03115%0.146CC..  trans-113.3166.2178.667.30000111.6G63 K64 D65 I121 I126 L131 A366G63-T128 CarbonylContact C-O 3.47Å; G63-T128 VanDerWaalsContact CA-O 3.29Å; G63-T128 WeakPolarHBondContact CA-O 3.46Å; K64-T128 PolarHBondContact N-O 3.4Å; K64-T128 VanDerWaalsContact N-O 3.09Å; D65-T128 PolarHBondContact N-O 3.35Å; D65-T128 VanDerWaalsContact N-O 3.09Å; I121-T128 HydrophobicContact CD1-CG2 4.39Å; I121-T128 HydrophobicContact CG2-CG2 4.04Å; I126-T128 HydrophobicContact CG2-CG2 4.3Å; T128-L131 HydrophobicContact CG2-CD1 4.23Å; T128-A366 HydrophobicContact CG2-CB 4.2Å
129G96.6Very high97.9Very high1 Ų127.5 Ų27.51%0.0115%0.15CC..  trans-75.2-170.2156.400000110.8G63 L131G63-G129 WeakPolarHBondContact CA-O 3.18Å; G129-L131 PolarHBondContact O-N 2.82Å
130D97.9Very high97.8Very high43 Ų4327.4 Ų27.423%0.2315%0.149CC..  trans-67128.2173-65.6-30.1000109.5H62 G63 R66 P70 L71H62-D130 WeakPolarHBondContact CA-OD1 3.31Å; H62-D130 IonicContact ND1-OD1 2.97Å; G63-D130 PolarHBondContact N-OD1 3.3Å; R66-D130 IonicContact CZ-OD1 3.83Å; R66-D130 VanDerWaalsContact NH1-CG 3.3Å; R66-D130 IonicContact NH1-OD1 3.69Å; R66-D130 PolarHBondContact NH1-OD1 3.21Å; R66-D130 IonicContact NH1-OD2 2.76Å; R66-D130 PolarHBondContact NH1-OD2 3.23Å; P70-D130 VanDerWaalsContact CA-O 3.27Å; P70-D130 WeakPolarHBondContact CA-O 3.48Å; P70-D130 HydrophobicContact CB-CB 4.3Å; P70-D130 HydrophobicContact CG-CB 4.45Å; L71-D130 PolarHBondContact N-O 3.26Å; L71-D130 VanDerWaalsContact N-O 3.12Å
131L98.5Very high97.7Very high1 Ų131.6 Ų31.61%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-110.1134.6175-55.1178.4000109.4K60 L61 L71 I121 T128 G129 F133 A366K60-L131 WeakPolarHBondContact CA-O 3.27Å; L61-L131 HydrophobicContact CB-CB 4.34Å; L61-L131 HydrophobicContact CD2-CD1 4.26Å; L61-L131 PolarHBondContact N-O 3.24Å; L61-L131 PolarHBondContact O-N 2.93Å; L71-L131 HydrophobicContact CB-CD2 4.19Å; L71-L131 WeakPolarHBondContact O-CA 3.11Å; I121-L131 HydrophobicContact CD1-CD1 4.1Å; T128-L131 HydrophobicContact CG2-CD1 4.23Å; G129-L131 PolarHBondContact O-N 2.82Å; L131-F133 HydrophobicContact CB-CE2 3.83Å; L131-F133 HydrophobicContact CB-CZ 3.74Å; L131-F133 HydrophobicContact CD1-CZ 4.02Å; L131-A366 HydrophobicContact CD1-CB 3.63Å; L131-A366 HydrophobicContact CD2-CB 3.82Å; L131-A366 HydrophobicContact CG-CB 4.39Å
132E98.7Very high97.4Very high3 Ų333.7 Ų33.71%0.01419%0.194CC..EExtended strand (participates in β ladder)trans-118.2138.1176.4-58.1179139.700109V59 K60 L71 F72 F73 I154 N155 A156V59-E132 CarbonylContact O-C 3.48Å; V59-E132 WeakPolarHBondContact O-CA 2.91Å; K60-E132 HydrophobicContact CD-CG 4.43Å; K60-E132 HydrophobicContact CG-CG 4.21Å; K60-E132 IonicContact NZ-OE1 3.09Å; K60-E132 PolarHBondContact NZ-OE1 3Å; L71-E132 PolarHBondContact O-N 3.12Å; F72-E132 CarbonylContact C-O 3.48Å; F72-E132 WeakPolarHBondContact CA-O 3.41Å; F72-E132 HydrophobicContact CB-CB 3.85Å; F72-E132 WeakPolarHBondContact CB-O 3.47Å; F73-E132 PolarHBondContact N-O 2.81Å; E132-I154 VanDerWaalsContact OE2-CG2 3.31Å; E132-I154 WeakPolarHBondContact OE2-CG2 3.44Å; E132-N155 VanDerWaalsContact CD-N 3.32Å; E132-N155 VanDerWaalsContact OE1-CB 3.31Å; E132-N155 WeakPolarHBondContact OE1-CB 3.05Å; E132-N155 PolarHBondContact OE1-N 2.77Å; E132-N155 PolarHBondContact OE1-ND2 2.79Å; E132-N155 PolarHBondContact OE2-N 2.79Å; E132-A156 WeakPolarHBondContact OE2-CB 3.47Å; E132-A156 PolarHBondContact OE2-N 2.99Å
133F98.8Very high97.2Very high2 Ų230.9 Ų30.91%0.00918%0.181CC..EExtended strand (participates in β ladder)trans-125120.7-178.8-52.9-84.5000108L39 I58 V59 L61 F73 I114 I118 L131 F135L39-F133 HydrophobicContact CD2-CD2 4.31Å; L39-F133 HydrophobicContact CD2-CE2 4.2Å; I58-F133 CarbonylContact C-O 3.59Å; I58-F133 WeakPolarHBondContact CA-O 3.32Å; V59-F133 HydrophobicContact CB-CB 4.32Å; V59-F133 PolarHBondContact N-O 3.23Å; V59-F133 PolarHBondContact O-N 3.01Å; L61-F133 HydrophobicContact CB-CE2 4.09Å; F73-F133 HydrophobicContact CB-CD1 4.03Å; F73-F133 HydrophobicContact CB-CE1 4.44Å; F73-F133 HydrophobicContact CD2-CD1 4.16Å; F73-F133 AromaticContact CD2-CE1 3.79Å; F73-F133 HydrophobicContact CD2-CE1 3.79Å; F73-F133 HydrophobicContact CG-CE1 4.44Å; F73-F133 CarbonylContact O-C 3.57Å; F73-F133 WeakPolarHBondContact O-CA 3.12Å; I114-F133 HydrophobicContact CB-CD1 4.41Å; I114-F133 HydrophobicContact CD1-CD1 4.19Å; I114-F133 HydrophobicContact CG1-CD1 4.22Å; I114-F133 HydrophobicContact CG2-CB 4.37Å; I114-F133 HydrophobicContact CG2-CD1 3.36Å; I114-F133 HydrophobicContact CG2-CE1 3.76Å; I114-F133 HydrophobicContact CG2-CG 3.94Å; I118-F133 HydrophobicContact CD1-CD1 4.34Å; I118-F133 HydrophobicContact CD1-CD2 3.9Å; I118-F133 HydrophobicContact CD1-CE1 4.05Å; I118-F133 HydrophobicContact CD1-CE2 3.59Å; I118-F133 HydrophobicContact CD1-CG 4.27Å; I118-F133 HydrophobicContact CD1-CZ 3.67Å; I118-F133 HydrophobicContact CG1-CE1 4.1Å; I118-F133 HydrophobicContact CG1-CE2 3.77Å; I118-F133 HydrophobicContact CG1-CZ 3.49Å; I118-F133 VanDerWaalsContact CG1-CZ 3.49Å; L131-F133 HydrophobicContact CB-CE2 3.83Å; L131-F133 HydrophobicContact CB-CZ 3.74Å; L131-F133 HydrophobicContact CD1-CZ 4.02Å; F133-F135 HydrophobicContact CB-CE2 3.73Å; F133-F135 HydrophobicContact CB-CZ 3.96Å
134V98.9Very high97.2Very high0 Ų028.1 Ų28.10%017%0.17CC..EExtended strand (participates in β ladder)trans-108127.4-174.2-174.50000108.3L57 F72 F73 S74 C75 L149 I154 F326L57-V134 CarbonylContact O-C 3.51Å; L57-V134 WeakPolarHBondContact O-CA 3.41Å; F72-V134 HydrophobicContact CD2-CG2 3.93Å; F72-V134 HydrophobicContact CE2-CG2 4.5Å; F73-V134 PolarHBondContact O-N 2.96Å; S74-V134 VanDerWaalsContact CA-O 3.27Å; S74-V134 WeakPolarHBondContact CA-O 3.29Å; S74-V134 PolarHBondContact OG-O 3.38Å; C75-V134 PolarHBondContact N-O 3.38Å; V134-L149 HydrophobicContact CG1-CD2 3.78Å; V134-I154 HydrophobicContact CG1-CD1 4.36Å; V134-I154 HydrophobicContact CG2-CD1 3.52Å; V134-I154 HydrophobicContact CG2-CG1 3.84Å; V134-F326 HydrophobicContact CB-CZ 4.44Å; V134-F326 HydrophobicContact CG1-CE1 4.43Å; V134-F326 HydrophobicContact CG1-CZ 4.06Å
135F98.9Very high97.2Very high0 Ų022.2 Ų22.20%014%0.139CC..EExtended strand (participates in β ladder)trans-121.8107.5179.1-58.6-78.7000108.9L30 F34 L57 V59 C75 T77 I111 I114 F133L30-F135 HydrophobicContact CD1-CB 4.36Å; L30-F135 HydrophobicContact CD1-CD1 4.08Å; L30-F135 HydrophobicContact CD1-CG 4.1Å; F34-F135 HydrophobicContact CD2-CE2 4.31Å; F34-F135 HydrophobicContact CE2-CD2 4.19Å; F34-F135 HydrophobicContact CE2-CE1 4.5Å; F34-F135 AromaticContact CE2-CE2 3.37Å; F34-F135 HydrophobicContact CE2-CE2 3.37Å; F34-F135 AromaticContact CE2-CZ 3.57Å; F34-F135 HydrophobicContact CE2-CZ 3.57Å; F34-F135 HydrophobicContact CZ-CE1 4.4Å; F34-F135 AromaticContact CZ-CE2 3.65Å; F34-F135 HydrophobicContact CZ-CE2 3.65Å; F34-F135 AromaticContact CZ-CZ 3.41Å; F34-F135 HydrophobicContact CZ-CZ 3.41Å; F34-F135 VanDerWaalsContact CZ-CZ 3.41Å; L57-F135 HydrophobicContact CB-CB 4.12Å; L57-F135 HydrophobicContact CD2-CB 4.4Å; L57-F135 HydrophobicContact CD2-CD2 4.04Å; L57-F135 HydrophobicContact CG-CD2 4.18Å; L57-F135 PolarHBondContact N-O 3.16Å; L57-F135 PolarHBondContact O-N 3.12Å; V59-F135 HydrophobicContact CB-CE2 4.34Å; V59-F135 HydrophobicContact CG2-CD2 4.13Å; V59-F135 HydrophobicContact CG2-CE2 3.88Å; C75-F135 HydrophobicContact CB-CD1 4.22Å; C75-F135 HydrophobicContact CB-CE1 4.36Å; C75-F135 VanDerWaalsContact O-CA 3.26Å; C75-F135 WeakPolarHBondContact O-CA 3.31Å; T77-F135 HydrophobicContact CG2-CB 3.76Å; T77-F135 HydrophobicContact CG2-CD1 4.36Å; T77-F135 HydrophobicContact CG2-CG 4.49Å; I111-F135 HydrophobicContact CB-CE1 4.47Å; I111-F135 HydrophobicContact CG1-CD1 4.13Å; I111-F135 HydrophobicContact CG1-CE1 4.06Å; I111-F135 HydrophobicContact CG2-CE1 4.19Å; I114-F135 HydrophobicContact CD1-CE1 4.35Å; I114-F135 HydrophobicContact CD1-CZ 4.5Å; I114-F135 HydrophobicContact CG2-CZ 4.11Å; F133-F135 HydrophobicContact CB-CE2 3.73Å; F133-F135 HydrophobicContact CB-CZ 3.96Å
136S98.7Very high97.3Very high0 Ų020.5 Ų20.50%012%0.121CC..EExtended strand (participates in β ladder)trans-97.7142.1-176.955.30000111.3N56 C75 H76 T77 D322N56-S136 WeakPolarHBondContact OD1-CA 3.37Å; C75-S136 PolarHBondContact O-N 3.31Å; C75-S136 VanDerWaalsContact O-N 3.17Å; H76-S136 CarbonylContact C-O 3.44Å; H76-S136 WeakPolarHBondContact CA-O 3.2Å; H76-S136 WeakPolarHBondContact CA-OG 3.35Å; H76-S136 WeakPolarHBondContact CB-OG 3.36Å; T77-S136 PolarHBondContact N-O 3.21Å; T77-S136 PolarHBondContact OG1-O 3.42Å; S136-D322 VanDerWaalsContact CB-OD2 3.26Å; S136-D322 WeakPolarHBondContact CB-OD2 3.48Å; S136-D322 PolarHBondContact OG-OD2 3.38Å
137P98.6Very high97.3Very high0 Ų021.5 Ų21.50%013%0.131CC..SBendtrans-93.5160.3165.633.3-30.1000111.7E23 L52 S54 N56 E139 G145E23-P137 HydrophobicContact CB-CB 4.11Å; E23-P137 HydrophobicContact CG-CB 3.72Å; L52-P137 HydrophobicContact CB-CB 4.34Å; L52-P137 HydrophobicContact CB-CG 4.4Å; L52-P137 HydrophobicContact CD1-CB 3.99Å; L52-P137 HydrophobicContact CD1-CG 3.79Å; S54-P137 WeakPolarHBondContact O-CG 3.41Å; N56-P137 WeakPolarHBondContact OD1-CD 3.36Å; P137-E139 PolarHBondContact O-N 3.15Å; P137-G145 WeakPolarHBondContact O-CA 3.31Å; P137-G145 PolarHBondContact O-N 2.88Å
138G98Very high97.3Very high0 Ų020.2 Ų20.20%013%0.127CC..  trans63.634.3170.900000115.5E23 D78 L143 I144E23-G138 PolarHBondContact OE1-N 2.8Å; E23-G138 VanDerWaalsContact OE1-N 3.12Å; D78-G138 WeakPolarHBondContact OD1-CA 3.45Å; D78-G138 PolarHBondContact OD1-N 3.3Å; D78-G138 VanDerWaalsContact OD2-CA 3.26Å; D78-G138 WeakPolarHBondContact OD2-CA 3.18Å; G138-L143 PolarHBondContact O-N 3.38Å; G138-I144 PolarHBondContact O-N 2.78Å
139E97.6Very high97.4Very high18 Ų1820.2 Ų20.28%0.08413%0.127CC..SBendtrans-63.8-49.3172.4-163.1-72.7162.200109.9H76 D78 P137 I141 G142 L143 S321H76-E139 HydrophobicContact CB-CB 3.4Å; H76-E139 HydrophobicContact CB-CG 3.87Å; D78-E139 PolarHBondContact OD1-N 3.09Å; D78-E139 PolarHBondContact OD2-N 2.93Å; P137-E139 PolarHBondContact O-N 3.15Å; E139-I141 PolarHBondContact O-N 3.3Å; E139-G142 PolarHBondContact O-N 3.02Å; E139-L143 HydrophobicContact CG-CD2 3.71Å; E139-L143 PolarHBondContact O-N 2.98Å; E139-L143 WeakPolarHBondContact OE1-CD2 3.24Å; E139-S321 WeakPolarHBondContact OE1-CA 3.38Å
140E96.7Very high97.4Very high37 Ų3723.6 Ų23.617%0.17315%0.145CC..THydrogen-bonded Turntrans-68-12.8-168-62.7-79.7-147.800113.4H76 D78 V80 H344H76-E140 IonicContact CE1-OE1 3.45Å; D78-E140 WeakPolarHBondContact OD2-CB 3.39Å; D78-E140 WeakPolarHBondContact OD2-CG 3.46Å; D78-E140 PolarHBondContact OD2-N 2.89Å; D78-E140 VanDerWaalsContact OD2-N 3.08Å; V80-E140 HydrophobicContact CG1-CB 3.99Å; V80-E140 VanDerWaalsContact CG1-CD 3.49Å; V80-E140 HydrophobicContact CG1-CG 4.02Å; V80-E140 WeakPolarHBondContact CG1-OE2 3.38Å; E140-H344 IonicContact OE1-CD2 2.65Å; E140-H344 IonicContact OE1-CE1 2.86Å; E140-H344 IonicContact OE1-NE2 3.55Å; E140-H344 PolarHBondContact OE1-NE2 3.16Å; E140-H344 IonicContact OE2-CE1 2.9Å; E140-H344 PolarHBondContact OE2-CE1 3.25Å; E140-H344 IonicContact OE2-NE2 3.61Å; E140-H344 PolarHBondContact OE2-NE2 2.85Å
141I94.8Very high97.4Very high91 Ų9122.7 Ų22.747%0.46714%0.14SC..THydrogen-bonded Turntrans-110.517178.157170000112.9L52 E139 I144L52-I141 HydrophobicContact CD2-CD1 3.82Å; E139-I141 PolarHBondContact O-N 3.3Å; I141-I144 HydrophobicContact CB-CD1 4.39Å; I141-I144 HydrophobicContact CD1-CD1 3.64Å; I141-I144 HydrophobicContact CG1-CD1 3.67Å; I141-I144 HydrophobicContact CG1-CG1 4.22Å
142G91.9Very high97.3Very high52 Ų5230.7 Ų30.754%0.53618%0.177SC..THydrogen-bonded Turntrans116.143.2170.400000114.6E139 I144E139-G142 PolarHBondContact O-N 3.02Å; G142-I144 PolarHBondContact O-N 3.45Å; G142-I144 VanDerWaalsContact O-N 3.14Å
143L95.3Very high97.3Very high20 Ų2032.4 Ų32.411%0.10519%0.186CC..SBendtrans57.730.6173.1-43.5-179.8000112.9G138 E139 G145 S147 S321 N324 I325G138-L143 PolarHBondContact O-N 3.38Å; E139-L143 HydrophobicContact CG-CD2 3.71Å; E139-L143 PolarHBondContact O-N 2.98Å; E139-L143 WeakPolarHBondContact OE1-CD2 3.24Å; L143-G145 PolarHBondContact O-N 3.33Å; L143-S147 WeakPolarHBondContact O-CB 3.16Å; L143-S147 PolarHBondContact O-N 2.85Å; L143-S147 PolarHBondContact O-OG 3.45Å; L143-S321 WeakPolarHBondContact CD1-O 3.46Å; L143-N324 HydrophobicContact CD1-CB 4.35Å; L143-I325 HydrophobicContact CB-CD1 4.21Å; L143-I325 HydrophobicContact CB-CG1 3.89Å; L143-I325 HydrophobicContact CD1-CD1 4Å; L143-I325 HydrophobicContact CD1-CG1 3.92Å
144I96.9Very high97.3Very high56 Ų5632.4 Ų32.429%0.28719%0.186SC..Hα-helixtrans-65-45.8-164.7-60.1-175000110.5T50 L52 G138 I141 G142 S147 A148T50-I144 HydrophobicContact CG2-CG2 3.67Å; L52-I144 HydrophobicContact CD1-CB 4.1Å; L52-I144 HydrophobicContact CD1-CG2 3.86Å; L52-I144 HydrophobicContact CG-CG2 4.34Å; G138-I144 PolarHBondContact O-N 2.78Å; I141-I144 HydrophobicContact CB-CD1 4.39Å; I141-I144 HydrophobicContact CD1-CD1 3.64Å; I141-I144 HydrophobicContact CG1-CD1 3.67Å; I141-I144 HydrophobicContact CG1-CG1 4.22Å; G142-I144 PolarHBondContact O-N 3.45Å; G142-I144 VanDerWaalsContact O-N 3.14Å; I144-S147 PolarHBondContact O-N 2.94Å; I144-A148 PolarHBondContact O-N 2.72Å; I144-A148 VanDerWaalsContact O-N 3.11Å
145G98.1Very high97.2Very high0 Ų037 Ų370%021%0.211CC..Hα-helixtrans-62.7-53.317900000112.5N56 P137 L143 S147 A148 L149N56-G145 PolarHBondContact ND2-O 3.07Å; N56-G145 VanDerWaalsContact OD1-C 3.22Å; N56-G145 PolarHBondContact OD1-O 3.22Å; P137-G145 WeakPolarHBondContact O-CA 3.31Å; P137-G145 PolarHBondContact O-N 2.88Å; L143-G145 PolarHBondContact O-N 3.33Å; G145-S147 VanDerWaalsContact C-N 3.26Å; G145-S147 PolarHBondContact O-N 3.05Å; G145-A148 CarbonylContact O-C 3.55Å; G145-A148 PolarHBondContact O-N 3.41Å; G145-L149 PolarHBondContact O-N 3.46Å
146A97.7Very high97.1Very high0 Ų037.1 Ų37.10%021%0.211CC..Hα-helixtrans-60.8-36178.400000112.4A148 L149 D322 I325 K329A146-A148 VanDerWaalsContact C-N 3.29Å; A146-A148 PolarHBondContact O-N 3.27Å; A146-L149 VanDerWaalsContact O-CB 3.29Å; A146-L149 WeakPolarHBondContact O-CB 3.49Å; A146-L149 PolarHBondContact O-N 2.97Å; A146-D322 HydrophobicContact CB-CB 4.2Å; A146-D322 VanDerWaalsContact CB-CG 3.44Å; A146-D322 WeakPolarHBondContact CB-OD1 3.38Å; A146-I325 HydrophobicContact CB-CB 4.07Å; A146-I325 HydrophobicContact CB-CG1 4.1Å; A146-I325 HydrophobicContact CB-CG2 4.19Å; A146-I325 VanDerWaalsContact O-CG2 3.26Å; A146-I325 WeakPolarHBondContact O-CG2 3.32Å; A146-K329 PolarHBondContact O-NZ 2.95Å
147S96.9Very high97.1Very high57 Ų5744.3 Ų44.340%0.39924%0.242SC..Hα-helixtrans-62.1-36.1174.9-64.10000112.2L143 I144 G145 I325 K329L143-S147 WeakPolarHBondContact O-CB 3.16Å; L143-S147 PolarHBondContact O-N 2.85Å; L143-S147 PolarHBondContact O-OG 3.45Å; I144-S147 PolarHBondContact O-N 2.94Å; G145-S147 VanDerWaalsContact C-N 3.26Å; G145-S147 PolarHBondContact O-N 3.05Å; S147-I325 WeakPolarHBondContact OG-CD1 3.44Å; S147-K329 PolarHBondContact O-NZ 3.45Å
148A97.7Very high97Very high39 Ų3945 Ų4532%0.32225%0.247SC..Hα-helixtrans-86.6-10.517600000114.3T50 I144 G145 A146 D150T50-A148 HydrophobicContact CG2-CB 3.42Å; T50-A148 VanDerWaalsContact CG2-CB 3.42Å; I144-A148 PolarHBondContact O-N 2.72Å; I144-A148 VanDerWaalsContact O-N 3.11Å; G145-A148 CarbonylContact O-C 3.55Å; G145-A148 PolarHBondContact O-N 3.41Å; A146-A148 VanDerWaalsContact C-N 3.29Å; A146-A148 PolarHBondContact O-N 3.27Å; A148-D150 PolarHBondContact O-N 2.82Å
149L98.2Very high97Very high5 Ų545 Ų453%0.02625%0.247CC..  trans-60131.6-176.5175.161.6000113D44 N56 I58 V134 G145 A146 M151 I154 F326 K329D44-L149 WeakPolarHBondContact OD2-CA 3.36Å; N56-L149 HydrophobicContact CB-CD1 3.53Å; N56-L149 HydrophobicContact CB-CG 4.48Å; N56-L149 WeakPolarHBondContact ND2-CA 3.34Å; I58-L149 HydrophobicContact CD1-CD1 3.89Å; I58-L149 HydrophobicContact CG1-CD1 4.45Å; V134-L149 HydrophobicContact CG1-CD2 3.78Å; G145-L149 PolarHBondContact O-N 3.46Å; A146-L149 VanDerWaalsContact O-CB 3.29Å; A146-L149 WeakPolarHBondContact O-CB 3.49Å; A146-L149 PolarHBondContact O-N 2.97Å; L149-M151 HydrophobicContact CB-CE 4.47Å; L149-M151 HydrophobicContact CD2-CE 3.94Å; L149-M151 HydrophobicContact CD2-SD 4.2Å; L149-M151 HydrophobicContact CG-CE 4.36Å; L149-M151 HydrophobicContact CG-SD 4.49Å; L149-M151 PolarHBondContact O-N 2.95Å; L149-I154 HydrophobicContact CD2-CD1 3.81Å; L149-F326 HydrophobicContact CD2-CE1 3.81Å; L149-F326 HydrophobicContact CD2-CZ 4.39Å; L149-K329 PolarHBondContact O-NZ 2.82Å
150D97.4Very high97Very high71 Ų7144.1 Ų44.138%0.3824%0.243SC..  trans-73.798.7167.7-176.11.7000111D44 A148 Q152 L153D44-D150 HydrophobicContact CB-CB 4.5Å; A148-D150 PolarHBondContact O-N 2.82Å; D150-Q152 PolarHBondContact O-N 3.03Å; D150-Q152 VanDerWaalsContact O-N 3.09Å; D150-Q152 VanDerWaalsContact OD1-CB 3.27Å; D150-Q152 WeakPolarHBondContact OD1-CB 3.34Å; D150-Q152 WeakPolarHBondContact OD1-CG 3.27Å; D150-Q152 PolarHBondContact OD1-N 3.23Å; D150-L153 HydrophobicContact CB-CD1 4.12Å; D150-L153 HydrophobicContact CB-CG 4.11Å; D150-L153 WeakPolarHBondContact O-CB 3.05Å; D150-L153 PolarHBondContact O-N 3.33Å; D150-L153 VanDerWaalsContact O-N 3.07Å
151M97.2Very high97.1Very high25 Ų2542.4 Ų42.412%0.12324%0.235CC..G310 helixtrans-64.4-12.4-179.3-69.7-66.7171.900114.3L149 L153 I154 I325 F326 K329 K331L149-M151 HydrophobicContact CB-CE 4.47Å; L149-M151 HydrophobicContact CD2-CE 3.94Å; L149-M151 HydrophobicContact CD2-SD 4.2Å; L149-M151 HydrophobicContact CG-CE 4.36Å; L149-M151 HydrophobicContact CG-SD 4.49Å; L149-M151 PolarHBondContact O-N 2.95Å; M151-L153 PolarHBondContact O-N 2.87Å; M151-I154 PolarHBondContact O-N 2.82Å; M151-I154 HydrophobicContact SD-CD1 4.07Å; M151-I325 HydrophobicContact CE-CG2 4.19Å; M151-F326 HydrophobicContact CE-CD1 3.37Å; M151-F326 HydrophobicContact CE-CE1 3.68Å; M151-F326 HydrophobicContact CE-CG 4.38Å; M151-F326 HydrophobicContact SD-CD1 3.86Å; M151-F326 HydrophobicContact SD-CE1 4.17Å; M151-K329 HydrophobicContact CE-CB 4.15Å; M151-K329 HydrophobicContact CE-CD 3.57Å; M151-K329 HydrophobicContact CE-CG 4.33Å; M151-K329 HydrophobicContact CG-CB 3.72Å; M151-K329 HydrophobicContact CG-CD 3.37Å; M151-K329 HydrophobicContact CG-CG 4.2Å; M151-K329 HydrophobicContact SD-CB 4.37Å; M151-K329 HydrophobicContact SD-CD 4.29Å; M151-K331 HydrophobicContact SD-CG 4.37Å
152Q97.4Very high97.3Very high168 Ų16838.2 Ų38.279%0.78521%0.214SC*.G310 helixtrans-71.2-20.4174-57.9-175.218.500112.2D150 I154D150-Q152 PolarHBondContact O-N 3.03Å; D150-Q152 VanDerWaalsContact O-N 3.09Å; D150-Q152 VanDerWaalsContact OD1-CB 3.27Å; D150-Q152 WeakPolarHBondContact OD1-CB 3.34Å; D150-Q152 WeakPolarHBondContact OD1-CG 3.27Å; D150-Q152 PolarHBondContact OD1-N 3.23Å; Q152-I154 VanDerWaalsContact C-N 3.25Å; Q152-I154 PolarHBondContact O-N 3.32Å
153L98.1Very high97.6Very high39 Ų3936.3 Ų36.320%0.20419%0.191CC..G310 helixtrans-74.3-18177.2-58.9-179.7000112.9V42 D44 I58 K60 D150 M151V42-L153 HydrophobicContact CG1-CD1 4.16Å; V42-L153 HydrophobicContact CG1-CD2 4.12Å; D44-L153 HydrophobicContact CB-CD1 3.71Å; I58-L153 HydrophobicContact CD1-CB 4.15Å; I58-L153 HydrophobicContact CD1-CD1 3.82Å; I58-L153 HydrophobicContact CG1-CB 4.22Å; K60-L153 WeakPolarHBondContact CE-O 3.26Å; K60-L153 PolarHBondContact NZ-O 3.33Å; D150-L153 HydrophobicContact CB-CD1 4.12Å; D150-L153 HydrophobicContact CB-CG 4.11Å; D150-L153 WeakPolarHBondContact O-CB 3.05Å; D150-L153 PolarHBondContact O-N 3.33Å; D150-L153 VanDerWaalsContact O-N 3.07Å; M151-L153 PolarHBondContact O-N 2.87Å
154I98.3Very high97.7Very high3 Ų336.4 Ų36.42%0.01519%0.193CC..  trans-100.7111176.3-56.2167.4000108.7F72 E132 V134 L149 M151 Q152 A156 F326 K331F72-I154 HydrophobicContact CB-CG2 4.22Å; F72-I154 HydrophobicContact CD1-CG2 3.94Å; F72-I154 HydrophobicContact CE1-CG2 4.42Å; F72-I154 HydrophobicContact CG-CG2 4.05Å; E132-I154 VanDerWaalsContact OE2-CG2 3.31Å; E132-I154 WeakPolarHBondContact OE2-CG2 3.44Å; V134-I154 HydrophobicContact CG1-CD1 4.36Å; V134-I154 HydrophobicContact CG2-CD1 3.52Å; V134-I154 HydrophobicContact CG2-CG1 3.84Å; L149-I154 HydrophobicContact CD2-CD1 3.81Å; M151-I154 PolarHBondContact O-N 2.82Å; M151-I154 HydrophobicContact SD-CD1 4.07Å; Q152-I154 VanDerWaalsContact C-N 3.25Å; Q152-I154 PolarHBondContact O-N 3.32Å; I154-A156 HydrophobicContact CG2-CB 4.2Å; I154-F326 HydrophobicContact CD1-CE1 3.94Å; I154-K331 PolarHBondContact O-NZ 2.93Å
155N97.4Very high97.6Very high97 Ų9734.9 Ų34.952%0.51919%0.192SC..  trans-75.1-36.6176.8-63-62.3000112.1K60 E132K60-N155 PolarHBondContact NZ-ND2 2.99Å; E132-N155 VanDerWaalsContact CD-N 3.32Å; E132-N155 VanDerWaalsContact OE1-CB 3.31Å; E132-N155 WeakPolarHBondContact OE1-CB 3.05Å; E132-N155 PolarHBondContact OE1-N 2.77Å; E132-N155 PolarHBondContact OE1-ND2 2.79Å; E132-N155 PolarHBondContact OE2-N 2.79Å
156A97.3Very high97.5Very high1 Ų135.3 Ų35.31%0.00820%0.196CC..  trans-57.1139.7179.400000111.3P70 F72 E132 I154 K331P70-A156 HydrophobicContact CB-CB 3.97Å; P70-A156 WeakPolarHBondContact O-CB 3.37Å; F72-A156 HydrophobicContact CB-CB 3.95Å; F72-A156 HydrophobicContact CD1-CB 3.75Å; F72-A156 HydrophobicContact CG-CB 4.34Å; E132-A156 WeakPolarHBondContact OE2-CB 3.47Å; E132-A156 PolarHBondContact OE2-N 2.99Å; I154-A156 HydrophobicContact CG2-CB 4.2Å; A156-K331 WeakPolarHBondContact O-CD 3.12Å; A156-K331 PolarHBondContact O-NZ 3.42Å
157K96.9Very high97.4Very high151 Ų15140.9 Ų40.966%0.65722%0.222SC*.SBendtrans-95.8-17.8178.7-60.9-57.2-177.1-175.60113K331 E332K157-K331 CarbonylContact O-C 3.51Å; K157-K331 VanDerWaalsContact O-CA 3.31Å; K157-K331 WeakPolarHBondContact O-CA 3.03Å; K157-E332 PolarHBondContact O-N 3.37Å
158S97.1Very high97.5Very high14 Ų1438.5 Ų38.510%0.09821%0.205CC..EExtended strand (participates in β ladder)trans-133.8149.8178.460.80000109.8F72 E332F72-S158 VanDerWaalsContact CD1-O 3.25Å; F72-S158 WeakPolarHBondContact CD1-O 3.48Å; F72-S158 PolarHBondContact N-O 3.21Å; S158-E332 CarbonylContact C-O 3.52Å; S158-E332 WeakPolarHBondContact CA-O 3.4Å; S158-E332 WeakPolarHBondContact CB-O 3.44Å
159G98Very high97.4Very high0 Ų036.8 Ų36.80%019%0.192CC..EExtended strand (participates in β ladder)trans-163.6171.2179.800000113.7F72 I297 E332 V333F72-G159 CarbonylContact O-C 3.56Å; F72-G159 WeakPolarHBondContact O-CA 3.49Å; G159-I297 WeakPolarHBondContact O-CD1 3.47Å; G159-E332 PolarHBondContact N-O 2.91Å; G159-E332 VanDerWaalsContact N-O 3.1Å; G159-V333 WeakPolarHBondContact O-CA 3.37Å; G159-V333 WeakPolarHBondContact O-CG1 3.38Å
160Y98.7Very high97.4Very high0 Ų040.3 Ų40.30%020%0.204CC..EExtended strand (participates in β ladder)trans-118.1126.5178.7-58.5-85.5000109.7L71 F72 F73 S74 I297 L301 V334 L336 L365L71-Y160 HydrophobicContact CD1-CD2 3.77Å; L71-Y160 HydrophobicContact CD1-CE2 3.68Å; L71-Y160 HydrophobicContact CD2-CD2 4.36Å; L71-Y160 HydrophobicContact CD2-CE2 4.13Å; F72-Y160 PolarHBondContact O-N 2.86Å; F73-Y160 CarbonylContact C-O 3.55Å; F73-Y160 WeakPolarHBondContact CA-O 3.44Å; F73-Y160 HydrophobicContact CD1-CD2 4.35Å; F73-Y160 AromaticContact CE1-CD2 3.82Å; F73-Y160 HydrophobicContact CE1-CD2 3.82Å; F73-Y160 HydrophobicContact CE1-CG 4.36Å; F73-Y160 HydrophobicContact CZ-CD2 4.35Å; S74-Y160 PolarHBondContact N-O 3.35Å; Y160-I297 HydrophobicContact CD1-CD1 3.9Å; Y160-I297 HydrophobicContact CD1-CG1 4.02Å; Y160-I297 HydrophobicContact CE1-CD1 3.69Å; Y160-I297 HydrophobicContact CE1-CG1 3.27Å; Y160-I297 HydrophobicContact CE2-CG1 4.22Å; Y160-I297 HydrophobicContact CG-CD1 4.45Å; Y160-I297 WeakPolarHBondContact OH-CG1 3.4Å; Y160-I297 PolarHBondContact OH-O 2.96Å; Y160-L301 HydrophobicContact CE1-CB 4.09Å; Y160-L301 HydrophobicContact CE1-CD1 4.11Å; Y160-L301 HydrophobicContact CE1-CD2 4.43Å; Y160-L301 HydrophobicContact CE1-CG 4.46Å; Y160-V334 HydrophobicContact CD1-CG2 3.67Å; Y160-V334 HydrophobicContact CE1-CG2 3.92Å; Y160-L336 HydrophobicContact CD1-CD1 3.74Å; Y160-L336 HydrophobicContact CD1-CD2 4.05Å; Y160-L336 HydrophobicContact CD1-CG 4.01Å; Y160-L336 HydrophobicContact CG-CD1 3.94Å; Y160-L336 HydrophobicContact CG-CG 4.47Å; Y160-L365 HydrophobicContact CD1-CD1 4.26Å; Y160-L365 HydrophobicContact CD2-CD1 3.8Å; Y160-L365 HydrophobicContact CE1-CD1 4.25Å; Y160-L365 HydrophobicContact CE1-CD2 4.25Å; Y160-L365 HydrophobicContact CE2-CB 4.13Å; Y160-L365 HydrophobicContact CE2-CD1 3.8Å; Y160-L365 HydrophobicContact CE2-CD2 3.73Å; Y160-L365 HydrophobicContact CE2-CG 4.1Å; Y160-L365 HydrophobicContact CG-CD1 4.04Å; Y160-L365 WeakPolarHBondContact OH-CD2 3.46Å
161V98.7Very high97.5Very high1 Ų136.9 Ų36.91%0.00619%0.186CC..EExtended strand (participates in β ladder)trans-84.1137.9166.8176.30000107.3S74 D163 A323 F326 V333 V334 N335 L336S74-V161 WeakPolarHBondContact O-CA 3.04Å; V161-D163 HydrophobicContact CG1-CB 3.37Å; V161-A323 HydrophobicContact CG2-CB 4.04Å; V161-F326 HydrophobicContact CG2-CD2 3.85Å; V161-F326 HydrophobicContact CG2-CE2 3.89Å; V161-V333 HydrophobicContact CB-CG1 4.41Å; V161-V333 HydrophobicContact CG2-CG1 3.57Å; V161-V334 PolarHBondContact N-O 3.21Å; V161-N335 HydrophobicContact CB-CB 4.23Å; V161-N335 PolarHBondContact O-OD1 3.16Å; V161-L336 PolarHBondContact O-N 2.88Å
162L98.6Very high97.5Very high3 Ų336 Ų362%0.01618%0.182CC..EExtended strand (participates in β ladder)trans-104.947.3-179.3-61.6-173.4000111.5F73 S74 I113 I114 L336 I338 V362F73-L162 HydrophobicContact CD1-CD2 4.49Å; S74-L162 PolarHBondContact O-N 2.99Å; I113-L162 HydrophobicContact CG2-CD1 4.14Å; I114-L162 HydrophobicContact CD1-CD1 4.02Å; I114-L162 HydrophobicContact CG1-CD1 3.73Å; L162-L336 HydrophobicContact CD2-CB 4.14Å; L162-L336 HydrophobicContact CD2-CD1 3.9Å; L162-L336 HydrophobicContact CD2-CG 4.43Å; L162-I338 HydrophobicContact CB-CG2 3.94Å; L162-I338 HydrophobicContact CD2-CG2 4.16Å; L162-I338 WeakPolarHBondContact O-CD1 3.35Å; L162-V362 HydrophobicContact CD1-CG2 3.77Å; L162-V362 HydrophobicContact CD2-CG2 4.15Å
163D98Very high97.5Very high12 Ų1228.9 Ų28.96%0.06415%0.15CC..EExtended strand (participates in β ladder)trans-129.352.8-162.6-179.323000110.6H76 V161 N335 Y340H76-D163 IonicContact CD2-OD1 3.66Å; H76-D163 IonicContact CD2-OD2 2.99Å; H76-D163 IonicContact NE2-OD1 3.94Å; H76-D163 PolarHBondContact NE2-OD1 3.36Å; V161-D163 HydrophobicContact CG1-CB 3.37Å; D163-N335 WeakPolarHBondContact CA-OD1 3.2Å; D163-N335 PolarHBondContact N-OD1 3.49Å; D163-N335 PolarHBondContact O-ND2 3Å; D163-N335 PolarHBondContact O-OD1 2.87Å; D163-Y340 PolarHBondContact OD1-OH 3.04Å
164S96.7Very high97.4Very high22 Ų2227 Ų2715%0.15414%0.14CC..EExtended strand (participates in β ladder)trans-141.6142.8173.9-154.30000112.6L336 S337 I338 Y340S164-L336 PolarHBondContact N-O 3.19Å; S164-S337 CarbonylContact O-C 3.57Å; S164-S337 WeakPolarHBondContact O-CA 3.44Å; S164-I338 PolarHBondContact O-N 2.67Å; S164-Y340 VanDerWaalsContact C-CZ 3.43Å; S164-Y340 WeakPolarHBondContact CA-OH 3.05Å; S164-Y340 PolarHBondContact N-OH 3.2Å; S164-Y340 VanDerWaalsContact N-OH 3.09Å
165G94.9Very high97.3Very high25 Ų2527 Ų2726%0.25814%0.139SC..  trans-75.9166.317400000112.4S337 Y340G165-S337 VanDerWaalsContact O-CB 3.24Å; G165-S337 WeakPolarHBondContact O-CB 3.42Å; G165-S337 PolarHBondContact O-OG 3Å; G165-Y340 CarbonylContact C-O 3.49Å; G165-Y340 WeakPolarHBondContact CA-O 3.48Å
166G96.2Very high97.2Very high8 Ų822.9 Ų22.98%0.08212%0.118CC..SBendtrans90.4173.5-179.400000114S337 G339 Y340G166-S337 WeakPolarHBondContact O-CB 3.47Å; G166-G339 WeakPolarHBondContact O-CA 3.49Å; G166-G339 PolarHBondContact O-N 3.45Å; G166-Y340 PolarHBondContact N-O 3.06Å
167E96.7Very high97.2Very high118 Ų11822.8 Ų22.855%0.55112%0.118SC*.  trans-60142.5-173.1-60.1178.9157.500113.5G169 R170 E354E167-G169 PolarHBondContact O-N 2.93Å; E167-R170 WeakPolarHBondContact O-CG 3.23Å; E167-R170 PolarHBondContact O-N 3.14Å; E167-E354 WeakPolarHBondContact CA-OE2 3.18Å
168V98Very high97.1Very high6 Ų616.5 Ų16.54%0.0369%0.091CC..THydrogen-bonded Turntrans-60.8125.3172-1790000109.6L310 E354 K357 A358 L361V168-L310 HydrophobicContact CG1-CD1 3.97Å; V168-E354 HydrophobicContact CG2-CB 4.33Å; V168-E354 WeakPolarHBondContact CG2-O 3.31Å; V168-E354 PolarHBondContact N-OE2 3.32Å; V168-K357 HydrophobicContact CB-CB 3.9Å; V168-K357 HydrophobicContact CB-CD 4.33Å; V168-K357 HydrophobicContact CG1-CB 3.93Å; V168-K357 HydrophobicContact CG2-CB 4.02Å; V168-A358 HydrophobicContact CG2-CB 3.89Å; V168-L361 HydrophobicContact CG1-CD2 3.97Å
169G96.8Very high97.1Very high4 Ų416.6 Ų16.64%0.0419%0.09CC..THydrogen-bonded Turntrans127.9-22.5-16900000112.1E167 L312 I313E167-G169 PolarHBondContact O-N 2.93Å; G169-L312 WeakPolarHBondContact O-CA 3.24Å; G169-I313 PolarHBondContact O-N 3.42Å
170R98Very high97.1Very high78 Ų7820.5 Ų20.529%0.29411%0.109SC..EExtended strand (participates in β ladder)trans-85.6147.3173.7-51.7174.195.194.8-1.1111.6E167 I313 E315 S337E167-R170 WeakPolarHBondContact O-CG 3.23Å; E167-R170 PolarHBondContact O-N 3.14Å; R170-I313 CarbonylContact C-O 3.54Å; R170-I313 VanDerWaalsContact CA-O 3.27Å; R170-I313 WeakPolarHBondContact CA-O 3.35Å; R170-I313 HydrophobicContact CB-CB 4.49Å; R170-I313 HydrophobicContact CG-CB 4.08Å; R170-I313 HydrophobicContact CG-CD1 4.33Å; R170-I313 HydrophobicContact CG-CG2 4.36Å; R170-E315 IonicContact CZ-OE1 3.88Å; R170-E315 IonicContact NE-OE1 2.68Å; R170-E315 PolarHBondContact NE-OE1 2.88Å; R170-E315 IonicContact NE-OE2 2.69Å; R170-E315 PolarHBondContact NE-OE2 3.09Å; R170-E315 IonicContact NH2-OE1 3.52Å; R170-E315 PolarHBondContact NH2-OE1 2.87Å; R170-S337 WeakPolarHBondContact CB-OG 3.41Å; R170-S337 PolarHBondContact O-N 3.39Å; R170-S337 VanDerWaalsContact O-N 3.15Å
171V98.3Very high97.1Very high0 Ų020.8 Ų20.80%011%0.11CC..EExtended strand (participates in β ladder)trans-143.2127.317855.50000110.5I173 M298 L301 L312 I313 K314 E315 V334 N335 L336V171-I173 HydrophobicContact CG1-CG2 3.92Å; V171-I173 HydrophobicContact CG2-CG2 3.97Å; V171-I173 PolarHBondContact O-N 3.25Å; V171-M298 HydrophobicContact CG1-CE 4.26Å; V171-L301 HydrophobicContact CB-CD2 3.92Å; V171-L301 HydrophobicContact CG1-CD2 4.02Å; V171-L301 HydrophobicContact CG2-CD2 3.82Å; V171-L312 HydrophobicContact CB-CD1 4.4Å; V171-L312 HydrophobicContact CG1-CD1 3.52Å; V171-L312 HydrophobicContact CG1-CG 4.21Å; V171-I313 PolarHBondContact N-O 3Å; V171-K314 HydrophobicContact CG1-CG 4.19Å; V171-E315 PolarHBondContact O-N 3.24Å; V171-V334 HydrophobicContact CG2-CB 3.59Å; V171-V334 HydrophobicContact CG2-CG1 4.27Å; V171-V334 HydrophobicContact CG2-CG2 3.57Å; V171-N335 CarbonylContact C-O 3.5Å; V171-N335 WeakPolarHBondContact CA-O 3.41Å; V171-L336 HydrophobicContact CB-CD2 4.04Å; V171-L336 HydrophobicContact CG2-CD2 3.84Å
172T97.8Very high97.1Very high7 Ų723 Ų234%0.04312%0.121CC..EExtended strand (participates in β ladder)trans-78.5108.6166.6-64.20000108.5A174 Y289 E315 N335T172-A174 VanDerWaalsContact CG2-O 3.26Å; T172-A174 WeakPolarHBondContact CG2-O 3.37Å; T172-Y289 WeakPolarHBondContact CG2-OH 3.33Å; T172-Y289 PolarHBondContact O-OH 3.31Å; T172-E315 WeakPolarHBondContact CA-O 3.5Å; T172-N335 PolarHBondContact N-O 3.15Å; T172-N335 PolarHBondContact O-N 2.93Å
173I97.4Very high97.1Very high18 Ų1822.9 Ų22.99%0.09212%0.12CC..EExtended strand (participates in β ladder)trans-95.1-14.4179.260.6156.8000112.5V171 Y289 I291 M298 K314 E315V171-I173 HydrophobicContact CG1-CG2 3.92Å; V171-I173 HydrophobicContact CG2-CG2 3.97Å; V171-I173 PolarHBondContact O-N 3.25Å; I173-Y289 VanDerWaalsContact C-CE2 3.49Å; I173-Y289 WeakPolarHBondContact O-CD2 3.32Å; I173-Y289 WeakPolarHBondContact O-CE2 2.99Å; I173-I291 PolarHBondContact O-N 3.38Å; I173-M298 HydrophobicContact CG2-CE 3.62Å; I173-M298 HydrophobicContact CG2-SD 3.92Å; I173-K314 HydrophobicContact CD1-CB 4.09Å; I173-K314 HydrophobicContact CD1-CD 4.2Å; I173-K314 HydrophobicContact CG1-CB 4.26Å; I173-K314 HydrophobicContact CG2-CB 4.3Å; I173-K314 HydrophobicContact CG2-CD 4.47Å; I173-K314 HydrophobicContact CG2-CG 4.19Å; I173-E315 WeakPolarHBondContact CG1-O 3.31Å; I173-E315 PolarHBondContact N-O 3Å
174A96.8Very high97.1Very high0 Ų025.5 Ų25.50%013%0.131CC..EExtended strand (participates in β ladder)trans-147.4149-178.200000112.5T172 V251 Y289 N290 I316 S317T172-A174 VanDerWaalsContact CG2-O 3.26Å; T172-A174 WeakPolarHBondContact CG2-O 3.37Å; A174-V251 HydrophobicContact CB-CG1 3.79Å; A174-V251 HydrophobicContact CB-CG2 4.2Å; A174-Y289 CarbonylContact C-O 3.45Å; A174-Y289 WeakPolarHBondContact CA-O 3.42Å; A174-Y289 WeakPolarHBondContact CB-O 3.45Å; A174-N290 HydrophobicContact CB-CB 4.29Å; A174-I316 HydrophobicContact CB-CG1 4.24Å; A174-I316 HydrophobicContact CB-CG2 4.18Å; A174-I316 WeakPolarHBondContact O-CA 3.38Å; A174-S317 PolarHBondContact O-N 3.22Å
175S95.7Very high97.2Very high1 Ų124.5 Ų24.51%0.00713%0.125CC..EExtended strand (participates in β ladder)trans-141.7145.5173.3165.50000108.5G288 Y289 G319 N324S175-G288 CarbonylContact O-C 3.5Å; S175-G288 WeakPolarHBondContact O-CA 3.41Å; S175-Y289 PolarHBondContact N-O 3.09Å; S175-Y289 PolarHBondContact O-N 3.32Å; S175-G319 PolarHBondContact OG-O 2.98Å; S175-N324 WeakPolarHBondContact CB-ND2 3.2Å; S175-N324 PolarHBondContact OG-ND2 3.29Å; S175-N324 PolarHBondContact OG-OD1 3.33Å
176P95.4Very high97.4Very high11 Ų1128.3 Ų28.37%0.07113%0.134CC..  trans-74.1148.6-176.330.3-37.7000112.9R249 S250 G288 S317P176-R249 HydrophobicContact CB-CB 3.79Å; P176-R249 HydrophobicContact CG-CB 4.09Å; P176-R249 HydrophobicContact CG-CG 4.48Å; P176-S250 CarbonylContact C-O 3.5Å; P176-S250 WeakPolarHBondContact CA-O 3.46Å; P176-G288 VanDerWaalsContact C-CA 3.44Å; P176-G288 WeakPolarHBondContact O-CA 3.37Å; P176-S317 WeakPolarHBondContact CD-O 3.34Å
177T95.9Very high97.5Very high0 Ų029 Ų290%014%0.141CC..EExtended strand (participates in β ladder)trans-71.8131.9156.6-63.70000108.5F179 R249 S250 K284 A286 G288T177-F179 HydrophobicContact CG2-CD2 4Å; T177-F179 HydrophobicContact CG2-CE2 3.42Å; T177-F179 VanDerWaalsContact CG2-CE2 3.42Å; T177-F179 HydrophobicContact CG2-CZ 3.89Å; T177-R249 VanDerWaalsContact O-CA 3.27Å; T177-R249 WeakPolarHBondContact O-CA 3.24Å; T177-S250 PolarHBondContact N-O 2.68Å; T177-S250 PolarHBondContact O-N 2.78Å; T177-K284 HydrophobicContact CG2-CD 4.42Å; T177-K284 HydrophobicContact CG2-CG 4.37Å; T177-A286 WeakPolarHBondContact CA-O 3.47Å; T177-A286 WeakPolarHBondContact CG2-O 3.42Å; T177-G288 PolarHBondContact OG1-N 2.76Å
178L94.9Very high97.5Very high19 Ų1928.5 Ų28.510%0.09914%0.138CC..EExtended strand (participates in β ladder)trans-109.8125.6179.9170.262.6000110.1E247 R249 M285 A286L178-E247 HydrophobicContact CD1-CB 3.71Å; L178-E247 HydrophobicContact CD1-CG 4.34Å; L178-E247 WeakPolarHBondContact CD1-OE2 3.36Å; L178-R249 HydrophobicContact CB-CG 4.3Å; L178-R249 HydrophobicContact CD1-CG 3.56Å; L178-R249 HydrophobicContact CG-CG 4.49Å; L178-M285 HydrophobicContact CB-CB 4.44Å; L178-M285 HydrophobicContact CD2-CB 3.83Å; L178-M285 HydrophobicContact CD2-CG 4.42Å; L178-M285 HydrophobicContact CG-CB 3.9Å; L178-M285 HydrophobicContact CG-CG 4.35Å; L178-M285 PolarHBondContact O-N 3.25Å; L178-A286 HydrophobicContact CB-CB 4.14Å; L178-A286 PolarHBondContact N-O 2.94Å; L178-A286 PolarHBondContact O-N 2.97Å
179F97.3Very high97.5Very high16 Ų1631.1 Ų31.17%0.0716%0.157CC..EExtended strand (participates in β ladder)trans-113.9136.4165.7-63.5-90.6000109.7T177 E247 V248 A256 E257 L260 V282 E283 K284T177-F179 HydrophobicContact CG2-CD2 4Å; T177-F179 HydrophobicContact CG2-CE2 3.42Å; T177-F179 VanDerWaalsContact CG2-CE2 3.42Å; T177-F179 HydrophobicContact CG2-CZ 3.89Å; F179-E247 CarbonylContact O-C 3.56Å; F179-E247 WeakPolarHBondContact O-CA 3.44Å; F179-E247 WeakPolarHBondContact O-CB 3.32Å; F179-V248 PolarHBondContact N-O 3.26Å; F179-V248 PolarHBondContact O-N 3.34Å; F179-A256 HydrophobicContact CD2-CB 3.79Å; F179-A256 HydrophobicContact CE2-CB 3.85Å; F179-E257 HydrophobicContact CE2-CG 4.26Å; F179-E257 HydrophobicContact CZ-CG 3.97Å; F179-L260 HydrophobicContact CB-CD1 3.76Å; F179-L260 HydrophobicContact CD1-CD1 4.03Å; F179-L260 HydrophobicContact CD2-CD1 4.07Å; F179-L260 HydrophobicContact CG-CD1 3.71Å; F179-V282 HydrophobicContact CB-CG1 4.19Å; F179-V282 HydrophobicContact CD1-CG1 3.95Å; F179-V282 HydrophobicContact CG-CG1 4.47Å; F179-E283 CarbonylContact C-O 3.49Å; F179-E283 WeakPolarHBondContact CA-O 3.29Å; F179-K284 HydrophobicContact CD1-CB 3.72Å; F179-K284 HydrophobicContact CD1-CG 4.03Å; F179-K284 HydrophobicContact CE1-CB 3.61Å; F179-K284 HydrophobicContact CE1-CD 4.03Å; F179-K284 HydrophobicContact CE1-CG 3.71Å; F179-K284 HydrophobicContact CZ-CD 4.22Å; F179-K284 HydrophobicContact CZ-CG 4.17Å
180M98Very high97.5Very high81 Ų8131.6 Ų31.640%0.39916%0.16SC..EExtended strand (participates in β ladder)trans-103.4147.3164.7-75.2-162.6-66.300109.6G246 E247 V282 E283 M285M180-G246 WeakPolarHBondContact CA-O 3.26Å; M180-E247 HydrophobicContact CG-CB 4.23Å; M180-V282 CarbonylContact O-C 3.46Å; M180-V282 WeakPolarHBondContact O-CA 3.44Å; M180-E283 PolarHBondContact N-O 3.35Å; M180-E283 PolarHBondContact O-N 2.96Å; M180-M285 HydrophobicContact CB-CG 3.94Å; M180-M285 HydrophobicContact CB-SD 4.42Å; M180-M285 HydrophobicContact CE-CE 3.49Å; M180-M285 VanDerWaalsContact CE-CE 3.49Å; M180-M285 HydrophobicContact CE-CG 3.45Å; M180-M285 VanDerWaalsContact CE-CG 3.45Å; M180-M285 HydrophobicContact CE-SD 3.28Å; M180-M285 WeakPolarHBondContact CE-SD 3.41Å; M180-M285 HydrophobicContact CG-CG 3.68Å; M180-M285 HydrophobicContact SD-CG 4.3Å
181Y98.6Very high97.4Very high7 Ų731.6 Ų31.63%0.02716%0.164CC..EExtended strand (participates in β ladder)trans-136.6147.2175.165.3-91.2000111.6I183 I226 K245 G246 V248 L260 I263 M280 T281Y181-I183 HydrophobicContact CD2-CD1 3.84Å; Y181-I183 HydrophobicContact CD2-CG1 3.97Å; Y181-I183 HydrophobicContact CE2-CD1 3.85Å; Y181-I183 HydrophobicContact CE2-CG1 4.4Å; Y181-I226 WeakPolarHBondContact OH-CG1 3.38Å; Y181-K245 WeakPolarHBondContact O-CA 2.91Å; Y181-G246 VanDerWaalsContact CE1-C 3.45Å; Y181-G246 PolarHBondContact N-O 3.41Å; Y181-G246 PolarHBondContact O-N 3.08Å; Y181-V248 HydrophobicContact CD1-CG2 4.47Å; Y181-V248 HydrophobicContact CE1-CG2 4.07Å; Y181-L260 HydrophobicContact CD1-CD2 3.67Å; Y181-L260 HydrophobicContact CE1-CD2 4.44Å; Y181-L260 HydrophobicContact CG-CD2 4.17Å; Y181-I263 HydrophobicContact CE1-CD1 3.81Å; Y181-I263 HydrophobicContact CE2-CG2 4.26Å; Y181-M280 HydrophobicContact CD2-CE 4.1Å; Y181-M280 HydrophobicContact CG-CE 3.95Å; Y181-T281 CarbonylContact C-O 3.55Å; Y181-T281 WeakPolarHBondContact CA-O 3.09Å
182E98.8Very high97.3Very high48 Ų4834 Ų3422%0.22418%0.18CC..EExtended strand (participates in β ladder)trans-118.6133.5169-177.6-178.6117.900108.4Q184 V243 L244 K245 M280 T281E182-Q184 PolarHBondContact OE1-NE2 2.87Å; E182-V243 HydrophobicContact CG-CG1 3.69Å; E182-L244 WeakPolarHBondContact CA-O 3Å; E182-K245 HydrophobicContact CB-CG 4.36Å; E182-K245 HydrophobicContact CG-CG 4.19Å; E182-K245 WeakPolarHBondContact OE2-CE 3.33Å; E182-K245 IonicContact OE2-NZ 2.6Å; E182-K245 PolarHBondContact OE2-NZ 3.32Å; E182-M280 WeakPolarHBondContact O-CA 3.2Å; E182-T281 PolarHBondContact N-O 3.37Å; E182-T281 PolarHBondContact O-N 3.11Å
183I98.8Very high97.2Very high0 Ų036.7 Ų36.70%021%0.21CC..EExtended strand (participates in β ladder)trans-121.7123.4174.6-63168.3000109Y181 V185 V243 L244 I263 F267 F278 E279 M280Y181-I183 HydrophobicContact CD2-CD1 3.84Å; Y181-I183 HydrophobicContact CD2-CG1 3.97Å; Y181-I183 HydrophobicContact CE2-CD1 3.85Å; Y181-I183 HydrophobicContact CE2-CG1 4.4Å; I183-V185 HydrophobicContact CG2-CG2 4.02Å; I183-V243 WeakPolarHBondContact O-CA 3.42Å; I183-L244 HydrophobicContact CB-CD2 3.69Å; I183-L244 HydrophobicContact CB-CG 3.95Å; I183-L244 HydrophobicContact CG2-CD2 3.93Å; I183-L244 PolarHBondContact N-O 3Å; I183-L244 WeakPolarHBondContact O-CD2 3.26Å; I183-L244 PolarHBondContact O-N 2.74Å; I183-I263 HydrophobicContact CD1-CG2 3.54Å; I183-F267 HydrophobicContact CD1-CD2 3.63Å; I183-F267 HydrophobicContact CD1-CE2 3.39Å; I183-F267 HydrophobicContact CD1-CG 4.45Å; I183-F267 HydrophobicContact CD1-CZ 4.06Å; I183-F267 HydrophobicContact CG2-CD1 4.04Å; I183-F267 HydrophobicContact CG2-CD2 4.41Å; I183-F267 HydrophobicContact CG2-CE1 3.93Å; I183-F267 HydrophobicContact CG2-CE2 4.32Å; I183-F267 HydrophobicContact CG2-CG 4.29Å; I183-F267 HydrophobicContact CG2-CZ 4.08Å; I183-F278 HydrophobicContact CG2-CB 4.35Å; I183-F278 HydrophobicContact CG2-CD2 4.13Å; I183-E279 CarbonylContact C-O 3.57Å; I183-E279 VanDerWaalsContact CA-O 3.3Å; I183-E279 WeakPolarHBondContact CA-O 3.35Å; I183-M280 HydrophobicContact CD1-CE 4.41Å; I183-M280 HydrophobicContact CD1-CG 4.21Å; I183-M280 HydrophobicContact CD1-SD 3.81Å; I183-M280 HydrophobicContact CG1-CB 3.92Å; I183-M280 HydrophobicContact CG1-CG 3.67Å; I183-M280 HydrophobicContact CG1-SD 3.97Å
184Q98.7Very high97.2Very high66 Ų6641.6 Ų41.631%0.30824%0.235SC..EExtended strand (participates in β ladder)trans-103.3112.8173.7-58.7-176.522.400109.1E182 V243 F278 E279E182-Q184 PolarHBondContact OE1-NE2 2.87Å; Q184-V243 HydrophobicContact CG-CG1 4.31Å; Q184-V243 HydrophobicContact CG-CG2 4.1Å; Q184-F278 CarbonylContact O-C 3.52Å; Q184-F278 WeakPolarHBondContact O-CA 3.08Å; Q184-E279 PolarHBondContact N-O 3.27Å; Q184-E279 PolarHBondContact O-N 2.99Å
185V98.7Very high97.2Very high2 Ų244.7 Ų44.71%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-97.3129.5177.3-173.40000109.1I183 A202 I205 S241 L242 L244 F267I183-V185 HydrophobicContact CG2-CG2 4.02Å; V185-A202 HydrophobicContact CB-CB 4.44Å; V185-A202 HydrophobicContact CG1-CB 4Å; V185-I205 HydrophobicContact CG1-CB 3.96Å; V185-I205 HydrophobicContact CG1-CD1 3.9Å; V185-I205 HydrophobicContact CG1-CG2 3.78Å; V185-S241 WeakPolarHBondContact O-CA 3.35Å; V185-L242 HydrophobicContact CB-CB 4.47Å; V185-L242 HydrophobicContact CG2-CD2 4.13Å; V185-L242 PolarHBondContact N-O 3.22Å; V185-L242 PolarHBondContact O-N 3.42Å; V185-L244 HydrophobicContact CG2-CD2 4.26Å; V185-F267 HydrophobicContact CG2-CD1 4.02Å; V185-F267 HydrophobicContact CG2-CE1 3.59Å
186K98.4Very high97.2Very high105 Ų10547.5 Ų47.546%0.45727%0.268SS..EExtended strand (participates in β ladder)trans-119.8117.5175.8-64.7176.1-176.5163.20109.8D240 G276 S277K186-D240 CarbonylContact C-O 3.59Å; K186-G276 CarbonylContact O-C 3.55Å; K186-G276 VanDerWaalsContact O-CA 3.23Å; K186-G276 WeakPolarHBondContact O-CA 3.34Å; K186-S277 PolarHBondContact N-O 3.45Å; K186-S277 PolarHBondContact O-N 3.43Å
187G97.7Very high97.2Very high21 Ų2153.7 Ų53.722%0.21630%0.295CS..  trans-103.8-139.8168.700000111.2I200 D240G187-I200 CarbonylContact C-O 3.57Å; G187-I200 VanDerWaalsContact CA-O 3.28Å; G187-I200 WeakPolarHBondContact CA-O 3.49Å; G187-D240 PolarHBondContact N-O 3.17Å
188Q97.9Very high97.3Very high108 Ų10859.8 Ų59.851%0.50532%0.322SS..BIsolated β-bridgetrans-147.9130.1-178.7-179.217020.700109.9G199 I200Q188-G199 CarbonylContact O-C 3.47Å; Q188-G199 WeakPolarHBondContact O-CA 3.38Å; Q188-I200 HydrophobicContact CB-CB 3.99Å; Q188-I200 HydrophobicContact CB-CD1 4.25Å; Q188-I200 HydrophobicContact CB-CG1 4.12Å; Q188-I200 PolarHBondContact N-O 3.44Å; Q188-I200 PolarHBondContact O-N 3.07Å
189S97.1Very high97.4Very high61 Ų6159.6 Ų59.643%0.42733%0.325SS..  trans-78.4145.7-179.331.30000111.4D240S189-D240 WeakPolarHBondContact CB-OD2 3.38Å; S189-D240 VanDerWaalsContact N-CB 3.32Å; S189-D240 PolarHBondContact OG-OD2 2.83Å
190A97.4Very high97.5Very high14 Ų1460.6 Ų60.612%0.11633%0.331CS..  trans-150.6159.3170.200000108.9S192 E195 K198 V238A190-S192 PolarHBondContact O-N 3.07Å; A190-S192 VanDerWaalsContact O-N 3.15Å; A190-E195 WeakPolarHBondContact CB-O 3.21Å; A190-K198 HydrophobicContact CB-CB 4.3Å; A190-V238 HydrophobicContact CB-CB 4.49Å; A190-V238 HydrophobicContact CB-CG2 4.12Å; A190-V238 PolarHBondContact O-N 2.97Å
191H97.1Very high97.5Very high79 Ų7958 Ų5837%0.36632%0.321SS..BIsolated β-bridgetrans-69.7113.5174.2-172.7-68.8000109.6G193 I194 E195H191-G193 PolarHBondContact ND1-N 3.37Å; H191-G193 VanDerWaalsContact ND1-N 3.17Å; H191-G193 PolarHBondContact O-N 2.78Å; H191-G193 VanDerWaalsContact O-N 3.08Å; H191-I194 HydrophobicContact CB-CB 4.11Å; H191-I194 HydrophobicContact CB-CD1 4.31Å; H191-I194 HydrophobicContact CB-CG1 4.46Å; H191-I194 WeakPolarHBondContact ND1-CG1 3.42Å; H191-I194 PolarHBondContact ND1-N 3.05Å; H191-I194 PolarHBondContact O-N 3.43Å; H191-I194 VanDerWaalsContact O-N 3.09Å; H191-E195 PolarHBondContact O-N 3.31Å; H191-E195 VanDerWaalsContact O-N 3.12Å
192S95.4Very high97.4Very high49 Ų4957.7 Ų57.734%0.34332%0.319SS..THydrogen-bonded Turntrans-58-28.9-171.359.10000114.5A190 N236A190-S192 PolarHBondContact O-N 3.07Å; A190-S192 VanDerWaalsContact O-N 3.15Å; S192-N236 WeakPolarHBondContact CB-O 3.49Å; S192-N236 PolarHBondContact N-O 3.47Å; S192-N236 VanDerWaalsContact OG-CA 3.24Å; S192-N236 WeakPolarHBondContact OG-CA 3.26Å; S192-N236 PolarHBondContact OG-O 3.03Å
193G95.9Very high97.4Very high64 Ų6458.7 Ų58.766%0.6633%0.328SS*.THydrogen-bonded Turntrans-99.1-5.3179.500000116.3H191H191-G193 PolarHBondContact ND1-N 3.37Å; H191-G193 VanDerWaalsContact ND1-N 3.17Å; H191-G193 PolarHBondContact O-N 2.78Å; H191-G193 VanDerWaalsContact O-N 3.08Å
194I96.3Very high97.3Very high121 Ų12160.5 Ų60.562%0.62134%0.341SS*.THydrogen-bonded Turntrans-112-51.4-176.1-66.5169.9000110.4H191H191-I194 HydrophobicContact CB-CB 4.11Å; H191-I194 HydrophobicContact CB-CD1 4.31Å; H191-I194 HydrophobicContact CB-CG1 4.46Å; H191-I194 WeakPolarHBondContact ND1-CG1 3.42Å; H191-I194 PolarHBondContact ND1-N 3.05Å; H191-I194 PolarHBondContact O-N 3.43Å; H191-I194 VanDerWaalsContact O-N 3.09Å
195E96.7Very high97.3Very high66 Ų6657.3 Ų57.331%0.30833%0.326SS..  trans-149.753.8-172.454.9-168.8157.200111.6A190 H191 E197 K198A190-E195 WeakPolarHBondContact CB-O 3.21Å; H191-E195 PolarHBondContact O-N 3.31Å; H191-E195 VanDerWaalsContact O-N 3.12Å; E195-E197 WeakPolarHBondContact CA-OE2 3.32Å; E195-E197 PolarHBondContact O-N 3.15Å; E195-E197 VanDerWaalsContact O-N 3.11Å; E195-K198 HydrophobicContact CB-CD 4.36Å; E195-K198 HydrophobicContact CB-CG 4.32Å; E195-K198 HydrophobicContact CG-CD 4.27Å; E195-K198 PolarHBondContact O-N 3.35Å; E195-K198 WeakPolarHBondContact OE2-CD 3.37Å; E195-K198 WeakPolarHBondContact OE2-CE 3.36Å; E195-K198 IonicContact OE2-NZ 3.62Å; E195-K198 PolarHBondContact OE2-NZ 3.01Å
196P96.2Very high97.3Very high60 Ų6057.7 Ų57.739%0.3933%0.328SS..G310 helixtrans-57-26.7-177.825.6-35.4000113.4K198 G199 V238P196-K198 PolarHBondContact O-N 2.96Å; P196-G199 PolarHBondContact O-N 3.48Å; P196-V238 HydrophobicContact CB-CG2 4.16Å
197E96.5Very high97.3Very high140 Ų14055.9 Ų55.965%0.65433%0.328SS*.G310 helixtrans-64.9-16.5177.271.5-73.7172.300114.5E195 G199E195-E197 WeakPolarHBondContact CA-OE2 3.32Å; E195-E197 PolarHBondContact O-N 3.15Å; E195-E197 VanDerWaalsContact O-N 3.11Å; E197-G199 VanDerWaalsContact C-N 3.31Å
198K97.4Very high97.3Very high128 Ų12856.2 Ų56.256%0.55733%0.325SS*.G310 helixtrans-83.7-8.6171.3-64.7-167.3-173.61690113.2A190 E195 P196A190-K198 HydrophobicContact CB-CB 4.3Å; E195-K198 HydrophobicContact CB-CD 4.36Å; E195-K198 HydrophobicContact CB-CG 4.32Å; E195-K198 HydrophobicContact CG-CD 4.27Å; E195-K198 PolarHBondContact O-N 3.35Å; E195-K198 WeakPolarHBondContact OE2-CD 3.37Å; E195-K198 WeakPolarHBondContact OE2-CE 3.36Å; E195-K198 IonicContact OE2-NZ 3.62Å; E195-K198 PolarHBondContact OE2-NZ 3.01Å; P196-K198 PolarHBondContact O-N 2.96Å
199G97.4Very high97.3Very high16 Ų1651.1 Ų51.117%0.16530%0.301CS..SBendtrans-95.6159.3177.100000112.4Q188 P196 E197Q188-G199 CarbonylContact O-C 3.47Å; Q188-G199 WeakPolarHBondContact O-CA 3.38Å; P196-G199 PolarHBondContact O-N 3.48Å; E197-G199 VanDerWaalsContact C-N 3.31Å
200I97.9Very high97.3Very high37 Ų3751 Ų5119%0.1930%0.295CS..BIsolated β-bridgetrans-118.8114.9169.6-62.4167.9000106.2G187 Q188 A202 I205 Y274G187-I200 CarbonylContact C-O 3.57Å; G187-I200 VanDerWaalsContact CA-O 3.28Å; G187-I200 WeakPolarHBondContact CA-O 3.49Å; Q188-I200 HydrophobicContact CB-CB 3.99Å; Q188-I200 HydrophobicContact CB-CD1 4.25Å; Q188-I200 HydrophobicContact CB-CG1 4.12Å; Q188-I200 PolarHBondContact N-O 3.44Å; Q188-I200 PolarHBondContact O-N 3.07Å; I200-A202 PolarHBondContact O-N 2.76Å; I200-I205 HydrophobicContact CG2-CD1 3.99Å; I200-Y274 WeakPolarHBondContact CG2-O 3.47Å
201S97.9Very high97.3Very high27 Ų2757 Ų5719%0.18932%0.321CS..  trans-81.7111.8-173.6173.60000111.3V203 S204 I205 M239S201-V203 VanDerWaalsContact C-N 3.26Å; S201-V203 PolarHBondContact O-N 3.5Å; S201-V203 WeakPolarHBondContact OG-CG1 3.42Å; S201-S204 VanDerWaalsContact CB-OG 3.25Å; S201-S204 WeakPolarHBondContact CB-OG 3.38Å; S201-S204 WeakPolarHBondContact O-CB 3.45Å; S201-S204 PolarHBondContact O-N 3Å; S201-S204 PolarHBondContact OG-N 3.38Å; S201-S204 PolarHBondContact OG-OG 2.71Å; S201-I205 PolarHBondContact O-N 3.13Å; S201-M239 WeakPolarHBondContact CA-O 3.24Å
202A98.2Very high97.2Very high0 Ų059 Ų590%033%0.328CS..Hα-helixtrans-59.7-35.6176.400000112.4V185 I200 S204 I205 L206 M239 L242V185-A202 HydrophobicContact CB-CB 4.44Å; V185-A202 HydrophobicContact CG1-CB 4Å; I200-A202 PolarHBondContact O-N 2.76Å; A202-S204 VanDerWaalsContact C-N 3.3Å; A202-S204 PolarHBondContact O-N 3.39Å; A202-I205 PolarHBondContact O-N 2.89Å; A202-L206 PolarHBondContact O-N 3.15Å; A202-M239 HydrophobicContact CB-CG 4.28Å; A202-M239 PolarHBondContact N-O 3.21Å; A202-L242 HydrophobicContact CB-CB 4.1Å
203V97.7Very high97.2Very high68 Ų6857.5 Ų57.541%0.41232%0.316SS..Hα-helixtrans-68-28174.164.70000112.7S201 S207 M239S201-V203 VanDerWaalsContact C-N 3.26Å; S201-V203 PolarHBondContact O-N 3.5Å; S201-V203 WeakPolarHBondContact OG-CG1 3.42Å; V203-S207 VanDerWaalsContact O-CB 3.23Å; V203-S207 WeakPolarHBondContact O-CB 3.41Å; V203-S207 PolarHBondContact O-N 2.84Å; V203-M239 HydrophobicContact CB-SD 3.89Å; V203-M239 HydrophobicContact CG1-SD 4.4Å
204S97.9Very high97.1Very high38 Ų3860.6 Ų60.627%0.26631%0.313SS..Hα-helixtrans-71.7-39.3173.8-59.10000111.6S201 A202 S207 E208S201-S204 VanDerWaalsContact CB-OG 3.25Å; S201-S204 WeakPolarHBondContact CB-OG 3.38Å; S201-S204 WeakPolarHBondContact O-CB 3.45Å; S201-S204 PolarHBondContact O-N 3Å; S201-S204 PolarHBondContact OG-N 3.38Å; S201-S204 PolarHBondContact OG-OG 2.71Å; A202-S204 VanDerWaalsContact C-N 3.3Å; A202-S204 PolarHBondContact O-N 3.39Å; S204-S207 PolarHBondContact O-N 3.38Å; S204-E208 PolarHBondContact O-N 2.65Å
205I98.5Very high97Very high0 Ų058.7 Ų58.70%030%0.304CS..Hα-helixtrans-60.2-49.6172.1-65.1166.8000110V185 I200 S201 A202 S207 E208 A209 F267 A270 V271 Y274 G275V185-I205 HydrophobicContact CG1-CB 3.96Å; V185-I205 HydrophobicContact CG1-CD1 3.9Å; V185-I205 HydrophobicContact CG1-CG2 3.78Å; I200-I205 HydrophobicContact CG2-CD1 3.99Å; S201-I205 PolarHBondContact O-N 3.13Å; A202-I205 PolarHBondContact O-N 2.89Å; I205-S207 PolarHBondContact O-N 3.44Å; I205-E208 PolarHBondContact O-N 2.95Å; I205-A209 PolarHBondContact O-N 3.09Å; I205-F267 HydrophobicContact CG2-CD1 4.34Å; I205-A270 HydrophobicContact CG2-CB 3.81Å; I205-A270 VanDerWaalsContact O-CB 3.31Å; I205-A270 WeakPolarHBondContact O-CB 3.43Å; I205-V271 HydrophobicContact CD1-CG2 4.33Å; I205-V271 HydrophobicContact CG2-CG2 3.9Å; I205-Y274 HydrophobicContact CG1-CD2 4.41Å; I205-Y274 HydrophobicContact CG1-CG 4.4Å; I205-G275 WeakPolarHBondContact CD1-O 3.39Å
206L98.3Very high97Very high9 Ų957.2 Ų57.25%0.04731%0.306CS..Hα-helixtrans-58.2-48.3176.5174.964.6000111.8A202 E208 A209 L210 I229 L242 L244 F267A202-L206 PolarHBondContact O-N 3.15Å; L206-E208 VanDerWaalsContact C-N 3.26Å; L206-E208 PolarHBondContact O-N 3.21Å; L206-A209 PolarHBondContact O-N 3.17Å; L206-A209 VanDerWaalsContact O-N 3.16Å; L206-L210 HydrophobicContact CD1-CD1 3.87Å; L206-L210 HydrophobicContact CD1-CD2 4.2Å; L206-L210 HydrophobicContact CD1-CG 3.77Å; L206-L210 HydrophobicContact CD2-CD1 4.34Å; L206-L210 HydrophobicContact CG-CD1 3.79Å; L206-L210 HydrophobicContact CG-CG 4.11Å; L206-L210 WeakPolarHBondContact O-CB 3.5Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.38Å; L206-L210 PolarHBondContact O-N 3.1Å; L206-I229 HydrophobicContact CD2-CD1 4.24Å; L206-I229 HydrophobicContact CD2-CG2 4.1Å; L206-L242 HydrophobicContact CB-CD2 4.42Å; L206-L242 HydrophobicContact CD2-CD1 3.73Å; L206-L242 HydrophobicContact CD2-CD2 3.88Å; L206-L242 HydrophobicContact CD2-CG 4.48Å; L206-L244 HydrophobicContact CD1-CD1 4.19Å; L206-L244 HydrophobicContact CD1-CD2 4.21Å; L206-F267 HydrophobicContact CD1-CE1 4.22Å; L206-F267 HydrophobicContact CD1-CZ 3.8Å
207S97.9Very high96.9Very high67 Ų6762.7 Ų62.747%0.46932%0.319SS..Hα-helixtrans-59.2-37-179.9-176.40000112.6V203 S204 I205 Q211V203-S207 VanDerWaalsContact O-CB 3.23Å; V203-S207 WeakPolarHBondContact O-CB 3.41Å; V203-S207 PolarHBondContact O-N 2.84Å; S204-S207 PolarHBondContact O-N 3.38Å; I205-S207 PolarHBondContact O-N 3.44Å; S207-Q211 WeakPolarHBondContact O-CG 3.27Å; S207-Q211 PolarHBondContact O-NE2 2.94Å
208E98.3Very high96.9Very high29 Ų2958.4 Ų58.414%0.13630%0.3CS..Hα-helixtrans-70-42.3174.7-172.572.2-177.300112.7S204 I205 L206 Q211 A270 K273 Y274S204-E208 PolarHBondContact O-N 2.65Å; I205-E208 PolarHBondContact O-N 2.95Å; L206-E208 VanDerWaalsContact C-N 3.26Å; L206-E208 PolarHBondContact O-N 3.21Å; E208-Q211 PolarHBondContact O-N 2.68Å; E208-A270 HydrophobicContact CB-CB 3.8Å; E208-A270 HydrophobicContact CG-CB 3.93Å; E208-K273 HydrophobicContact CG-CD 4.04Å; E208-K273 WeakPolarHBondContact OE1-CD 3.44Å; E208-K273 IonicContact OE1-NZ 3.39Å; E208-K273 PolarHBondContact OE1-NZ 3.07Å; E208-K273 IonicContact OE2-NZ 2.78Å; E208-K273 PolarHBondContact OE2-NZ 2.97Å; E208-Y274 HydrophobicContact CB-CD2 4.43Å; E208-Y274 HydrophobicContact CB-CE2 3.75Å; E208-Y274 HydrophobicContact CG-CE2 4.04Å
209A98.2Very high96.8Very high0 Ų055.7 Ų55.70%029%0.292CS..Hα-helixtrans-64.7-44.7177.700000111.4I205 L206 Q211 K212 I213 A266 F267 A270I205-A209 PolarHBondContact O-N 3.09Å; L206-A209 PolarHBondContact O-N 3.17Å; L206-A209 VanDerWaalsContact O-N 3.16Å; A209-Q211 PolarHBondContact O-N 3.43Å; A209-Q211 VanDerWaalsContact O-N 3.15Å; A209-K212 PolarHBondContact O-N 3.46Å; A209-I213 HydrophobicContact CB-CD1 4.34Å; A209-I213 WeakPolarHBondContact O-CG1 3.42Å; A209-I213 PolarHBondContact O-N 3.48Å; A209-A266 HydrophobicContact CB-CB 4.18Å; A209-F267 HydrophobicContact CB-CD1 4.02Å; A209-F267 HydrophobicContact CB-CD2 3.97Å; A209-F267 HydrophobicContact CB-CE1 4.04Å; A209-F267 HydrophobicContact CB-CE2 3.99Å; A209-F267 HydrophobicContact CB-CG 3.98Å; A209-F267 HydrophobicContact CB-CZ 4.02Å; A209-A270 HydrophobicContact CB-CB 4.24Å
210L96.8Very high96.4Very high59 Ų5963 Ų6331%0.30932%0.321SS..Hα-helixtrans-61.4-24.1-179-73178.1000114L206 K212 I213 I215 I226L206-L210 HydrophobicContact CD1-CD1 3.87Å; L206-L210 HydrophobicContact CD1-CD2 4.2Å; L206-L210 HydrophobicContact CD1-CG 3.77Å; L206-L210 HydrophobicContact CD2-CD1 4.34Å; L206-L210 HydrophobicContact CG-CD1 3.79Å; L206-L210 HydrophobicContact CG-CG 4.11Å; L206-L210 WeakPolarHBondContact O-CB 3.5Å; L206-L210 VanDerWaalsContact O-CG 3.31Å; L206-L210 WeakPolarHBondContact O-CG 3.38Å; L206-L210 PolarHBondContact O-N 3.1Å; L210-K212 PolarHBondContact O-N 2.9Å; L210-I213 PolarHBondContact O-N 3.02Å; L210-I215 HydrophobicContact CD2-CD1 4.04Å; L210-I226 HydrophobicContact CD2-CD1 3.45Å; L210-I226 VanDerWaalsContact CD2-CD1 3.45Å
211Q96.7Very high96.2Very high141 Ų14164.4 Ų64.466%0.65933%0.328SS*.THydrogen-bonded Turntrans-66-14.7173.7-73.7168.472.500113.3S207 E208 A209S207-Q211 WeakPolarHBondContact O-CG 3.27Å; S207-Q211 PolarHBondContact O-NE2 2.94Å; E208-Q211 PolarHBondContact O-N 2.68Å; A209-Q211 PolarHBondContact O-N 3.43Å; A209-Q211 VanDerWaalsContact O-N 3.15Å
212K95.4Very high96.1Very high119 Ų11963.2 Ų63.252%0.51732%0.319SS..THydrogen-bonded Turntrans-1170.9-176.6-57.7-178.9-177.4176.90113.5A209 L210 A266A209-K212 PolarHBondContact O-N 3.46Å; L210-K212 PolarHBondContact O-N 2.9Å; K212-A266 HydrophobicContact CB-CB 3.98Å; K212-A266 HydrophobicContact CD-CB 4.49Å
213I95.2Very high96.1Very high19 Ų1964.4 Ų64.410%0.09733%0.327CS..  trans-109.4121.8-177.3-63.6167.2000108.2A209 L210 I215 I263 A266 F267A209-I213 HydrophobicContact CB-CD1 4.34Å; A209-I213 WeakPolarHBondContact O-CG1 3.42Å; A209-I213 PolarHBondContact O-N 3.48Å; L210-I213 PolarHBondContact O-N 3.02Å; I213-I215 HydrophobicContact CG2-CD1 4.49Å; I213-I215 HydrophobicContact CG2-CG1 4.01Å; I213-I263 HydrophobicContact CD1-CB 4.34Å; I213-I263 HydrophobicContact CD1-CG1 4.13Å; I213-I263 HydrophobicContact CD1-CG2 4.07Å; I213-I263 HydrophobicContact CG1-CG1 4.07Å; I213-I263 HydrophobicContact CG2-CD1 4.45Å; I213-I263 HydrophobicContact CG2-CG1 3.84Å; I213-A266 HydrophobicContact CD1-CB 4.06Å; I213-A266 HydrophobicContact CG1-CB 3.84Å; I213-F267 HydrophobicContact CD1-CD2 4.36Å; I213-F267 HydrophobicContact CD1-CE2 3.92Å
214E93.9Very high96.1Very high128 Ų12861.3 Ų61.360%0.59831%0.309SS*.  trans-78.3135.2171.4-63.3-170163.800110.4I218E214-I218 HydrophobicContact CB-CD1 4.15Å; E214-I218 HydrophobicContact CB-CG1 4.06Å; E214-I218 WeakPolarHBondContact OE2-CG2 3.32Å
215I94.8Very high96.1Very high82 Ų8263 Ų6342%0.42132%0.315SS..  trans-133.5142.5-177.3-59177.9000108.4L210 I213 I226L210-I215 HydrophobicContact CD2-CD1 4.04Å; I213-I215 HydrophobicContact CG2-CD1 4.49Å; I213-I215 HydrophobicContact CG2-CG1 4.01Å; I215-I226 HydrophobicContact CD1-CD1 3.6Å; I215-I226 HydrophobicContact CD1-CG1 3.98Å
216G95.3Very high96Very high34 Ų3464.2 Ų64.235%0.35132%0.321SS..EExtended strand (participates in β ladder)trans103.6-147.3-176.500000111.7I218 T223 A224G216-I218 PolarHBondContact O-N 3.4Å; G216-T223 CarbonylContact O-C 3.59Å; G216-T223 WeakPolarHBondContact O-CA 3.39Å; G216-T223 WeakPolarHBondContact O-CB 3.41Å; G216-A224 PolarHBondContact N-O 3.34Å; G216-A224 PolarHBondContact O-N 3.19Å
217R95.4Very high95.9Very high176 Ų17666.4 Ų66.466%0.66435%0.346SS*.EExtended strand (participates in β ladder)trans-81.4106.9173.3-174.572.956.2177.5-2.1108.6D219R217-D219 WeakPolarHBondContact CD-O 3.29Å; R217-D219 WeakPolarHBondContact CG-O 3.26Å
218I95.8Very high95.9Very high49 Ų4966.1 Ų66.125%0.25134%0.341SS..  trans-79.6-45.9179.7-66.1169.6000109.2E214 G216 T222 A224 L259E214-I218 HydrophobicContact CB-CD1 4.15Å; E214-I218 HydrophobicContact CB-CG1 4.06Å; E214-I218 WeakPolarHBondContact OE2-CG2 3.32Å; G216-I218 PolarHBondContact O-N 3.4Å; I218-T222 HydrophobicContact CB-CG2 4.32Å; I218-T222 HydrophobicContact CD1-CG2 4.26Å; I218-T222 PolarHBondContact N-O 3.16Å; I218-A224 HydrophobicContact CD1-CB 3.87Å; I218-L259 HydrophobicContact CD1-CD1 3.54Å; I218-L259 HydrophobicContact CD1-CD2 3.81Å; I218-L259 HydrophobicContact CD1-CG 4.36Å
219D94.6Very high95.9Very high72 Ų7268.8 Ų68.839%0.38536%0.356SS..SBendtrans-150.1-172.6173.262.947.9000110.6R217 M221 T222R217-D219 WeakPolarHBondContact CD-O 3.29Å; R217-D219 WeakPolarHBondContact CG-O 3.26Å; D219-M221 PolarHBondContact O-N 2.76Å; D219-M221 WeakPolarHBondContact OD1-CA 3.38Å; D219-M221 PolarHBondContact OD1-N 3.14Å; D219-T222 PolarHBondContact N-O 2.99Å; D219-T222 VanDerWaalsContact OD1-CB 3.23Å; D219-T222 WeakPolarHBondContact OD1-CB 3.34Å; D219-T222 PolarHBondContact OD1-N 2.9Å; D219-T222 PolarHBondContact OD1-OG1 2.96Å; D219-T222 VanDerWaalsContact OD1-OG1 3.08Å; D219-T222 PolarHBondContact OD2-OG1 2.79Å
220E90.7Very high95.9Very high169 Ų16973.9 Ų73.979%0.7938%0.383SS*.SBendtrans-61.3-27.3-178.8-65-172.316900113.8
221M93.5Very high95.8Very high66 Ų6673 Ų7333%0.32539%0.388SS..SBendtrans-108.3-10.3-173.9-68.6-174.5177.800113.5D219 S250 V251 I316D219-M221 PolarHBondContact O-N 2.76Å; D219-M221 WeakPolarHBondContact OD1-CA 3.38Å; D219-M221 PolarHBondContact OD1-N 3.14Å; M221-S250 VanDerWaalsContact O-CA 3.32Å; M221-S250 WeakPolarHBondContact O-CA 3.33Å; M221-V251 HydrophobicContact CB-CB 4.04Å; M221-V251 HydrophobicContact CB-CG2 4.02Å; M221-V251 HydrophobicContact CG-CB 4.24Å; M221-V251 HydrophobicContact CG-CG2 4.15Å; M221-V251 PolarHBondContact O-N 2.9Å; M221-V251 VanDerWaalsContact O-N 3.15Å; M221-V251 HydrophobicContact SD-CB 4.2Å; M221-V251 HydrophobicContact SD-CG1 4.39Å; M221-I316 HydrophobicContact CE-CD1 3.7Å; M221-I316 HydrophobicContact CG-CD1 3.86Å
222T95.8Very high95.6Very high2 Ų267.9 Ų67.91%0.01237%0.373CS..EExtended strand (participates in β ladder)trans-132131.5-165.8-51.80000112.6I218 D219 R249 S250 V255 L259I218-T222 HydrophobicContact CB-CG2 4.32Å; I218-T222 HydrophobicContact CD1-CG2 4.26Å; I218-T222 PolarHBondContact N-O 3.16Å; D219-T222 PolarHBondContact N-O 2.99Å; D219-T222 VanDerWaalsContact OD1-CB 3.23Å; D219-T222 WeakPolarHBondContact OD1-CB 3.34Å; D219-T222 PolarHBondContact OD1-N 2.9Å; D219-T222 PolarHBondContact OD1-OG1 2.96Å; D219-T222 VanDerWaalsContact OD1-OG1 3.08Å; D219-T222 PolarHBondContact OD2-OG1 2.79Å; T222-R249 CarbonylContact C-O 3.55Å; T222-R249 VanDerWaalsContact CA-O 3.29Å; T222-R249 WeakPolarHBondContact CA-O 3.29Å; T222-S250 PolarHBondContact OG1-OG 3.44Å; T222-V255 HydrophobicContact CG2-CG1 3.97Å; T222-L259 HydrophobicContact CG2-CD1 3.36Å
223T96.7Very high95.3Very high25 Ų2568.7 Ų68.715%0.15338%0.383CS..EExtended strand (participates in β ladder)trans-135.1147.7172.964.70000111.3G216 R249G216-T223 CarbonylContact O-C 3.59Å; G216-T223 WeakPolarHBondContact O-CA 3.39Å; G216-T223 WeakPolarHBondContact O-CB 3.41Å; T223-R249 PolarHBondContact N-O 3.29Å; T223-R249 PolarHBondContact O-N 2.95Å; T223-R249 WeakPolarHBondContact OG1-CB 3.4Å
224A97.6Very high95.3Very high4 Ų469.9 Ų69.93%0.03340%0.396CS..EExtended strand (participates in β ladder)trans-130.9147.3169.500000110.1G216 I218 E247 V248G216-A224 PolarHBondContact N-O 3.34Å; G216-A224 PolarHBondContact O-N 3.19Å; I218-A224 HydrophobicContact CD1-CB 3.87Å; A224-E247 CarbonylContact C-O 3.55Å; A224-E247 WeakPolarHBondContact CA-O 3.37Å; A224-V248 HydrophobicContact CB-CG2 4.22Å
225N98Very high95.3Very high73 Ų7371 Ų7139%0.3941%0.411SS..EExtended strand (participates in β ladder)trans-145.6147-180-172.939.1000112G246 E247N225-G246 CarbonylContact O-C 3.53Å; N225-G246 WeakPolarHBondContact O-CA 3.46Å; N225-E247 HydrophobicContact CB-CG 4.07Å; N225-E247 PolarHBondContact N-O 2.96Å; N225-E247 PolarHBondContact O-N 3.36Å
226I97.9Very high95.5Very high26 Ų2670.9 Ų70.913%0.13341%0.412CS..EExtended strand (participates in β ladder)trans-111.2106.5164.2-62.9174.2000107.1Y181 L210 I215 I229 L244Y181-I226 WeakPolarHBondContact OH-CG1 3.38Å; L210-I226 HydrophobicContact CD2-CD1 3.45Å; L210-I226 VanDerWaalsContact CD2-CD1 3.45Å; I215-I226 HydrophobicContact CD1-CD1 3.6Å; I215-I226 HydrophobicContact CD1-CG1 3.98Å; I226-I229 HydrophobicContact CG2-CD1 4.12Å; I226-I229 HydrophobicContact CG2-CG1 3.81Å; I226-L244 HydrophobicContact CD1-CD1 3.88Å; I226-L244 HydrophobicContact CG1-CD1 4.36Å; I226-L244 HydrophobicContact CG2-CB 4.26Å; I226-L244 HydrophobicContact CG2-CD1 4.16Å
227G96.1Very high95.6Very high55 Ų5572.6 Ų72.657%0.56741%0.412SS*.EExtended strand (participates in β ladder)trans-85.1-28.5-174.100000114.1K245G227-K245 PolarHBondContact N-O 3.04Å
228T97.6Very high95.7Very high61 Ų6165.1 Ų65.137%0.37439%0.386SS..EExtended strand (participates in β ladder)trans-142.3145.7-179.671.20000112.3L244 K245T228-L244 WeakPolarHBondContact O-CA 3.42Å; T228-L244 WeakPolarHBondContact O-CB 3.08Å; T228-K245 PolarHBondContact N-O 3.05Å; T228-K245 PolarHBondContact O-N 3.23Å; T228-K245 WeakPolarHBondContact OG1-CB 3.4Å
229I98Very high95.8Very high85 Ų8565.1 Ų65.144%0.43639%0.385SS..EExtended strand (participates in β ladder)trans-140.2123.1172.4-57.9174.6000107.3L206 I226 L242 L244L206-I229 HydrophobicContact CD2-CD1 4.24Å; L206-I229 HydrophobicContact CD2-CG2 4.1Å; I226-I229 HydrophobicContact CG2-CD1 4.12Å; I226-I229 HydrophobicContact CG2-CG1 3.81Å; I229-L242 HydrophobicContact CG2-CD1 3.52Å; I229-L242 HydrophobicContact CG2-CD2 4.28Å; I229-L242 HydrophobicContact CG2-CG 4.01Å; I229-L244 HydrophobicContact CG1-CB 4.12Å
230N97.9Very high95.9Very high107 Ų10763.5 Ų63.557%0.57238%0.377SS*.EExtended strand (participates in β ladder)trans-133.8127.1179.7-64.8-77.6000109.9L242 V243N230-L242 CarbonylContact O-C 3.58Å; N230-L242 WeakPolarHBondContact O-CA 3.4Å; N230-V243 PolarHBondContact N-O 3.31Å; N230-V243 PolarHBondContact O-N 3.44Å
231G95.8Very high96.3Very high41 Ų4157.7 Ų57.742%0.42336%0.355SS..EExtended strand (participates in β ladder)trans-173.6163.517900000113.7S241G231-S241 WeakPolarHBondContact CA-O 3.49Å
232G90.6Very high96.5Very high33 Ų3354.8 Ų54.834%0.3434%0.341SS..  trans81.9145179.900000114.6S241G232-S241 PolarHBondContact N-O 3.04Å
233N90.6Very high96.6Very high135 Ų13557 Ų5772%0.72235%0.354SS*.SBendtrans-112.7-29.9-177-66.7-51.2000113.6
234A94.2Very high96.7Very high45 Ų4555.9 Ų55.937%0.37235%0.347SS..  trans-158.5154.5-179.600000110.6N236 I237A234-N236 VanDerWaalsContact C-N 3.26Å; A234-N236 WeakPolarHBondContact CB-OD1 3.49Å; A234-N236 PolarHBondContact O-N 2.95Å; A234-I237 HydrophobicContact CB-CD1 4.01Å; A234-I237 HydrophobicContact CB-CG1 4.22Å; A234-I237 PolarHBondContact O-N 2.92Å
235T95.4Very high96.7Very high151 Ų15160.8 Ų60.893%0.92637%0.367SS*.THydrogen-bonded Turntrans-71.9-18.2-178.7540000113.8
236N97.3Very high96.7Very high79 Ų7957.7 Ų57.742%0.42235%0.353SS..THydrogen-bonded Turntrans-95.36.5179.567.8-33.2000113.9S192 A234S192-N236 WeakPolarHBondContact CB-O 3.49Å; S192-N236 PolarHBondContact N-O 3.47Å; S192-N236 VanDerWaalsContact OG-CA 3.24Å; S192-N236 WeakPolarHBondContact OG-CA 3.26Å; S192-N236 PolarHBondContact OG-O 3.03Å; A234-N236 VanDerWaalsContact C-N 3.26Å; A234-N236 WeakPolarHBondContact CB-OD1 3.49Å; A234-N236 PolarHBondContact O-N 2.95Å
237I97.2Very high96.7Very high71 Ų7158.6 Ų58.636%0.36436%0.357SS..BIsolated β-bridgetrans-118.7134.5-179.3-58.3175.5000109A234 M239A234-I237 HydrophobicContact CB-CD1 4.01Å; A234-I237 HydrophobicContact CB-CG1 4.22Å; A234-I237 PolarHBondContact O-N 2.92Å; I237-M239 PolarHBondContact O-N 2.52Å
238V97.7Very high96.8Very high18 Ų1856 Ų5611%0.10933%0.33CS..  trans-58.7119.7168.51760000108.3A190 P196 D240A190-V238 HydrophobicContact CB-CB 4.49Å; A190-V238 HydrophobicContact CB-CG2 4.12Å; A190-V238 PolarHBondContact O-N 2.97Å; P196-V238 HydrophobicContact CB-CG2 4.16Å; V238-D240 PolarHBondContact O-N 3.2Å; V238-D240 VanDerWaalsContact O-N 3.07Å
239M98.1Very high96.8Very high49 Ų4955.9 Ų55.924%0.24132%0.323CS..  trans-57.6113.3-179.1-179.3-174.1-66.600110.4S201 A202 V203 I237 S241 L242S201-M239 WeakPolarHBondContact CA-O 3.24Å; A202-M239 HydrophobicContact CB-CG 4.28Å; A202-M239 PolarHBondContact N-O 3.21Å; V203-M239 HydrophobicContact CB-SD 3.89Å; V203-M239 HydrophobicContact CG1-SD 4.4Å; I237-M239 PolarHBondContact O-N 2.52Å; M239-S241 WeakPolarHBondContact CG-O 3.44Å; M239-L242 HydrophobicContact SD-CB 4.33Å; M239-L242 HydrophobicContact SD-CD1 4.03Å
240D97.7Very high96.7Very high39 Ų3951.8 Ų51.821%0.20930%0.302CS..  trans-101.8-5.7-175.264.7-0.3000113.5K186 G187 S189 V238K186-D240 CarbonylContact C-O 3.59Å; G187-D240 PolarHBondContact N-O 3.17Å; S189-D240 WeakPolarHBondContact CB-OD2 3.38Å; S189-D240 VanDerWaalsContact N-CB 3.32Å; S189-D240 PolarHBondContact OG-OD2 2.83Å; V238-D240 PolarHBondContact O-N 3.2Å; V238-D240 VanDerWaalsContact O-N 3.07Å
241S98Very high96.6Very high46 Ų4647 Ų4732%0.32228%0.276SS..EExtended strand (participates in β ladder)trans-151.6140.6-176.747.90000111V185 G231 G232 M239V185-S241 WeakPolarHBondContact O-CA 3.35Å; G231-S241 WeakPolarHBondContact CA-O 3.49Å; G232-S241 PolarHBondContact N-O 3.04Å; M239-S241 WeakPolarHBondContact CG-O 3.44Å
242L97.6Very high96.5Very high6 Ų648 Ų483%0.03127%0.272CS..EExtended strand (participates in β ladder)trans-151.7139.7176.4175.1138.2000109.6V185 A202 L206 I229 N230 M239 L244V185-L242 HydrophobicContact CB-CB 4.47Å; V185-L242 HydrophobicContact CG2-CD2 4.13Å; V185-L242 PolarHBondContact N-O 3.22Å; V185-L242 PolarHBondContact O-N 3.42Å; A202-L242 HydrophobicContact CB-CB 4.1Å; L206-L242 HydrophobicContact CB-CD2 4.42Å; L206-L242 HydrophobicContact CD2-CD1 3.73Å; L206-L242 HydrophobicContact CD2-CD2 3.88Å; L206-L242 HydrophobicContact CD2-CG 4.48Å; I229-L242 HydrophobicContact CG2-CD1 3.52Å; I229-L242 HydrophobicContact CG2-CD2 4.28Å; I229-L242 HydrophobicContact CG2-CG 4.01Å; N230-L242 CarbonylContact O-C 3.58Å; N230-L242 WeakPolarHBondContact O-CA 3.4Å; M239-L242 HydrophobicContact SD-CB 4.33Å; M239-L242 HydrophobicContact SD-CD1 4.03Å; L242-L244 HydrophobicContact CD2-CB 4.47Å; L242-L244 HydrophobicContact CD2-CD2 3.56Å
243V98.6Very high96.6Very high49 Ų4948.7 Ų48.730%0.29727%0.27SS..EExtended strand (participates in β ladder)trans-120.2131.2172.6-175.90000108.3E182 I183 Q184 N230E182-V243 HydrophobicContact CG-CG1 3.69Å; I183-V243 WeakPolarHBondContact O-CA 3.42Å; Q184-V243 HydrophobicContact CG-CG1 4.31Å; Q184-V243 HydrophobicContact CG-CG2 4.1Å; N230-V243 PolarHBondContact N-O 3.31Å; N230-V243 PolarHBondContact O-N 3.44Å
244L98.3Very high96.9Very high0 Ų047.4 Ų47.40%026%0.26CS..EExtended strand (participates in β ladder)trans-123.5148.217164149.8000111.1E182 I183 V185 L206 I226 T228 I229 L242 F267E182-L244 WeakPolarHBondContact CA-O 3Å; I183-L244 HydrophobicContact CB-CD2 3.69Å; I183-L244 HydrophobicContact CB-CG 3.95Å; I183-L244 HydrophobicContact CG2-CD2 3.93Å; I183-L244 PolarHBondContact N-O 3Å; I183-L244 WeakPolarHBondContact O-CD2 3.26Å; I183-L244 PolarHBondContact O-N 2.74Å; V185-L244 HydrophobicContact CG2-CD2 4.26Å; L206-L244 HydrophobicContact CD1-CD1 4.19Å; L206-L244 HydrophobicContact CD1-CD2 4.21Å; I226-L244 HydrophobicContact CD1-CD1 3.88Å; I226-L244 HydrophobicContact CG1-CD1 4.36Å; I226-L244 HydrophobicContact CG2-CB 4.26Å; I226-L244 HydrophobicContact CG2-CD1 4.16Å; T228-L244 WeakPolarHBondContact O-CA 3.42Å; T228-L244 WeakPolarHBondContact O-CB 3.08Å; I229-L244 HydrophobicContact CG1-CB 4.12Å; L242-L244 HydrophobicContact CD2-CB 4.47Å; L242-L244 HydrophobicContact CD2-CD2 3.56Å; L244-F267 HydrophobicContact CD1-CE2 4.41Å; L244-F267 HydrophobicContact CD1-CZ 3.97Å; L244-F267 HydrophobicContact CD2-CE1 4.19Å; L244-F267 HydrophobicContact CD2-CZ 3.79Å
245K98.6Very high97Very high107 Ų10747.4 Ų47.447%0.46526%0.255SS..EExtended strand (participates in β ladder)trans-123.6133.4173.1-57.7-179170.6-166.40109.8Y181 E182 G227 T228Y181-K245 WeakPolarHBondContact O-CA 2.91Å; E182-K245 HydrophobicContact CB-CG 4.36Å; E182-K245 HydrophobicContact CG-CG 4.19Å; E182-K245 WeakPolarHBondContact OE2-CE 3.33Å; E182-K245 IonicContact OE2-NZ 2.6Å; E182-K245 PolarHBondContact OE2-NZ 3.32Å; G227-K245 PolarHBondContact N-O 3.04Å; T228-K245 PolarHBondContact N-O 3.05Å; T228-K245 PolarHBondContact O-N 3.23Å; T228-K245 WeakPolarHBondContact OG1-CB 3.4Å
246G98.2Very high97Very high9 Ų940.2 Ų40.29%0.09321%0.211CC..EExtended strand (participates in β ladder)trans-141.1177.5178.400000112.6M180 Y181 N225M180-G246 WeakPolarHBondContact CA-O 3.26Å; Y181-G246 VanDerWaalsContact CE1-C 3.45Å; Y181-G246 PolarHBondContact N-O 3.41Å; Y181-G246 PolarHBondContact O-N 3.08Å; N225-G246 CarbonylContact O-C 3.53Å; N225-G246 WeakPolarHBondContact O-CA 3.46Å
247E97.8Very high97Very high45 Ų4541.8 Ų41.821%0.2122%0.216CC..EExtended strand (participates in β ladder)trans-139.1153.2174.659165.5-141.100111.6L178 F179 M180 A224 N225 R249L178-E247 HydrophobicContact CD1-CB 3.71Å; L178-E247 HydrophobicContact CD1-CG 4.34Å; L178-E247 WeakPolarHBondContact CD1-OE2 3.36Å; F179-E247 CarbonylContact O-C 3.56Å; F179-E247 WeakPolarHBondContact O-CA 3.44Å; F179-E247 WeakPolarHBondContact O-CB 3.32Å; M180-E247 HydrophobicContact CG-CB 4.23Å; A224-E247 CarbonylContact C-O 3.55Å; A224-E247 WeakPolarHBondContact CA-O 3.37Å; N225-E247 HydrophobicContact CB-CG 4.07Å; N225-E247 PolarHBondContact N-O 2.96Å; N225-E247 PolarHBondContact O-N 3.36Å; E247-R249 IonicContact OE1-CZ 3.21Å; E247-R249 IonicContact OE1-NE 3.94Å; E247-R249 PolarHBondContact OE1-NE 2.87Å; E247-R249 IonicContact OE1-NH2 2.72Å; E247-R249 PolarHBondContact OE1-NH2 3.15Å; E247-R249 IonicContact OE2-CZ 2.64Å; E247-R249 IonicContact OE2-NE 3.33Å; E247-R249 IonicContact OE2-NH2 2.87Å; E247-R249 PolarHBondContact OE2-NH2 2.79Å
248V97.7Very high97Very high0 Ų042.3 Ų42.30%022%0.216CC..EExtended strand (participates in β ladder)trans-127.6132168.5-177.80000108.1F179 Y181 A224 A256 L259 L260 I263F179-V248 PolarHBondContact N-O 3.26Å; F179-V248 PolarHBondContact O-N 3.34Å; Y181-V248 HydrophobicContact CD1-CG2 4.47Å; Y181-V248 HydrophobicContact CE1-CG2 4.07Å; A224-V248 HydrophobicContact CB-CG2 4.22Å; V248-A256 HydrophobicContact CG1-CB 3.77Å; V248-L259 HydrophobicContact CG1-CB 3.94Å; V248-L259 HydrophobicContact CG1-CD1 3.64Å; V248-L259 HydrophobicContact CG1-CG 4.46Å; V248-L259 HydrophobicContact CG2-CB 4.4Å; V248-L260 HydrophobicContact CG2-CD2 4.08Å; V248-L260 HydrophobicContact CG2-CG 4.29Å; V248-I263 HydrophobicContact CG2-CD1 4.09Å
249R96.9Very high97Very high58 Ų5842.3 Ų42.322%0.21922%0.216CC..EExtended strand (participates in β ladder)trans-121.1129.8175.2-64.8177.6-172.1-102.9-13.5108.9P176 T177 L178 T222 T223 E247 G318P176-R249 HydrophobicContact CB-CB 3.79Å; P176-R249 HydrophobicContact CG-CB 4.09Å; P176-R249 HydrophobicContact CG-CG 4.48Å; T177-R249 VanDerWaalsContact O-CA 3.27Å; T177-R249 WeakPolarHBondContact O-CA 3.24Å; L178-R249 HydrophobicContact CB-CG 4.3Å; L178-R249 HydrophobicContact CD1-CG 3.56Å; L178-R249 HydrophobicContact CG-CG 4.49Å; T222-R249 CarbonylContact C-O 3.55Å; T222-R249 VanDerWaalsContact CA-O 3.29Å; T222-R249 WeakPolarHBondContact CA-O 3.29Å; T223-R249 PolarHBondContact N-O 3.29Å; T223-R249 PolarHBondContact O-N 2.95Å; T223-R249 WeakPolarHBondContact OG1-CB 3.4Å; E247-R249 IonicContact OE1-CZ 3.21Å; E247-R249 IonicContact OE1-NE 3.94Å; E247-R249 PolarHBondContact OE1-NE 2.87Å; E247-R249 IonicContact OE1-NH2 2.72Å; E247-R249 PolarHBondContact OE1-NH2 3.15Å; E247-R249 IonicContact OE2-CZ 2.64Å; E247-R249 IonicContact OE2-NE 3.33Å; E247-R249 IonicContact OE2-NH2 2.87Å; E247-R249 PolarHBondContact OE2-NH2 2.79Å; R249-G318 PolarHBondContact NH1-O 3.42Å; R249-G318 VanDerWaalsContact NH1-O 3.08Å
250S96.4Very high97Very high0 Ų040.6 Ų40.60%021%0.208CC..EExtended strand (participates in β ladder)trans-147.3141.7165.6-168.70000111.7P176 T177 M221 T222 L252P176-S250 CarbonylContact C-O 3.5Å; P176-S250 WeakPolarHBondContact CA-O 3.46Å; T177-S250 PolarHBondContact N-O 2.68Å; T177-S250 PolarHBondContact O-N 2.78Å; M221-S250 VanDerWaalsContact O-CA 3.32Å; M221-S250 WeakPolarHBondContact O-CA 3.33Å; T222-S250 PolarHBondContact OG1-OG 3.44Å; S250-L252 VanDerWaalsContact CB-O 3.32Å; S250-L252 WeakPolarHBondContact CB-O 3.36Å; S250-L252 PolarHBondContact O-N 2.95Å; S250-L252 PolarHBondContact OG-N 3.19Å; S250-L252 PolarHBondContact OG-O 2.78Å
251V95.5Very high97.1Very high6 Ų643.8 Ų43.84%0.03622%0.22CC..SBendtrans-58.9-29.5168.3176.10000111.1A174 M221 P253 N290 I316A174-V251 HydrophobicContact CB-CG1 3.79Å; A174-V251 HydrophobicContact CB-CG2 4.2Å; M221-V251 HydrophobicContact CB-CB 4.04Å; M221-V251 HydrophobicContact CB-CG2 4.02Å; M221-V251 HydrophobicContact CG-CB 4.24Å; M221-V251 HydrophobicContact CG-CG2 4.15Å; M221-V251 PolarHBondContact O-N 2.9Å; M221-V251 VanDerWaalsContact O-N 3.15Å; M221-V251 HydrophobicContact SD-CB 4.2Å; M221-V251 HydrophobicContact SD-CG1 4.39Å; V251-P253 WeakPolarHBondContact O-CD 3.45Å; V251-N290 HydrophobicContact CG1-CB 3.75Å; V251-I316 HydrophobicContact CG2-CG2 3.55Å
252L94.1Very high97.1Very high63 Ų6345.4 Ų45.433%0.3322%0.222SC..SBendtrans-100.2104.7175.6-62.2-178.3000109.1S250 E254 V255 A256S250-L252 VanDerWaalsContact CB-O 3.32Å; S250-L252 WeakPolarHBondContact CB-O 3.36Å; S250-L252 PolarHBondContact O-N 2.95Å; S250-L252 PolarHBondContact OG-N 3.19Å; S250-L252 PolarHBondContact OG-O 2.78Å; L252-E254 PolarHBondContact O-N 3.02Å; L252-E254 VanDerWaalsContact O-N 3.14Å; L252-V255 HydrophobicContact CB-CB 4.15Å; L252-V255 HydrophobicContact CB-CG2 3.71Å; L252-V255 HydrophobicContact CD1-CG2 4.07Å; L252-V255 WeakPolarHBondContact O-CB 2.96Å; L252-V255 PolarHBondContact O-N 2.87Å; L252-A256 PolarHBondContact O-N 3.08Å
253P93.3Very high97.1Very high46 Ų4645.3 Ų45.330%0.29922%0.222SC..Hα-helixtrans-53.2-37.9-176.3-24.332.1000113.2V251 V255 A256 E257V251-P253 WeakPolarHBondContact O-CD 3.45Å; P253-V255 VanDerWaalsContact C-N 3.28Å; P253-V255 PolarHBondContact O-N 2.83Å; P253-A256 PolarHBondContact O-N 3.16Å; P253-A256 VanDerWaalsContact O-N 3.16Å; P253-E257 WeakPolarHBondContact O-CG 3.28Å; P253-E257 PolarHBondContact O-N 3.03Å
254E96.3Very high97.1Very high109 Ų10947.7 Ų47.751%0.50923%0.23SC..Hα-helixtrans-63-30.9178.566.4-83.8-162.400113.3L252 Q258L252-E254 PolarHBondContact O-N 3.02Å; L252-E254 VanDerWaalsContact O-N 3.14Å; E254-Q258 VanDerWaalsContact O-CB 3.26Å; E254-Q258 WeakPolarHBondContact O-CB 3.38Å; E254-Q258 PolarHBondContact O-N 3.29Å
255V96.3Very high97.1Very high45 Ų4552.6 Ų52.627%0.27325%0.253SS..Hα-helixtrans-72.3-41.8175.4175.60000109.8T222 L252 P253 Q258 L259T222-V255 HydrophobicContact CG2-CG1 3.97Å; L252-V255 HydrophobicContact CB-CB 4.15Å; L252-V255 HydrophobicContact CB-CG2 3.71Å; L252-V255 HydrophobicContact CD1-CG2 4.07Å; L252-V255 WeakPolarHBondContact O-CB 2.96Å; L252-V255 PolarHBondContact O-N 2.87Å; P253-V255 VanDerWaalsContact C-N 3.28Å; P253-V255 PolarHBondContact O-N 2.83Å; V255-Q258 PolarHBondContact O-N 3.5Å; V255-L259 WeakPolarHBondContact O-CG 3.34Å; V255-L259 PolarHBondContact O-N 3.21Å
256A96.1Very high97.1Very high0 Ų047.7 Ų47.70%023%0.232CC..Hα-helixtrans-64.4-41.7175.300000112F179 V248 L252 P253 Q258 L259 L260F179-A256 HydrophobicContact CD2-CB 3.79Å; F179-A256 HydrophobicContact CE2-CB 3.85Å; V248-A256 HydrophobicContact CG1-CB 3.77Å; L252-A256 PolarHBondContact O-N 3.08Å; P253-A256 PolarHBondContact O-N 3.16Å; P253-A256 VanDerWaalsContact O-N 3.16Å; A256-Q258 VanDerWaalsContact C-N 3.34Å; A256-L259 PolarHBondContact O-N 3.35Å; A256-L260 WeakPolarHBondContact O-CG 3.14Å; A256-L260 PolarHBondContact O-N 2.96Å
257E97.5Very high97.1Very high111 Ų11147.2 Ų47.252%0.51923%0.227SC..Hα-helixtrans-62.4-40.2174.4-72.1174.5-176.700112.1F179 P253 L260 K261F179-E257 HydrophobicContact CE2-CG 4.26Å; F179-E257 HydrophobicContact CZ-CG 3.97Å; P253-E257 WeakPolarHBondContact O-CG 3.28Å; P253-E257 PolarHBondContact O-N 3.03Å; E257-L260 PolarHBondContact O-N 3.09Å; E257-K261 PolarHBondContact O-N 2.99Å; E257-K261 VanDerWaalsContact O-N 3.09Å
258Q97.3Very high97.1Very high82 Ų8247 Ų4738%0.38323%0.231SC..Hα-helixtrans-65.9-40.8176.4-179.853.144.600111.9E254 V255 A256 L260 K261 E262E254-Q258 VanDerWaalsContact O-CB 3.26Å; E254-Q258 WeakPolarHBondContact O-CB 3.38Å; E254-Q258 PolarHBondContact O-N 3.29Å; V255-Q258 PolarHBondContact O-N 3.5Å; A256-Q258 VanDerWaalsContact C-N 3.34Å; Q258-L260 PolarHBondContact O-N 3.25Å; Q258-K261 WeakPolarHBondContact O-CB 3.29Å; Q258-K261 PolarHBondContact O-N 3.14Å; Q258-E262 PolarHBondContact NE2-OE1 2.99Å; Q258-E262 WeakPolarHBondContact O-CG 3.47Å; Q258-E262 PolarHBondContact O-N 2.66Å
259L97.5Very high97.2Very high19 Ų1948.5 Ų48.510%0.09924%0.243CC..Hα-helixtrans-63.5-39.7174.2-75173.3000112.6I218 T222 V248 V255 A256 K261 E262 I263I218-L259 HydrophobicContact CD1-CD1 3.54Å; I218-L259 HydrophobicContact CD1-CD2 3.81Å; I218-L259 HydrophobicContact CD1-CG 4.36Å; T222-L259 HydrophobicContact CG2-CD1 3.36Å; V248-L259 HydrophobicContact CG1-CB 3.94Å; V248-L259 HydrophobicContact CG1-CD1 3.64Å; V248-L259 HydrophobicContact CG1-CG 4.46Å; V248-L259 HydrophobicContact CG2-CB 4.4Å; V255-L259 WeakPolarHBondContact O-CG 3.34Å; V255-L259 PolarHBondContact O-N 3.21Å; A256-L259 PolarHBondContact O-N 3.35Å; L259-K261 VanDerWaalsContact C-N 3.28Å; L259-K261 PolarHBondContact O-N 2.98Å; L259-E262 PolarHBondContact O-N 3.18Å; L259-I263 VanDerWaalsContact O-CG1 3.31Å; L259-I263 WeakPolarHBondContact O-CG1 3.39Å; L259-I263 PolarHBondContact O-N 3Å
260L98.3Very high97.2Very high13 Ų1345.7 Ų45.77%0.06823%0.232CC..Hα-helixtrans-60.6-40.4174-72.4165000111.6F179 Y181 V248 A256 E257 Q258 I263 E264 M280 V282F179-L260 HydrophobicContact CB-CD1 3.76Å; F179-L260 HydrophobicContact CD1-CD1 4.03Å; F179-L260 HydrophobicContact CD2-CD1 4.07Å; F179-L260 HydrophobicContact CG-CD1 3.71Å; Y181-L260 HydrophobicContact CD1-CD2 3.67Å; Y181-L260 HydrophobicContact CE1-CD2 4.44Å; Y181-L260 HydrophobicContact CG-CD2 4.17Å; V248-L260 HydrophobicContact CG2-CD2 4.08Å; V248-L260 HydrophobicContact CG2-CG 4.29Å; A256-L260 WeakPolarHBondContact O-CG 3.14Å; A256-L260 PolarHBondContact O-N 2.96Å; E257-L260 PolarHBondContact O-N 3.09Å; Q258-L260 PolarHBondContact O-N 3.25Å; L260-I263 WeakPolarHBondContact O-CB 3.38Å; L260-I263 PolarHBondContact O-N 3Å; L260-E264 PolarHBondContact O-N 3.43Å; L260-M280 HydrophobicContact CB-CE 4.43Å; L260-M280 HydrophobicContact CD2-CE 3.84Å; L260-V282 HydrophobicContact CD1-CG1 3.71Å; L260-V282 HydrophobicContact CD2-CG1 4.18Å; L260-V282 HydrophobicContact CD2-CG2 4.15Å
261K98.1Very high97.3Very high105 Ų10546.9 Ų46.946%0.45724%0.239SC..Hα-helixtrans-65.7-40.6175.2-176.3180172.3-169.20112.2E257 Q258 L259 I263 E264 E265E257-K261 PolarHBondContact O-N 2.99Å; E257-K261 VanDerWaalsContact O-N 3.09Å; Q258-K261 WeakPolarHBondContact O-CB 3.29Å; Q258-K261 PolarHBondContact O-N 3.14Å; L259-K261 VanDerWaalsContact C-N 3.28Å; L259-K261 PolarHBondContact O-N 2.98Å; K261-I263 VanDerWaalsContact C-N 3.31Å; K261-I263 PolarHBondContact O-N 2.8Å; K261-E264 PolarHBondContact O-N 3.45Å; K261-E265 WeakPolarHBondContact CE-OE1 3.17Å; K261-E265 HydrophobicContact CG-CG 4.5Å; K261-E265 WeakPolarHBondContact O-CB 3.5Å; K261-E265 WeakPolarHBondContact O-CG 3.47Å; K261-E265 PolarHBondContact O-N 3.19Å
262E97.8Very high97.4Very high80 Ų8054.6 Ų54.637%0.37428%0.275SS..Hα-helixtrans-62.9-38.3175.5-74.1167.5-162.700112.1Q258 L259 E265 A266Q258-E262 PolarHBondContact NE2-OE1 2.99Å; Q258-E262 WeakPolarHBondContact O-CG 3.47Å; Q258-E262 PolarHBondContact O-N 2.66Å; L259-E262 PolarHBondContact O-N 3.18Å; E262-E265 PolarHBondContact O-N 3.29Å; E262-A266 WeakPolarHBondContact O-CB 3.04Å; E262-A266 PolarHBondContact O-N 3.12Å
263I98.5Very high97.6Very high5 Ų557.2 Ų57.23%0.02628%0.284CS..Hα-helixtrans-60.6-49.9171.8-68.7161.8000110.2Y181 I183 I213 V248 L259 L260 K261 E265 A266 F267 M280Y181-I263 HydrophobicContact CE1-CD1 3.81Å; Y181-I263 HydrophobicContact CE2-CG2 4.26Å; I183-I263 HydrophobicContact CD1-CG2 3.54Å; I213-I263 HydrophobicContact CD1-CB 4.34Å; I213-I263 HydrophobicContact CD1-CG1 4.13Å; I213-I263 HydrophobicContact CD1-CG2 4.07Å; I213-I263 HydrophobicContact CG1-CG1 4.07Å; I213-I263 HydrophobicContact CG2-CD1 4.45Å; I213-I263 HydrophobicContact CG2-CG1 3.84Å; V248-I263 HydrophobicContact CG2-CD1 4.09Å; L259-I263 VanDerWaalsContact O-CG1 3.31Å; L259-I263 WeakPolarHBondContact O-CG1 3.39Å; L259-I263 PolarHBondContact O-N 3Å; L260-I263 WeakPolarHBondContact O-CB 3.38Å; L260-I263 PolarHBondContact O-N 3Å; K261-I263 VanDerWaalsContact C-N 3.31Å; K261-I263 PolarHBondContact O-N 2.8Å; I263-E265 VanDerWaalsContact C-N 3.34Å; I263-E265 PolarHBondContact O-N 3.15Å; I263-A266 WeakPolarHBondContact O-CB 3.2Å; I263-A266 PolarHBondContact O-N 2.63Å; I263-F267 HydrophobicContact CG2-CD2 4.09Å; I263-F267 HydrophobicContact CG2-CE2 4.13Å; I263-F267 WeakPolarHBondContact O-CD2 3.49Å; I263-F267 PolarHBondContact O-N 2.97Å; I263-F267 VanDerWaalsContact O-N 3.11Å; I263-M280 HydrophobicContact CB-CE 4.37Å; I263-M280 HydrophobicContact CG2-CE 4.01Å; I263-M280 HydrophobicContact CG2-SD 4.17Å
264E98.4Very high97.8Very high99 Ų9959.5 Ų59.546%0.46329%0.287SS..Hα-helixtrans-60.4-41.2178.7-170.6178.2-169.100112.5L260 K261 F267 S268 F278 M280L260-E264 PolarHBondContact O-N 3.43Å; K261-E264 PolarHBondContact O-N 3.45Å; E264-F267 PolarHBondContact O-N 2.63Å; E264-S268 WeakPolarHBondContact O-CB 3.35Å; E264-S268 PolarHBondContact O-N 2.72Å; E264-S268 PolarHBondContact O-OG 3.11Å; E264-F278 HydrophobicContact CG-CE2 4.01Å; E264-F278 HydrophobicContact CG-CZ 3.87Å; E264-M280 HydrophobicContact CB-SD 3.96Å; E264-M280 HydrophobicContact CG-SD 4.45Å
265E98.4Very high97.7Very high103 Ų10355.6 Ų55.648%0.48128%0.276SS..Hα-helixtrans-65.6-38.2176.3-74.1178.8-177.300112.1K261 E262 I263 S268 A269K261-E265 WeakPolarHBondContact CE-OE1 3.17Å; K261-E265 HydrophobicContact CG-CG 4.5Å; K261-E265 WeakPolarHBondContact O-CB 3.5Å; K261-E265 WeakPolarHBondContact O-CG 3.47Å; K261-E265 PolarHBondContact O-N 3.19Å; E262-E265 PolarHBondContact O-N 3.29Å; I263-E265 VanDerWaalsContact C-N 3.34Å; I263-E265 PolarHBondContact O-N 3.15Å; E265-S268 PolarHBondContact O-N 2.93Å; E265-A269 WeakPolarHBondContact O-CB 3.37Å; E265-A269 PolarHBondContact O-N 2.86Å
266A98.5Very high97.8Very high3 Ų355.2 Ų55.23%0.02528%0.282CS..Hα-helixtrans-62.7-45.1175.900000111.8A209 K212 I213 E262 I263 A269 A270A209-A266 HydrophobicContact CB-CB 4.18Å; K212-A266 HydrophobicContact CB-CB 3.98Å; K212-A266 HydrophobicContact CD-CB 4.49Å; I213-A266 HydrophobicContact CD1-CB 4.06Å; I213-A266 HydrophobicContact CG1-CB 3.84Å; E262-A266 WeakPolarHBondContact O-CB 3.04Å; E262-A266 PolarHBondContact O-N 3.12Å; I263-A266 WeakPolarHBondContact O-CB 3.2Å; I263-A266 PolarHBondContact O-N 2.63Å; A266-A269 PolarHBondContact O-N 3.02Å; A266-A270 WeakPolarHBondContact O-CB 3.28Å; A266-A270 PolarHBondContact O-N 2.99Å
267F98.6Very high97.9Very high0 Ų058 Ų580%030%0.301CS..Hα-helixtrans-67.1-39.8175-83.8-83.9000112.5I183 V185 I205 L206 A209 I213 L244 I263 E264 A269 A270 V271 F278I183-F267 HydrophobicContact CD1-CD2 3.63Å; I183-F267 HydrophobicContact CD1-CE2 3.39Å; I183-F267 HydrophobicContact CD1-CG 4.45Å; I183-F267 HydrophobicContact CD1-CZ 4.06Å; I183-F267 HydrophobicContact CG2-CD1 4.04Å; I183-F267 HydrophobicContact CG2-CD2 4.41Å; I183-F267 HydrophobicContact CG2-CE1 3.93Å; I183-F267 HydrophobicContact CG2-CE2 4.32Å; I183-F267 HydrophobicContact CG2-CG 4.29Å; I183-F267 HydrophobicContact CG2-CZ 4.08Å; V185-F267 HydrophobicContact CG2-CD1 4.02Å; V185-F267 HydrophobicContact CG2-CE1 3.59Å; I205-F267 HydrophobicContact CG2-CD1 4.34Å; L206-F267 HydrophobicContact CD1-CE1 4.22Å; L206-F267 HydrophobicContact CD1-CZ 3.8Å; A209-F267 HydrophobicContact CB-CD1 4.02Å; A209-F267 HydrophobicContact CB-CD2 3.97Å; A209-F267 HydrophobicContact CB-CE1 4.04Å; A209-F267 HydrophobicContact CB-CE2 3.99Å; A209-F267 HydrophobicContact CB-CG 3.98Å; A209-F267 HydrophobicContact CB-CZ 4.02Å; I213-F267 HydrophobicContact CD1-CD2 4.36Å; I213-F267 HydrophobicContact CD1-CE2 3.92Å; L244-F267 HydrophobicContact CD1-CE2 4.41Å; L244-F267 HydrophobicContact CD1-CZ 3.97Å; L244-F267 HydrophobicContact CD2-CE1 4.19Å; L244-F267 HydrophobicContact CD2-CZ 3.79Å; I263-F267 HydrophobicContact CG2-CD2 4.09Å; I263-F267 HydrophobicContact CG2-CE2 4.13Å; I263-F267 WeakPolarHBondContact O-CD2 3.49Å; I263-F267 PolarHBondContact O-N 2.97Å; I263-F267 VanDerWaalsContact O-N 3.11Å; E264-F267 PolarHBondContact O-N 2.63Å; F267-A269 PolarHBondContact O-N 2.76Å; F267-A270 PolarHBondContact O-N 2.85Å; F267-V271 WeakPolarHBondContact O-CG2 3.44Å; F267-V271 PolarHBondContact O-N 2.99Å; F267-F278 HydrophobicContact CB-CD1 3.96Å; F267-F278 HydrophobicContact CB-CD2 3.82Å; F267-F278 HydrophobicContact CB-CE1 3.99Å; F267-F278 HydrophobicContact CB-CE2 3.83Å; F267-F278 HydrophobicContact CB-CG 3.88Å; F267-F278 HydrophobicContact CB-CZ 3.92Å; F267-F278 HydrophobicContact CG-CD2 4.37Å
268S98.5Very high97.9Very high41 Ų4154.9 Ų54.929%0.28729%0.286SS..Hα-helixtrans-59-46.5175.2-650000112E264 E265 V271 Q272 F278E264-S268 WeakPolarHBondContact O-CB 3.35Å; E264-S268 PolarHBondContact O-N 2.72Å; E264-S268 PolarHBondContact O-OG 3.11Å; E265-S268 PolarHBondContact O-N 2.93Å; S268-V271 PolarHBondContact O-N 3.04Å; S268-Q272 WeakPolarHBondContact O-CG 3.48Å; S268-Q272 PolarHBondContact O-N 2.76Å; S268-F278 WeakPolarHBondContact OG-CE1 3.17Å; S268-F278 WeakPolarHBondContact OG-CZ 3.25Å
269A98.4Very high98Very high30 Ų3056 Ų5625%0.24829%0.291CS..Hα-helixtrans-65.6-38.317700000112.3E265 A266 F267 Q272 K273E265-A269 WeakPolarHBondContact O-CB 3.37Å; E265-A269 PolarHBondContact O-N 2.86Å; A266-A269 PolarHBondContact O-N 3.02Å; F267-A269 PolarHBondContact O-N 2.76Å; A269-Q272 PolarHBondContact O-N 2.73Å; A269-K273 PolarHBondContact O-N 3.19Å; A269-K273 VanDerWaalsContact O-N 3.15Å
270A98.4Very high98Very high0 Ų056.8 Ų56.80%029%0.294CS..Hα-helixtrans-65.4-43.817700000112.2I205 E208 A209 A266 F267 Q272 K273 Y274I205-A270 HydrophobicContact CG2-CB 3.81Å; I205-A270 VanDerWaalsContact O-CB 3.31Å; I205-A270 WeakPolarHBondContact O-CB 3.43Å; E208-A270 HydrophobicContact CB-CB 3.8Å; E208-A270 HydrophobicContact CG-CB 3.93Å; A209-A270 HydrophobicContact CB-CB 4.24Å; A266-A270 WeakPolarHBondContact O-CB 3.28Å; A266-A270 PolarHBondContact O-N 2.99Å; F267-A270 PolarHBondContact O-N 2.85Å; A270-Q272 PolarHBondContact O-N 2.91Å; A270-K273 WeakPolarHBondContact O-CB 3.38Å; A270-K273 PolarHBondContact O-N 3.3Å; A270-K273 VanDerWaalsContact O-N 3.16Å; A270-Y274 WeakPolarHBondContact O-CD2 3.48Å; A270-Y274 PolarHBondContact O-N 2.96Å
271V98.2Very high98.1Very high24 Ų2459.6 Ų59.615%0.14531%0.312CS..Hα-helixtrans-64.6-38.4175.2166.90000111.6I205 F267 S268 K273 G275 G276 F278I205-V271 HydrophobicContact CD1-CG2 4.33Å; I205-V271 HydrophobicContact CG2-CG2 3.9Å; F267-V271 WeakPolarHBondContact O-CG2 3.44Å; F267-V271 PolarHBondContact O-N 2.99Å; S268-V271 PolarHBondContact O-N 3.04Å; V271-K273 PolarHBondContact O-N 3.2Å; V271-G275 CarbonylContact O-C 3.57Å; V271-G275 WeakPolarHBondContact O-CA 3.48Å; V271-G275 PolarHBondContact O-N 2.83Å; V271-G276 VanDerWaalsContact CG1-O 3.25Å; V271-G276 WeakPolarHBondContact CG1-O 2.96Å; V271-F278 HydrophobicContact CG2-CB 4.48Å; V271-F278 HydrophobicContact CG2-CD1 3.92Å
272Q97.7Very high98.1Very high169 Ų16958 Ų5879%0.7931%0.311SS*.Hα-helixtrans-61.4-33.5173.6-74.7176.2900112.8S268 A269 A270S268-Q272 WeakPolarHBondContact O-CG 3.48Å; S268-Q272 PolarHBondContact O-N 2.76Å; A269-Q272 PolarHBondContact O-N 2.73Å; A270-Q272 PolarHBondContact O-N 2.91Å
273K97.9Very high98Very high118 Ų11860 Ų6051%0.51332%0.32SS..Hα-helixtrans-76.6-43.4-179.7-177.9178.7178.5-177.20113.2E208 A269 A270 V271E208-K273 HydrophobicContact CG-CD 4.04Å; E208-K273 WeakPolarHBondContact OE1-CD 3.44Å; E208-K273 IonicContact OE1-NZ 3.39Å; E208-K273 PolarHBondContact OE1-NZ 3.07Å; E208-K273 IonicContact OE2-NZ 2.78Å; E208-K273 PolarHBondContact OE2-NZ 2.97Å; A269-K273 PolarHBondContact O-N 3.19Å; A269-K273 VanDerWaalsContact O-N 3.15Å; A270-K273 WeakPolarHBondContact O-CB 3.38Å; A270-K273 PolarHBondContact O-N 3.3Å; A270-K273 VanDerWaalsContact O-N 3.16Å; V271-K273 PolarHBondContact O-N 3.2Å
274Y96.5Very high97.9Very high93 Ų9364.5 Ų64.537%0.36534%0.34SS..Hα-helixtrans-103.5-15-172.7-69.9-80000114.3I200 I205 E208 A270I200-Y274 WeakPolarHBondContact CG2-O 3.47Å; I205-Y274 HydrophobicContact CG1-CD2 4.41Å; I205-Y274 HydrophobicContact CG1-CG 4.4Å; E208-Y274 HydrophobicContact CB-CD2 4.43Å; E208-Y274 HydrophobicContact CB-CE2 3.75Å; E208-Y274 HydrophobicContact CG-CE2 4.04Å; A270-Y274 WeakPolarHBondContact O-CD2 3.48Å; A270-Y274 PolarHBondContact O-N 2.96Å
275G95.8Very high97.4Very high28 Ų2863.7 Ų63.729%0.28934%0.337SS..  trans83.8-169.4-163.600000112.3I205 V271I205-G275 WeakPolarHBondContact CD1-O 3.39Å; V271-G275 CarbonylContact O-C 3.57Å; V271-G275 WeakPolarHBondContact O-CA 3.48Å; V271-G275 PolarHBondContact O-N 2.83Å
276G97Very high97.1Very high37 Ų3760.3 Ų60.338%0.38133%0.327SS..  trans87.6-156.4-177.600000112.9K186 V271K186-G276 CarbonylContact O-C 3.55Å; K186-G276 VanDerWaalsContact O-CA 3.23Å; K186-G276 WeakPolarHBondContact O-CA 3.34Å; V271-G276 VanDerWaalsContact CG1-O 3.25Å; V271-G276 WeakPolarHBondContact CG1-O 2.96Å
277S98.5Very high96.8Very high58 Ų5861.3 Ų61.341%0.40633%0.333SS..EExtended strand (participates in β ladder)trans-154.2161.6176.761.60000110.8K186K186-S277 PolarHBondContact N-O 3.45Å; K186-S277 PolarHBondContact O-N 3.43Å
278F98.5Very high96.7Very high45 Ų4561.9 Ų61.920%0.19734%0.339CS..EExtended strand (participates in β ladder)trans-135.5158.8166.978.7-76.2000110.5I183 Q184 E264 F267 S268 V271 M280I183-F278 HydrophobicContact CG2-CB 4.35Å; I183-F278 HydrophobicContact CG2-CD2 4.13Å; Q184-F278 CarbonylContact O-C 3.52Å; Q184-F278 WeakPolarHBondContact O-CA 3.08Å; E264-F278 HydrophobicContact CG-CE2 4.01Å; E264-F278 HydrophobicContact CG-CZ 3.87Å; F267-F278 HydrophobicContact CB-CD1 3.96Å; F267-F278 HydrophobicContact CB-CD2 3.82Å; F267-F278 HydrophobicContact CB-CE1 3.99Å; F267-F278 HydrophobicContact CB-CE2 3.83Å; F267-F278 HydrophobicContact CB-CG 3.88Å; F267-F278 HydrophobicContact CB-CZ 3.92Å; F267-F278 HydrophobicContact CG-CD2 4.37Å; S268-F278 WeakPolarHBondContact OG-CE1 3.17Å; S268-F278 WeakPolarHBondContact OG-CZ 3.25Å; V271-F278 HydrophobicContact CG2-CB 4.48Å; V271-F278 HydrophobicContact CG2-CD1 3.92Å; F278-M280 HydrophobicContact CD2-CB 4.33Å; F278-M280 HydrophobicContact CE2-CB 4.1Å
279E98.6Very high96.5Very high106 Ų10660.6 Ų60.650%0.49533%0.328SS..EExtended strand (participates in β ladder)trans-129.2132.8169.6-177.7174.2179.900107.8I183 Q184I183-E279 CarbonylContact C-O 3.57Å; I183-E279 VanDerWaalsContact CA-O 3.3Å; I183-E279 WeakPolarHBondContact CA-O 3.35Å; Q184-E279 PolarHBondContact N-O 3.27Å; Q184-E279 PolarHBondContact O-N 2.99Å
280M98.6Very high96.4Very high35 Ų3562.8 Ų62.817%0.17234%0.335CS..EExtended strand (participates in β ladder)trans-120.4125.6178.6-178.3166.6175.500109.2Y181 E182 I183 L260 I263 E264 F278 V282Y181-M280 HydrophobicContact CD2-CE 4.1Å; Y181-M280 HydrophobicContact CG-CE 3.95Å; E182-M280 WeakPolarHBondContact O-CA 3.2Å; I183-M280 HydrophobicContact CD1-CE 4.41Å; I183-M280 HydrophobicContact CD1-CG 4.21Å; I183-M280 HydrophobicContact CD1-SD 3.81Å; I183-M280 HydrophobicContact CG1-CB 3.92Å; I183-M280 HydrophobicContact CG1-CG 3.67Å; I183-M280 HydrophobicContact CG1-SD 3.97Å; L260-M280 HydrophobicContact CB-CE 4.43Å; L260-M280 HydrophobicContact CD2-CE 3.84Å; I263-M280 HydrophobicContact CB-CE 4.37Å; I263-M280 HydrophobicContact CG2-CE 4.01Å; I263-M280 HydrophobicContact CG2-SD 4.17Å; E264-M280 HydrophobicContact CB-SD 3.96Å; E264-M280 HydrophobicContact CG-SD 4.45Å; F278-M280 HydrophobicContact CD2-CB 4.33Å; F278-M280 HydrophobicContact CE2-CB 4.1Å; M280-V282 HydrophobicContact CE-CG2 3.73Å; M280-V282 HydrophobicContact CG-CG2 4.21Å
281T98.7Very high96.4Very high72 Ų7263.3 Ų63.344%0.44234%0.338SS..EExtended strand (participates in β ladder)trans-114.3133.7171.656.10000109Y181 E182Y181-T281 CarbonylContact C-O 3.55Å; Y181-T281 WeakPolarHBondContact CA-O 3.09Å; E182-T281 PolarHBondContact N-O 3.37Å; E182-T281 PolarHBondContact O-N 3.11Å
282V98.4Very high96.2Very high72 Ų7265.4 Ų65.444%0.43635%0.352SS..EExtended strand (participates in β ladder)trans-121.2135.7-180-178.90000109F179 M180 L260 M280F179-V282 HydrophobicContact CB-CG1 4.19Å; F179-V282 HydrophobicContact CD1-CG1 3.95Å; F179-V282 HydrophobicContact CG-CG1 4.47Å; M180-V282 CarbonylContact O-C 3.46Å; M180-V282 WeakPolarHBondContact O-CA 3.44Å; L260-V282 HydrophobicContact CD1-CG1 3.71Å; L260-V282 HydrophobicContact CD2-CG1 4.18Å; L260-V282 HydrophobicContact CD2-CG2 4.15Å; M280-V282 HydrophobicContact CE-CG2 3.73Å; M280-V282 HydrophobicContact CG-CG2 4.21Å
283E97.1Very high96.1Very high121 Ų12161 Ų6157%0.56533%0.334SS*.EExtended strand (participates in β ladder)trans-125.7131.9173.5-170.5175.8-176.700109.5F179 M180 M285F179-E283 CarbonylContact C-O 3.49Å; F179-E283 WeakPolarHBondContact CA-O 3.29Å; M180-E283 PolarHBondContact N-O 3.35Å; M180-E283 PolarHBondContact O-N 2.96Å; E283-M285 HydrophobicContact CB-SD 4.02Å; E283-M285 VanDerWaalsContact CD-SD 3.55Å; E283-M285 HydrophobicContact CG-SD 3.62Å
284K94.6Very high96Very high101 Ų10161.5 Ų61.544%0.43934%0.338SS..EExtended strand (participates in β ladder)trans-83.5117.7171.3-173.3-178.9176.1-170.90108.2T177 F179 T287T177-K284 HydrophobicContact CG2-CD 4.42Å; T177-K284 HydrophobicContact CG2-CG 4.37Å; F179-K284 HydrophobicContact CD1-CB 3.72Å; F179-K284 HydrophobicContact CD1-CG 4.03Å; F179-K284 HydrophobicContact CE1-CB 3.61Å; F179-K284 HydrophobicContact CE1-CD 4.03Å; F179-K284 HydrophobicContact CE1-CG 3.71Å; F179-K284 HydrophobicContact CZ-CD 4.22Å; F179-K284 HydrophobicContact CZ-CG 4.17Å; K284-T287 WeakPolarHBondContact CE-OG1 3.43Å; K284-T287 PolarHBondContact NZ-OG1 3.49Å
285M89.9Confident96Very high81 Ų8157.5 Ų57.540%0.39932%0.324SS..EExtended strand (participates in β ladder)trans-97.6-30.9-174.3-57.4-54.8-52.300113.3L178 M180 E283L178-M285 HydrophobicContact CB-CB 4.44Å; L178-M285 HydrophobicContact CD2-CB 3.83Å; L178-M285 HydrophobicContact CD2-CG 4.42Å; L178-M285 HydrophobicContact CG-CB 3.9Å; L178-M285 HydrophobicContact CG-CG 4.35Å; L178-M285 PolarHBondContact O-N 3.25Å; M180-M285 HydrophobicContact CB-CG 3.94Å; M180-M285 HydrophobicContact CB-SD 4.42Å; M180-M285 HydrophobicContact CE-CE 3.49Å; M180-M285 VanDerWaalsContact CE-CE 3.49Å; M180-M285 HydrophobicContact CE-CG 3.45Å; M180-M285 VanDerWaalsContact CE-CG 3.45Å; M180-M285 HydrophobicContact CE-SD 3.28Å; M180-M285 WeakPolarHBondContact CE-SD 3.41Å; M180-M285 HydrophobicContact CG-CG 3.68Å; M180-M285 HydrophobicContact SD-CG 4.3Å; E283-M285 HydrophobicContact CB-SD 4.02Å; E283-M285 VanDerWaalsContact CD-SD 3.55Å; E283-M285 HydrophobicContact CG-SD 3.62Å
286A90.3Very high95.8Very high33 Ų3360 Ų6027%0.27333%0.334SS..EExtended strand (participates in β ladder)trans-149.6144.5177.700000110.6T177 L178T177-A286 WeakPolarHBondContact CA-O 3.47Å; T177-A286 WeakPolarHBondContact CG2-O 3.42Å; L178-A286 HydrophobicContact CB-CB 4.14Å; L178-A286 PolarHBondContact N-O 2.94Å; L178-A286 PolarHBondContact O-N 2.97Å
287T93.8Very high95.7Very high23 Ų2358.2 Ų58.214%0.14132%0.316CS..  trans-92.7124.2170-62.70000109.4K284 N324 E328K284-T287 WeakPolarHBondContact CE-OG1 3.43Å; K284-T287 PolarHBondContact NZ-OG1 3.49Å; T287-N324 PolarHBondContact O-ND2 3.21Å; T287-E328 WeakPolarHBondContact CB-OE1 3.49Å; T287-E328 HydrophobicContact CG2-CB 4.14Å; T287-E328 HydrophobicContact CG2-CG 4.21Å; T287-E328 VanDerWaalsContact OG1-CD 3.29Å; T287-E328 PolarHBondContact OG1-OE1 2.65Å
288G94.7Very high95.7Very high13 Ų1355.7 Ų55.713%0.13430%0.297CS..  trans-78.5175.6173.600000112.7S175 P176 T177S175-G288 CarbonylContact O-C 3.5Å; S175-G288 WeakPolarHBondContact O-CA 3.41Å; P176-G288 VanDerWaalsContact C-CA 3.44Å; P176-G288 WeakPolarHBondContact O-CA 3.37Å; T177-G288 PolarHBondContact OG1-N 2.76Å
289Y96.1Very high95.5Very high13 Ų1359.4 Ų59.45%0.05131%0.313CS..EExtended strand (participates in β ladder)trans-143.3161.9171.766-91.4000110.6T172 I173 A174 S175 I291 A323 N327T172-Y289 WeakPolarHBondContact CG2-OH 3.33Å; T172-Y289 PolarHBondContact O-OH 3.31Å; I173-Y289 VanDerWaalsContact C-CE2 3.49Å; I173-Y289 WeakPolarHBondContact O-CD2 3.32Å; I173-Y289 WeakPolarHBondContact O-CE2 2.99Å; A174-Y289 CarbonylContact C-O 3.45Å; A174-Y289 WeakPolarHBondContact CA-O 3.42Å; A174-Y289 WeakPolarHBondContact CB-O 3.45Å; S175-Y289 PolarHBondContact N-O 3.09Å; S175-Y289 PolarHBondContact O-N 3.32Å; Y289-I291 HydrophobicContact CD2-CD1 4.3Å; Y289-I291 HydrophobicContact CD2-CG1 3.95Å; Y289-I291 HydrophobicContact CE2-CG1 4.32Å; Y289-A323 HydrophobicContact CE1-CB 3.75Å; Y289-N327 HydrophobicContact CD1-CB 4.42Å; Y289-N327 HydrophobicContact CG-CB 4.15Å
290N96.2Very high95.4Very high76 Ų7655 Ų5541%0.40629%0.292SS..EExtended strand (participates in β ladder)trans-148.7103.2173-173.63000108.9A174 V251A174-N290 HydrophobicContact CB-CB 4.29Å; V251-N290 HydrophobicContact CG1-CB 3.75Å
291I97.1Very high95.3Very high11 Ų1153.3 Ų53.36%0.05628%0.284CS..  trans-85.6120.1-178.8-57.3-49.5000109.6I173 Y289 A295 I297 M298 N327 E332 V333 V334I173-I291 PolarHBondContact O-N 3.38Å; Y289-I291 HydrophobicContact CD2-CD1 4.3Å; Y289-I291 HydrophobicContact CD2-CG1 3.95Å; Y289-I291 HydrophobicContact CE2-CG1 4.32Å; I291-A295 HydrophobicContact CG2-CB 3.62Å; I291-I297 HydrophobicContact CG2-CG2 3.8Å; I291-M298 HydrophobicContact CG2-CG 3.69Å; I291-M298 HydrophobicContact CG2-SD 4.39Å; I291-N327 WeakPolarHBondContact CD1-OD1 3.26Å; I291-E332 HydrophobicContact CD1-CG 4.29Å; I291-V333 WeakPolarHBondContact CG1-O 3.27Å; I291-V334 HydrophobicContact CB-CG1 3.86Å; I291-V334 HydrophobicContact CG1-CG1 3.64Å; I291-V334 HydrophobicContact CG2-CG1 3.99Å
292P95.5Very high95.2Very high69 Ų6952.9 Ų52.945%0.44828%0.279SS..  trans-72152.9178.630.2-34.4000111.6E294 A295P292-E294 PolarHBondContact O-N 2.89Å; P292-E294 VanDerWaalsContact O-N 3.14Å; P292-A295 HydrophobicContact CG-CB 4.24Å; P292-A295 WeakPolarHBondContact O-CB 3.29Å; P292-A295 PolarHBondContact O-N 3.06Å
293D95Very high95.1Very high76 Ų7655.7 Ų55.741%0.40629%0.285SS..THydrogen-bonded Turntrans-58.6-29178.8-73.5-10.3000112.7A295 M298 K314D293-A295 PolarHBondContact O-N 3Å; D293-M298 WeakPolarHBondContact O-CB 3.48Å; D293-K314 VanDerWaalsContact OD1-CD 3.29Å; D293-K314 WeakPolarHBondContact OD1-CD 3.13Å; D293-K314 IonicContact OD1-NZ 3.54Å; D293-K314 PolarHBondContact OD1-NZ 2.76Å; D293-K314 IonicContact OD2-NZ 3.59Å; D293-K314 PolarHBondContact OD2-NZ 3.04Å
294E95.6Very high95.1Very high129 Ų12950 Ų5060%0.60326%0.259SS*.THydrogen-bonded Turntrans-76.1-10.7-179.5-62.374.1-160.800113.8P292 K299P292-E294 PolarHBondContact O-N 2.89Å; P292-E294 VanDerWaalsContact O-N 3.14Å; E294-K299 VanDerWaalsContact O-CE 3.28Å; E294-K299 WeakPolarHBondContact O-CE 3.34Å; E294-K299 PolarHBondContact O-NZ 2.86Å
295A95.6Very high95.2Very high8 Ų845.2 Ų45.27%0.06624%0.238CC..SBendtrans-56.7147.4178.900000111.3I291 P292 D293 I297 M298 K299I291-A295 HydrophobicContact CG2-CB 3.62Å; P292-A295 HydrophobicContact CG-CB 4.24Å; P292-A295 WeakPolarHBondContact O-CB 3.29Å; P292-A295 PolarHBondContact O-N 3.06Å; D293-A295 PolarHBondContact O-N 3Å; A295-I297 HydrophobicContact CB-CG2 3.92Å; A295-I297 PolarHBondContact O-N 2.93Å; A295-M298 HydrophobicContact CB-CB 4.42Å; A295-M298 HydrophobicContact CB-CG 4.23Å; A295-M298 PolarHBondContact O-N 3.34Å; A295-M298 VanDerWaalsContact O-N 3.15Å; A295-K299 PolarHBondContact O-N 2.83Å; A295-K299 VanDerWaalsContact O-N 3.08Å
296V92.5Very high95.4Very high81 Ų8147.1 Ų47.149%0.49125%0.246SC..Hα-helixtrans-63.8-38.2-176.4175.10000110M298 K299 R300 E332V296-M298 VanDerWaalsContact C-N 3.32Å; V296-M298 PolarHBondContact O-N 3.49Å; V296-K299 PolarHBondContact O-N 3.14Å; V296-R300 WeakPolarHBondContact O-CB 3.2Å; V296-R300 PolarHBondContact O-N 2.88Å; V296-E332 PolarHBondContact N-OE1 2.86Å
297I95.4Very high95.7Very high0 Ų050.9 Ų50.90%026%0.256CS..Hα-helixtrans-58.8-41.4175.3-170170.3000112.9G159 Y160 I291 A295 R300 L301 E332 V334G159-I297 WeakPolarHBondContact O-CD1 3.47Å; Y160-I297 HydrophobicContact CD1-CD1 3.9Å; Y160-I297 HydrophobicContact CD1-CG1 4.02Å; Y160-I297 HydrophobicContact CE1-CD1 3.69Å; Y160-I297 HydrophobicContact CE1-CG1 3.27Å; Y160-I297 HydrophobicContact CE2-CG1 4.22Å; Y160-I297 HydrophobicContact CG-CD1 4.45Å; Y160-I297 WeakPolarHBondContact OH-CG1 3.4Å; Y160-I297 PolarHBondContact OH-O 2.96Å; I291-I297 HydrophobicContact CG2-CG2 3.8Å; A295-I297 HydrophobicContact CB-CG2 3.92Å; A295-I297 PolarHBondContact O-N 2.93Å; I297-R300 PolarHBondContact O-N 2.9Å; I297-L301 WeakPolarHBondContact O-CB 3.47Å; I297-L301 PolarHBondContact O-N 2.78Å; I297-E332 HydrophobicContact CB-CG 4.44Å; I297-E332 WeakPolarHBondContact CD1-O 3.46Å; I297-E332 HydrophobicContact CG2-CG 3.76Å; I297-E332 VanDerWaalsContact CG2-OE1 3.25Å; I297-E332 WeakPolarHBondContact CG2-OE1 3.37Å; I297-E332 PolarHBondContact N-OE1 3.44Å; I297-V334 HydrophobicContact CD1-CB 4.48Å; I297-V334 HydrophobicContact CD1-CG1 4.45Å; I297-V334 HydrophobicContact CD1-CG2 3.81Å; I297-V334 HydrophobicContact CG1-CG2 4.24Å
298M97.4Very high95.7Very high4 Ų451.6 Ų51.62%0.0226%0.257CS..Hα-helixtrans-72.4-41.3-178.4-70.5-54.3-66.200111.5V171 I173 I291 D293 A295 V296 R300 L301 D302 L312 K314 V334V171-M298 HydrophobicContact CG1-CE 4.26Å; I173-M298 HydrophobicContact CG2-CE 3.62Å; I173-M298 HydrophobicContact CG2-SD 3.92Å; I291-M298 HydrophobicContact CG2-CG 3.69Å; I291-M298 HydrophobicContact CG2-SD 4.39Å; D293-M298 WeakPolarHBondContact O-CB 3.48Å; A295-M298 HydrophobicContact CB-CB 4.42Å; A295-M298 HydrophobicContact CB-CG 4.23Å; A295-M298 PolarHBondContact O-N 3.34Å; A295-M298 VanDerWaalsContact O-N 3.15Å; V296-M298 VanDerWaalsContact C-N 3.32Å; V296-M298 PolarHBondContact O-N 3.49Å; M298-R300 VanDerWaalsContact C-N 3.33Å; M298-R300 PolarHBondContact O-N 3.12Å; M298-L301 PolarHBondContact O-N 3.14Å; M298-L301 HydrophobicContact SD-CD2 4.37Å; M298-D302 WeakPolarHBondContact O-CB 3.35Å; M298-D302 PolarHBondContact O-N 3.44Å; M298-L312 HydrophobicContact CE-CD2 4.08Å; M298-K314 HydrophobicContact CE-CD 4.21Å; M298-K314 HydrophobicContact CE-CG 4.4Å; M298-V334 HydrophobicContact SD-CG1 3.82Å
299K95.6Very high95.7Very high123 Ų12359.7 Ų59.754%0.53529%0.292SS..Hα-helixtrans-62.7-39.2174.3-71.4174.2176.1149.10112.6E294 A295 V296 K303E294-K299 VanDerWaalsContact O-CE 3.28Å; E294-K299 WeakPolarHBondContact O-CE 3.34Å; E294-K299 PolarHBondContact O-NZ 2.86Å; A295-K299 PolarHBondContact O-N 2.83Å; A295-K299 VanDerWaalsContact O-N 3.08Å; V296-K299 PolarHBondContact O-N 3.14Å; K299-K303 PolarHBondContact O-N 3.17Å
300R95.6Very high95.7Very high13 Ų1360.4 Ų60.45%0.04930%0.296CS..Hα-helixtrans-65.9-43.6175.4-175.1-175.5-61.3154.2-1.2110.8V296 I297 M298 K303 A304 L365 M368 S370V296-R300 WeakPolarHBondContact O-CB 3.2Å; V296-R300 PolarHBondContact O-N 2.88Å; I297-R300 PolarHBondContact O-N 2.9Å; M298-R300 VanDerWaalsContact C-N 3.33Å; M298-R300 PolarHBondContact O-N 3.12Å; R300-K303 PolarHBondContact O-N 3.32Å; R300-A304 WeakPolarHBondContact O-CB 3.26Å; R300-A304 PolarHBondContact O-N 2.8Å; R300-L365 HydrophobicContact CG-CD2 3.97Å; R300-M368 HydrophobicContact CG-CB 4.11Å; R300-S370 PolarHBondContact NH2-O 3.17Å; R300-S370 VanDerWaalsContact NH2-O 3.12Å
301L97.4Very high95.5Very high0 Ų061.2 Ų61.20%031%0.308CS..Hα-helixtrans-61.9-49.4177.4-173.962.2000112Y160 V171 I297 M298 K303 A304 M305 L312 V334 L336 L361 L365Y160-L301 HydrophobicContact CE1-CB 4.09Å; Y160-L301 HydrophobicContact CE1-CD1 4.11Å; Y160-L301 HydrophobicContact CE1-CD2 4.43Å; Y160-L301 HydrophobicContact CE1-CG 4.46Å; V171-L301 HydrophobicContact CB-CD2 3.92Å; V171-L301 HydrophobicContact CG1-CD2 4.02Å; V171-L301 HydrophobicContact CG2-CD2 3.82Å; I297-L301 WeakPolarHBondContact O-CB 3.47Å; I297-L301 PolarHBondContact O-N 2.78Å; M298-L301 PolarHBondContact O-N 3.14Å; M298-L301 HydrophobicContact SD-CD2 4.37Å; L301-K303 VanDerWaalsContact C-N 3.31Å; L301-K303 PolarHBondContact O-N 2.9Å; L301-A304 PolarHBondContact O-N 3.45Å; L301-A304 VanDerWaalsContact O-N 3.12Å; L301-M305 HydrophobicContact CD1-CE 3.78Å; L301-M305 HydrophobicContact CD1-CG 4.38Å; L301-M305 HydrophobicContact CG-CE 4.34Å; L301-M305 HydrophobicContact CG-CG 4.39Å; L301-M305 VanDerWaalsContact O-CG 3.31Å; L301-M305 WeakPolarHBondContact O-CG 3.36Å; L301-M305 PolarHBondContact O-N 3.08Å; L301-L312 HydrophobicContact CD2-CD1 3.74Å; L301-L312 HydrophobicContact CG-CD1 3.95Å; L301-V334 HydrophobicContact CD2-CG2 4.35Å; L301-L336 HydrophobicContact CD1-CD1 4.31Å; L301-L336 HydrophobicContact CD1-CD2 3.84Å; L301-L336 HydrophobicContact CD2-CD2 3.72Å; L301-L336 HydrophobicContact CG-CD2 4.46Å; L301-L361 HydrophobicContact CD1-CD1 4.29Å; L301-L361 HydrophobicContact CD1-CD2 4.48Å; L301-L365 HydrophobicContact CD1-CD1 4.23Å; L301-L365 HydrophobicContact CD1-CD2 4.16Å
302D96.6Very high95.5Very high64 Ų6462.9 Ų62.934%0.34232%0.317SS..Hα-helixtrans-55.4-45.5177.5179.776.8000111.8M298 A304 M305 H306 L312M298-D302 WeakPolarHBondContact O-CB 3.35Å; M298-D302 PolarHBondContact O-N 3.44Å; D302-A304 PolarHBondContact O-N 3.27Å; D302-M305 PolarHBondContact O-N 2.81Å; D302-H306 WeakPolarHBondContact O-CB 3.32Å; D302-H306 PolarHBondContact O-N 2.87Å; D302-H306 PolarHBondContact O-ND1 2.64Å; D302-H306 IonicContact OD1-CE1 3.28Å; D302-H306 PolarHBondContact OD1-CE1 3.24Å; D302-H306 VanDerWaalsContact OD1-CE1 3.28Å; D302-H306 IonicContact OD1-ND1 3.71Å; D302-H306 IonicContact OD2-CE1 3.2Å; D302-H306 PolarHBondContact OD2-CE1 3.46Å; D302-H306 IonicContact OD2-ND1 3.1Å; D302-H306 PolarHBondContact OD2-ND1 3.49Å; D302-H306 VanDerWaalsContact OD2-ND1 3.1Å; D302-L312 HydrophobicContact CB-CD2 4.28Å
303K96.1Very high95.5Very high131 Ų13163 Ų6357%0.5731%0.313SS*.Hα-helixtrans-64.6-40.3177.3-171.4-178.5170.5-173.40112.7K299 R300 L301 K307 M368K299-K303 PolarHBondContact O-N 3.17Å; R300-K303 PolarHBondContact O-N 3.32Å; L301-K303 VanDerWaalsContact C-N 3.31Å; L301-K303 PolarHBondContact O-N 2.9Å; K303-K307 PolarHBondContact O-N 3.21Å; K303-M368 HydrophobicContact CB-SD 3.95Å; K303-M368 HydrophobicContact CD-SD 3.59Å; K303-M368 VanDerWaalsContact CD-SD 3.59Å; K303-M368 HydrophobicContact CG-CE 4.17Å; K303-M368 HydrophobicContact CG-SD 3.57Å; K303-M368 VanDerWaalsContact CG-SD 3.57Å
304A96.8Very high95.6Very high0 Ų064 Ų640%031%0.314CS..Hα-helixtrans-67.5-41.2177.500000111.9R300 L301 D302 K307 Q308 L361 E364 L365 M368R300-A304 WeakPolarHBondContact O-CB 3.26Å; R300-A304 PolarHBondContact O-N 2.8Å; L301-A304 PolarHBondContact O-N 3.45Å; L301-A304 VanDerWaalsContact O-N 3.12Å; D302-A304 PolarHBondContact O-N 3.27Å; A304-K307 PolarHBondContact O-N 2.76Å; A304-Q308 PolarHBondContact O-N 2.86Å; A304-L361 HydrophobicContact CB-CD1 3.85Å; A304-E364 HydrophobicContact CB-CB 3.9Å; A304-L365 HydrophobicContact CB-CD2 3.74Å; A304-L365 HydrophobicContact CB-CG 4.09Å; A304-M368 HydrophobicContact CB-CE 4.45Å; A304-M368 HydrophobicContact CB-SD 4.33Å
305M95.5Very high95.6Very high2 Ų260.2 Ų60.21%0.0130%0.296CS..Hα-helixtrans-62.3-46174.6-69.5-60.2-173.300111.5L301 D302 K307 Q308 E309 L310 L312 L361L301-M305 HydrophobicContact CD1-CE 3.78Å; L301-M305 HydrophobicContact CD1-CG 4.38Å; L301-M305 HydrophobicContact CG-CE 4.34Å; L301-M305 HydrophobicContact CG-CG 4.39Å; L301-M305 VanDerWaalsContact O-CG 3.31Å; L301-M305 WeakPolarHBondContact O-CG 3.36Å; L301-M305 PolarHBondContact O-N 3.08Å; D302-M305 PolarHBondContact O-N 2.81Å; M305-K307 VanDerWaalsContact C-N 3.3Å; M305-K307 PolarHBondContact O-N 3.36Å; M305-Q308 CarbonylContact O-C 3.57Å; M305-Q308 WeakPolarHBondContact O-CA 3.27Å; M305-Q308 PolarHBondContact O-N 3.23Å; M305-E309 PolarHBondContact O-N 3.41Å; M305-E309 VanDerWaalsContact O-N 3.16Å; M305-L310 HydrophobicContact CB-CB 4.25Å; M305-L310 PolarHBondContact O-N 2.73Å; M305-L310 HydrophobicContact SD-CB 3.86Å; M305-L310 HydrophobicContact SD-CD1 3.7Å; M305-L310 HydrophobicContact SD-CG 4.45Å; M305-L312 HydrophobicContact CE-CD1 4.4Å; M305-L312 HydrophobicContact CG-CD1 4.13Å; M305-L361 HydrophobicContact CE-CD1 3.99Å; M305-L361 HydrophobicContact CE-CD2 3.38Å; M305-L361 HydrophobicContact CE-CG 4.34Å; M305-L361 HydrophobicContact CG-CD1 4.47Å; M305-L361 HydrophobicContact SD-CD1 3.81Å; M305-L361 HydrophobicContact SD-CD2 4.07Å
306H95.2Very high95.5Very high121 Ų12163.1 Ų63.156%0.5631%0.31SS*.Hα-helixtrans-59.3-37.3176.9-79.2140.5000113.1D302 Q308 E309D302-H306 WeakPolarHBondContact O-CB 3.32Å; D302-H306 PolarHBondContact O-N 2.87Å; D302-H306 PolarHBondContact O-ND1 2.64Å; D302-H306 IonicContact OD1-CE1 3.28Å; D302-H306 PolarHBondContact OD1-CE1 3.24Å; D302-H306 VanDerWaalsContact OD1-CE1 3.28Å; D302-H306 IonicContact OD1-ND1 3.71Å; D302-H306 IonicContact OD2-CE1 3.2Å; D302-H306 PolarHBondContact OD2-CE1 3.46Å; D302-H306 IonicContact OD2-ND1 3.1Å; D302-H306 PolarHBondContact OD2-ND1 3.49Å; D302-H306 VanDerWaalsContact OD2-ND1 3.1Å; H306-Q308 PolarHBondContact O-N 3.23Å; H306-E309 PolarHBondContact O-N 3.18Å; H306-E309 VanDerWaalsContact O-N 3.15Å
307K95.1Very high95.5Very high112 Ų11261.1 Ų61.149%0.48730%0.3SS..Hα-helixtrans-67-21.8176.9-169170.5168.9-1530112.9K303 A304 M305 E364 E367 M368K303-K307 PolarHBondContact O-N 3.21Å; A304-K307 PolarHBondContact O-N 2.76Å; M305-K307 VanDerWaalsContact C-N 3.3Å; M305-K307 PolarHBondContact O-N 3.36Å; K307-E364 VanDerWaalsContact CD-CD 3.48Å; K307-E364 WeakPolarHBondContact CD-OE1 3.4Å; K307-E364 WeakPolarHBondContact CD-OE2 3.13Å; K307-E364 WeakPolarHBondContact CE-OE1 3.35Å; K307-E364 WeakPolarHBondContact CE-OE2 3.21Å; K307-E364 IonicContact NZ-OE1 2.72Å; K307-E364 PolarHBondContact NZ-OE1 2.85Å; K307-E364 IonicContact NZ-OE2 2.64Å; K307-E364 PolarHBondContact NZ-OE2 2.77Å; K307-E367 IonicContact NZ-OE2 3.24Å; K307-E367 PolarHBondContact NZ-OE2 2.78Å; K307-M368 HydrophobicContact CB-CE 4.26Å; K307-M368 HydrophobicContact CD-CE 3.7Å
308Q94.4Very high95Very high37 Ų3763.5 Ų63.517%0.17332%0.324CS..THydrogen-bonded Turntrans-1007175.4-67.7-164.873.800113.9A304 M305 H306 L310 K357A304-Q308 PolarHBondContact O-N 2.86Å; M305-Q308 CarbonylContact O-C 3.57Å; M305-Q308 WeakPolarHBondContact O-CA 3.27Å; M305-Q308 PolarHBondContact O-N 3.23Å; H306-Q308 PolarHBondContact O-N 3.23Å; Q308-L310 HydrophobicContact CB-CD1 3.9Å; Q308-L310 HydrophobicContact CB-CG 3.87Å; Q308-L310 PolarHBondContact O-N 2.9Å; Q308-K357 PolarHBondContact OE1-O 3.29Å
309E95.6Very high94.4Very high183 Ų18364.8 Ų64.886%0.85534%0.338SS*.THydrogen-bonded Turntrans56.728.5-175.6-54.2179.4-179.300112.8M305 H306M305-E309 PolarHBondContact O-N 3.41Å; M305-E309 VanDerWaalsContact O-N 3.16Å; H306-E309 PolarHBondContact O-N 3.18Å; H306-E309 VanDerWaalsContact O-N 3.15Å
310L94.9Very high94Very high28 Ų2861 Ų6115%0.14733%0.334CS..  trans-91.2144.5175.6-63.2174.4000110.2V168 M305 Q308 K357V168-L310 HydrophobicContact CG1-CD1 3.97Å; M305-L310 HydrophobicContact CB-CB 4.25Å; M305-L310 PolarHBondContact O-N 2.73Å; M305-L310 HydrophobicContact SD-CB 3.86Å; M305-L310 HydrophobicContact SD-CD1 3.7Å; M305-L310 HydrophobicContact SD-CG 4.45Å; Q308-L310 HydrophobicContact CB-CD1 3.9Å; Q308-L310 HydrophobicContact CB-CG 3.87Å; Q308-L310 PolarHBondContact O-N 2.9Å; L310-K357 HydrophobicContact CD2-CD 4.41Å
311S93.2Very high94Very high93 Ų9360.7 Ų60.765%0.6533%0.334SS*.  trans-87.3131.2170.2-63.60000109.7I313S311-I313 PolarHBondContact O-N 3.33Å
312L95.6Very high94Very high47 Ų4760.8 Ų60.825%0.24634%0.335CS..  trans-78.9112.1174.6-17565.9000110.1G169 V171 M298 L301 D302 M305 K314G169-L312 WeakPolarHBondContact O-CA 3.24Å; V171-L312 HydrophobicContact CB-CD1 4.4Å; V171-L312 HydrophobicContact CG1-CD1 3.52Å; V171-L312 HydrophobicContact CG1-CG 4.21Å; M298-L312 HydrophobicContact CE-CD2 4.08Å; L301-L312 HydrophobicContact CD2-CD1 3.74Å; L301-L312 HydrophobicContact CG-CD1 3.95Å; D302-L312 HydrophobicContact CB-CD2 4.28Å; M305-L312 HydrophobicContact CE-CD1 4.4Å; M305-L312 HydrophobicContact CG-CD1 4.13Å; L312-K314 HydrophobicContact CG-CG 4.49Å
313I96.7Very high94.1Very high71 Ų7157.8 Ų57.836%0.36432%0.318SS..EExtended strand (participates in β ladder)trans-106.2115.2177.6-59.2173000108.2G169 R170 V171 S311 E315G169-I313 PolarHBondContact O-N 3.42Å; R170-I313 CarbonylContact C-O 3.54Å; R170-I313 VanDerWaalsContact CA-O 3.27Å; R170-I313 WeakPolarHBondContact CA-O 3.35Å; R170-I313 HydrophobicContact CB-CB 4.49Å; R170-I313 HydrophobicContact CG-CB 4.08Å; R170-I313 HydrophobicContact CG-CD1 4.33Å; R170-I313 HydrophobicContact CG-CG2 4.36Å; V171-I313 PolarHBondContact N-O 3Å; S311-I313 PolarHBondContact O-N 3.33Å; I313-E315 HydrophobicContact CG2-CG 4.35Å
314K96.6Very high94.1Very high97 Ų9751.7 Ų51.742%0.42229%0.292SS..EExtended strand (participates in β ladder)trans-91.3134.8-178.6-61.1-179.7-66.7167.30110.5V171 I173 D293 M298 L312V171-K314 HydrophobicContact CG1-CG 4.19Å; I173-K314 HydrophobicContact CD1-CB 4.09Å; I173-K314 HydrophobicContact CD1-CD 4.2Å; I173-K314 HydrophobicContact CG1-CB 4.26Å; I173-K314 HydrophobicContact CG2-CB 4.3Å; I173-K314 HydrophobicContact CG2-CD 4.47Å; I173-K314 HydrophobicContact CG2-CG 4.19Å; D293-K314 VanDerWaalsContact OD1-CD 3.29Å; D293-K314 WeakPolarHBondContact OD1-CD 3.13Å; D293-K314 IonicContact OD1-NZ 3.54Å; D293-K314 PolarHBondContact OD1-NZ 2.76Å; D293-K314 IonicContact OD2-NZ 3.59Å; D293-K314 PolarHBondContact OD2-NZ 3.04Å; M298-K314 HydrophobicContact CE-CD 4.21Å; M298-K314 HydrophobicContact CE-CG 4.4Å; L312-K314 HydrophobicContact CG-CG 4.49Å
315E95.5Very high94.1Very high50 Ų5052.3 Ų52.323%0.23430%0.295CS..EExtended strand (participates in β ladder)trans-130.7157.5-176-59.2-168.4122.700112.1R170 V171 T172 I173 I313R170-E315 IonicContact CZ-OE1 3.88Å; R170-E315 IonicContact NE-OE1 2.68Å; R170-E315 PolarHBondContact NE-OE1 2.88Å; R170-E315 IonicContact NE-OE2 2.69Å; R170-E315 PolarHBondContact NE-OE2 3.09Å; R170-E315 IonicContact NH2-OE1 3.52Å; R170-E315 PolarHBondContact NH2-OE1 2.87Å; V171-E315 PolarHBondContact O-N 3.24Å; T172-E315 WeakPolarHBondContact CA-O 3.5Å; I173-E315 WeakPolarHBondContact CG1-O 3.31Å; I173-E315 PolarHBondContact N-O 3Å; I313-E315 HydrophobicContact CG2-CG 4.35Å
316I93.9Very high94.2Very high68 Ų6852.2 Ų52.235%0.34930%0.295SS..EExtended strand (participates in β ladder)trans-116.7118.7173.7-55.3-176.9000106.7A174 M221 V251A174-I316 HydrophobicContact CB-CG1 4.24Å; A174-I316 HydrophobicContact CB-CG2 4.18Å; A174-I316 WeakPolarHBondContact O-CA 3.38Å; M221-I316 HydrophobicContact CE-CD1 3.7Å; M221-I316 HydrophobicContact CG-CD1 3.86Å; V251-I316 HydrophobicContact CG2-CG2 3.55Å
317S91.9Very high94.4Very high40 Ų4047.7 Ų47.728%0.2828%0.275SS..  trans-77.2148.7176.5179.90000110.5A174 P176 G319A174-S317 PolarHBondContact O-N 3.22Å; P176-S317 WeakPolarHBondContact CD-O 3.34Å; S317-G319 PolarHBondContact OG-N 3.46Å; S317-G319 PolarHBondContact OG-O 2.88Å
318G85.7Confident94.4Very high49 Ų4947.3 Ų47.351%0.50528%0.275SS..SBendtrans-90.3-11.8165.900000113.7R249R249-G318 PolarHBondContact NH1-O 3.42Å; R249-G318 VanDerWaalsContact NH1-O 3.08Å
319G84Confident94.5Very high32 Ų3249.2 Ų49.233%0.3328%0.282SS..SBendtrans-107.2-178.1-177.800000113S175 S317S175-G319 PolarHBondContact OG-O 2.98Å; S317-G319 PolarHBondContact OG-N 3.46Å; S317-G319 PolarHBondContact OG-O 2.88Å
320G88.4Confident94.5Very high43 Ų4343.4 Ų43.444%0.44327%0.271SS..  trans-101.4159.4169.900000110.8N324G320-N324 WeakPolarHBondContact CA-OD1 3.28Å
321S95.3Very high94.6Very high7 Ų742.7 Ų42.75%0.04927%0.267CS..  trans-145.3175.9164.754.50000107.8E139 L143 A323 N324 N335E139-S321 WeakPolarHBondContact OE1-CA 3.38Å; L143-S321 WeakPolarHBondContact CD1-O 3.46Å; S321-A323 PolarHBondContact O-N 2.84Å; S321-A323 WeakPolarHBondContact OG-CB 3.32Å; S321-N324 PolarHBondContact N-OD1 2.86Å; S321-N324 VanDerWaalsContact O-CB 3.28Å; S321-N324 WeakPolarHBondContact O-CB 3.28Å; S321-N324 PolarHBondContact O-N 3.39Å; S321-N324 PolarHBondContact O-OD1 2.92Å; S321-N335 WeakPolarHBondContact CB-ND2 3.33Å; S321-N335 PolarHBondContact OG-ND2 3.04Å
322D97.4Very high94.8Very high2 Ų241.3 Ų41.31%0.01125%0.25CS..Hα-helixtrans-54.3-24.9173.7-83.8-2.5000113.6S136 A146 N324 I325 F326S136-D322 VanDerWaalsContact CB-OD2 3.26Å; S136-D322 WeakPolarHBondContact CB-OD2 3.48Å; S136-D322 PolarHBondContact OG-OD2 3.38Å; A146-D322 HydrophobicContact CB-CB 4.2Å; A146-D322 VanDerWaalsContact CB-CG 3.44Å; A146-D322 WeakPolarHBondContact CB-OD1 3.38Å; D322-N324 PolarHBondContact O-N 3.15Å; D322-I325 PolarHBondContact O-N 2.97Å; D322-F326 HydrophobicContact CB-CD2 4.17Å; D322-F326 HydrophobicContact CB-CE2 3.7Å; D322-F326 WeakPolarHBondContact O-CD2 3.31Å; D322-F326 PolarHBondContact O-N 2.84Å
323A97.7Very high94.9Very high0 Ų039 Ų390%024%0.239CC..Hα-helixtrans-54.8-34.8172.200000112.5V161 Y289 S321 N327 V333 N335V161-A323 HydrophobicContact CG2-CB 4.04Å; Y289-A323 HydrophobicContact CE1-CB 3.75Å; S321-A323 PolarHBondContact O-N 2.84Å; S321-A323 WeakPolarHBondContact OG-CB 3.32Å; A323-N327 WeakPolarHBondContact O-CB 3.15Å; A323-N327 PolarHBondContact O-N 3.43Å; A323-N327 PolarHBondContact O-ND2 2.94Å; A323-V333 HydrophobicContact CB-CG1 3.9Å; A323-N335 HydrophobicContact CB-CB 4.22Å
324N96.7Very high95Very high3 Ų335.7 Ų35.72%0.01622%0.221CC..Hα-helixtrans-60.2-47.5174.9-70.377.3000111.3L143 S175 T287 G320 S321 D322 N327 E328L143-N324 HydrophobicContact CD1-CB 4.35Å; S175-N324 WeakPolarHBondContact CB-ND2 3.2Å; S175-N324 PolarHBondContact OG-ND2 3.29Å; S175-N324 PolarHBondContact OG-OD1 3.33Å; T287-N324 PolarHBondContact O-ND2 3.21Å; G320-N324 WeakPolarHBondContact CA-OD1 3.28Å; S321-N324 PolarHBondContact N-OD1 2.86Å; S321-N324 VanDerWaalsContact O-CB 3.28Å; S321-N324 WeakPolarHBondContact O-CB 3.28Å; S321-N324 PolarHBondContact O-N 3.39Å; S321-N324 PolarHBondContact O-OD1 2.92Å; D322-N324 PolarHBondContact O-N 3.15Å; N324-N327 PolarHBondContact O-N 3.49Å; N324-E328 VanDerWaalsContact O-CB 3.32Å; N324-E328 WeakPolarHBondContact O-CB 3.4Å; N324-E328 PolarHBondContact O-N 3.2Å
325I97.3Very high95.1Very high13 Ų1331.3 Ų31.37%0.06720%0.203CC..Hα-helixtrans-69.1-41.7-178-53.5-55.6000111.2L143 A146 S147 M151 D322 N327 E328 K329L143-I325 HydrophobicContact CB-CD1 4.21Å; L143-I325 HydrophobicContact CB-CG1 3.89Å; L143-I325 HydrophobicContact CD1-CD1 4Å; L143-I325 HydrophobicContact CD1-CG1 3.92Å; A146-I325 HydrophobicContact CB-CB 4.07Å; A146-I325 HydrophobicContact CB-CG1 4.1Å; A146-I325 HydrophobicContact CB-CG2 4.19Å; A146-I325 VanDerWaalsContact O-CG2 3.26Å; A146-I325 WeakPolarHBondContact O-CG2 3.32Å; S147-I325 WeakPolarHBondContact OG-CD1 3.44Å; M151-I325 HydrophobicContact CE-CG2 4.19Å; D322-I325 PolarHBondContact O-N 2.97Å; I325-N327 PolarHBondContact O-N 2.85Å; I325-E328 PolarHBondContact O-N 3.4Å; I325-K329 HydrophobicContact CG2-CD 4.12Å; I325-K329 HydrophobicContact CG2-CG 4.39Å; I325-K329 WeakPolarHBondContact O-CB 3.42Å; I325-K329 WeakPolarHBondContact O-CG 2.97Å; I325-K329 PolarHBondContact O-N 2.87Å
326F98.3Very high95.3Very high0 Ų029 Ų290%019%0.192CC..Hα-helixtrans-60.6-45.7176.2-67.8-56.5000111.6F72 S74 V134 L149 M151 I154 V161 D322 K329 G330 K331 V333F72-F326 HydrophobicContact CE2-CD1 4.02Å; F72-F326 HydrophobicContact CE2-CD2 4.13Å; F72-F326 AromaticContact CE2-CE1 3.94Å; F72-F326 HydrophobicContact CE2-CE1 3.94Å; F72-F326 HydrophobicContact CE2-CE2 4.03Å; F72-F326 HydrophobicContact CE2-CG 4.16Å; F72-F326 AromaticContact CE2-CZ 3.97Å; F72-F326 HydrophobicContact CE2-CZ 3.97Å; F72-F326 HydrophobicContact CZ-CB 4.35Å; F72-F326 AromaticContact CZ-CD1 3.86Å; F72-F326 HydrophobicContact CZ-CD1 3.86Å; F72-F326 HydrophobicContact CZ-CD2 4.25Å; F72-F326 HydrophobicContact CZ-CE1 4.23Å; F72-F326 AromaticContact CZ-CG 3.91Å; F72-F326 HydrophobicContact CZ-CG 3.91Å; S74-F326 WeakPolarHBondContact OG-CE2 3.37Å; S74-F326 WeakPolarHBondContact OG-CZ 3.41Å; V134-F326 HydrophobicContact CB-CZ 4.44Å; V134-F326 HydrophobicContact CG1-CE1 4.43Å; V134-F326 HydrophobicContact CG1-CZ 4.06Å; L149-F326 HydrophobicContact CD2-CE1 3.81Å; L149-F326 HydrophobicContact CD2-CZ 4.39Å; M151-F326 HydrophobicContact CE-CD1 3.37Å; M151-F326 HydrophobicContact CE-CE1 3.68Å; M151-F326 HydrophobicContact CE-CG 4.38Å; M151-F326 HydrophobicContact SD-CD1 3.86Å; M151-F326 HydrophobicContact SD-CE1 4.17Å; I154-F326 HydrophobicContact CD1-CE1 3.94Å; V161-F326 HydrophobicContact CG2-CD2 3.85Å; V161-F326 HydrophobicContact CG2-CE2 3.89Å; D322-F326 HydrophobicContact CB-CD2 4.17Å; D322-F326 HydrophobicContact CB-CE2 3.7Å; D322-F326 WeakPolarHBondContact O-CD2 3.31Å; D322-F326 PolarHBondContact O-N 2.84Å; F326-K329 CarbonylContact O-C 3.56Å; F326-K329 PolarHBondContact O-N 2.89Å; F326-G330 PolarHBondContact O-N 3.41Å; F326-K331 HydrophobicContact CB-CB 4.06Å; F326-K331 HydrophobicContact CB-CG 4.35Å; F326-K331 HydrophobicContact CD1-CG 4.48Å; F326-K331 VanDerWaalsContact O-CB 3.31Å; F326-K331 WeakPolarHBondContact O-CB 3.37Å; F326-K331 PolarHBondContact O-N 3.46Å; F326-V333 HydrophobicContact CB-CB 4.1Å; F326-V333 HydrophobicContact CB-CG1 4.47Å; F326-V333 HydrophobicContact CB-CG2 3.57Å; F326-V333 HydrophobicContact CD2-CG1 4.33Å; F326-V333 HydrophobicContact CD2-CG2 4.46Å; F326-V333 HydrophobicContact CG-CG2 4.2Å
327N97.4Very high95.5Very high27 Ų2725.8 Ų25.814%0.14418%0.176CC..Hα-helixtrans-65.4-44.6177.8-77.3-64.8000112.8Y289 I291 A323 N324 I325 K329 G330 K331 V333Y289-N327 HydrophobicContact CD1-CB 4.42Å; Y289-N327 HydrophobicContact CG-CB 4.15Å; I291-N327 WeakPolarHBondContact CD1-OD1 3.26Å; A323-N327 WeakPolarHBondContact O-CB 3.15Å; A323-N327 PolarHBondContact O-N 3.43Å; A323-N327 PolarHBondContact O-ND2 2.94Å; N324-N327 PolarHBondContact O-N 3.49Å; I325-N327 PolarHBondContact O-N 2.85Å; N327-K329 VanDerWaalsContact C-N 3.25Å; N327-K329 PolarHBondContact O-N 3.47Å; N327-G330 PolarHBondContact O-N 2.84Å; N327-K331 VanDerWaalsContact CA-O 3.24Å; N327-K331 WeakPolarHBondContact CA-O 3.05Å; N327-K331 PolarHBondContact OD1-O 3.49Å; N327-V333 PolarHBondContact ND2-O 3.04Å; N327-V333 PolarHBondContact OD1-N 3.11Å; N327-V333 VanDerWaalsContact OD1-N 3.09Å
328E95.8Very high95.8Very high103 Ų10324 Ų2448%0.48116%0.163SC..Hα-helixtrans-57.7-40.1174.5177.6169.3-138.500111.9T287 N324 I325 G330T287-E328 WeakPolarHBondContact CB-OE1 3.49Å; T287-E328 HydrophobicContact CG2-CB 4.14Å; T287-E328 HydrophobicContact CG2-CG 4.21Å; T287-E328 VanDerWaalsContact OG1-CD 3.29Å; T287-E328 PolarHBondContact OG1-OE1 2.65Å; N324-E328 VanDerWaalsContact O-CB 3.32Å; N324-E328 WeakPolarHBondContact O-CB 3.4Å; N324-E328 PolarHBondContact O-N 3.2Å; I325-E328 PolarHBondContact O-N 3.4Å; E328-G330 PolarHBondContact O-N 2.91Å
329K96.6Very high96.3Very high77 Ų7721.9 Ų21.934%0.33514%0.141SC..THydrogen-bonded Turntrans-85.916.9177.9-61-172.8-176168.10113.9A146 S147 L149 M151 I325 F326 N327A146-K329 PolarHBondContact O-NZ 2.95Å; S147-K329 PolarHBondContact O-NZ 3.45Å; L149-K329 PolarHBondContact O-NZ 2.82Å; M151-K329 HydrophobicContact CE-CB 4.15Å; M151-K329 HydrophobicContact CE-CD 3.57Å; M151-K329 HydrophobicContact CE-CG 4.33Å; M151-K329 HydrophobicContact CG-CB 3.72Å; M151-K329 HydrophobicContact CG-CD 3.37Å; M151-K329 HydrophobicContact CG-CG 4.2Å; M151-K329 HydrophobicContact SD-CB 4.37Å; M151-K329 HydrophobicContact SD-CD 4.29Å; I325-K329 HydrophobicContact CG2-CD 4.12Å; I325-K329 HydrophobicContact CG2-CG 4.39Å; I325-K329 WeakPolarHBondContact O-CB 3.42Å; I325-K329 WeakPolarHBondContact O-CG 2.97Å; I325-K329 PolarHBondContact O-N 2.87Å; F326-K329 CarbonylContact O-C 3.56Å; F326-K329 PolarHBondContact O-N 2.89Å; N327-K329 VanDerWaalsContact C-N 3.25Å; N327-K329 PolarHBondContact O-N 3.47Å
330G96.2Very high97Very high61 Ų6120.4 Ų20.463%0.62913%0.125SC*.THydrogen-bonded Turntrans81.723.5167.700000115.5F326 N327 E328F326-G330 PolarHBondContact O-N 3.41Å; N327-G330 PolarHBondContact O-N 2.84Å; E328-G330 PolarHBondContact O-N 2.91Å
331K97Very high97.5Very high13 Ų1321.9 Ų21.96%0.05712%0.121CC..  trans-95.2147.7164.7-51-64-170.8168.90109.2F72 M151 I154 A156 K157 F326 N327 V333F72-K331 HydrophobicContact CE1-CB 4.17Å; F72-K331 HydrophobicContact CE1-CD 4.49Å; F72-K331 HydrophobicContact CE1-CG 4.32Å; F72-K331 HydrophobicContact CZ-CB 4.32Å; F72-K331 HydrophobicContact CZ-CG 4.43Å; M151-K331 HydrophobicContact SD-CG 4.37Å; I154-K331 PolarHBondContact O-NZ 2.93Å; A156-K331 WeakPolarHBondContact O-CD 3.12Å; A156-K331 PolarHBondContact O-NZ 3.42Å; K157-K331 CarbonylContact O-C 3.51Å; K157-K331 VanDerWaalsContact O-CA 3.31Å; K157-K331 WeakPolarHBondContact O-CA 3.03Å; F326-K331 HydrophobicContact CB-CB 4.06Å; F326-K331 HydrophobicContact CB-CG 4.35Å; F326-K331 HydrophobicContact CD1-CG 4.48Å; F326-K331 VanDerWaalsContact O-CB 3.31Å; F326-K331 WeakPolarHBondContact O-CB 3.37Å; F326-K331 PolarHBondContact O-N 3.46Å; N327-K331 VanDerWaalsContact CA-O 3.24Å; N327-K331 WeakPolarHBondContact CA-O 3.05Å; N327-K331 PolarHBondContact OD1-O 3.49Å; K331-V333 HydrophobicContact CB-CG2 3.9Å
332E97.4Very high97.6Very high64 Ų6426.2 Ų26.230%0.29914%0.139SC..EExtended strand (participates in β ladder)trans-93.6105.6173.7-173.3-177.889.100109.4K157 S158 G159 I291 V296 I297K157-E332 PolarHBondContact O-N 3.37Å; S158-E332 CarbonylContact C-O 3.52Å; S158-E332 WeakPolarHBondContact CA-O 3.4Å; S158-E332 WeakPolarHBondContact CB-O 3.44Å; G159-E332 PolarHBondContact N-O 2.91Å; G159-E332 VanDerWaalsContact N-O 3.1Å; I291-E332 HydrophobicContact CD1-CG 4.29Å; V296-E332 PolarHBondContact N-OE1 2.86Å; I297-E332 HydrophobicContact CB-CG 4.44Å; I297-E332 WeakPolarHBondContact CD1-O 3.46Å; I297-E332 HydrophobicContact CG2-CG 3.76Å; I297-E332 VanDerWaalsContact CG2-OE1 3.25Å; I297-E332 WeakPolarHBondContact CG2-OE1 3.37Å; I297-E332 PolarHBondContact N-OE1 3.44Å
333V98.2Very high97.4Very high0 Ų029.3 Ų29.30%015%0.154CC..EExtended strand (participates in β ladder)trans-134141.5-170.7178.60000112.2F72 G159 V161 I291 A323 F326 N327 K331F72-V333 HydrophobicContact CE1-CG2 3.88Å; F72-V333 HydrophobicContact CE2-CG2 4.38Å; F72-V333 HydrophobicContact CZ-CG2 3.42Å; F72-V333 VanDerWaalsContact CZ-CG2 3.42Å; G159-V333 WeakPolarHBondContact O-CA 3.37Å; G159-V333 WeakPolarHBondContact O-CG1 3.38Å; V161-V333 HydrophobicContact CB-CG1 4.41Å; V161-V333 HydrophobicContact CG2-CG1 3.57Å; I291-V333 WeakPolarHBondContact CG1-O 3.27Å; A323-V333 HydrophobicContact CB-CG1 3.9Å; F326-V333 HydrophobicContact CB-CB 4.1Å; F326-V333 HydrophobicContact CB-CG1 4.47Å; F326-V333 HydrophobicContact CB-CG2 3.57Å; F326-V333 HydrophobicContact CD2-CG1 4.33Å; F326-V333 HydrophobicContact CD2-CG2 4.46Å; F326-V333 HydrophobicContact CG-CG2 4.2Å; N327-V333 PolarHBondContact ND2-O 3.04Å; N327-V333 PolarHBondContact OD1-N 3.11Å; N327-V333 VanDerWaalsContact OD1-N 3.09Å; K331-V333 HydrophobicContact CB-CG2 3.9Å
334V98.3Very high97.3Very high0 Ų033.3 Ų33.30%017%0.173CC..EExtended strand (participates in β ladder)trans-122.5158.1166-61.10000109.9Y160 V161 V171 I291 I297 M298 L301 L336Y160-V334 HydrophobicContact CD1-CG2 3.67Å; Y160-V334 HydrophobicContact CE1-CG2 3.92Å; V161-V334 PolarHBondContact N-O 3.21Å; V171-V334 HydrophobicContact CG2-CB 3.59Å; V171-V334 HydrophobicContact CG2-CG1 4.27Å; V171-V334 HydrophobicContact CG2-CG2 3.57Å; I291-V334 HydrophobicContact CB-CG1 3.86Å; I291-V334 HydrophobicContact CG1-CG1 3.64Å; I291-V334 HydrophobicContact CG2-CG1 3.99Å; I297-V334 HydrophobicContact CD1-CB 4.48Å; I297-V334 HydrophobicContact CD1-CG1 4.45Å; I297-V334 HydrophobicContact CD1-CG2 3.81Å; I297-V334 HydrophobicContact CG1-CG2 4.24Å; M298-V334 HydrophobicContact SD-CG1 3.82Å; L301-V334 HydrophobicContact CD2-CG2 4.35Å; V334-L336 HydrophobicContact CG2-CD2 4.09Å
335N98.4Very high97.3Very high5 Ų535.9 Ų35.93%0.02719%0.189CC..EExtended strand (participates in β ladder)trans-105.1126.6178.4-171-0.6000110.4V161 D163 V171 T172 S321 A323V161-N335 HydrophobicContact CB-CB 4.23Å; V161-N335 PolarHBondContact O-OD1 3.16Å; D163-N335 WeakPolarHBondContact CA-OD1 3.2Å; D163-N335 PolarHBondContact N-OD1 3.49Å; D163-N335 PolarHBondContact O-ND2 3Å; D163-N335 PolarHBondContact O-OD1 2.87Å; V171-N335 CarbonylContact C-O 3.5Å; V171-N335 WeakPolarHBondContact CA-O 3.41Å; T172-N335 PolarHBondContact N-O 3.15Å; T172-N335 PolarHBondContact O-N 2.93Å; S321-N335 WeakPolarHBondContact CB-ND2 3.33Å; S321-N335 PolarHBondContact OG-ND2 3.04Å; A323-N335 HydrophobicContact CB-CB 4.22Å
336L98.6Very high97.3Very high2 Ų238.2 Ų38.21%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-102136.8-172.3-59.7-174.8000111.3Y160 V161 L162 S164 V171 L301 V334 L361 L365Y160-L336 HydrophobicContact CD1-CD1 3.74Å; Y160-L336 HydrophobicContact CD1-CD2 4.05Å; Y160-L336 HydrophobicContact CD1-CG 4.01Å; Y160-L336 HydrophobicContact CG-CD1 3.94Å; Y160-L336 HydrophobicContact CG-CG 4.47Å; V161-L336 PolarHBondContact O-N 2.88Å; L162-L336 HydrophobicContact CD2-CB 4.14Å; L162-L336 HydrophobicContact CD2-CD1 3.9Å; L162-L336 HydrophobicContact CD2-CG 4.43Å; S164-L336 PolarHBondContact N-O 3.19Å; V171-L336 HydrophobicContact CB-CD2 4.04Å; V171-L336 HydrophobicContact CG2-CD2 3.84Å; L301-L336 HydrophobicContact CD1-CD1 4.31Å; L301-L336 HydrophobicContact CD1-CD2 3.84Å; L301-L336 HydrophobicContact CD2-CD2 3.72Å; L301-L336 HydrophobicContact CG-CD2 4.46Å; V334-L336 HydrophobicContact CG2-CD2 4.09Å; L336-L361 HydrophobicContact CD1-CD2 4.13Å; L336-L365 HydrophobicContact CD1-CD1 3.97Å
337S98.3Very high97.2Very high1 Ų143.9 Ų43.91%0.00723%0.23CC..EExtended strand (participates in β ladder)trans-74.1133.3170.6-59.70000111.8S164 G165 G166 R170S164-S337 CarbonylContact O-C 3.57Å; S164-S337 WeakPolarHBondContact O-CA 3.44Å; G165-S337 VanDerWaalsContact O-CB 3.24Å; G165-S337 WeakPolarHBondContact O-CB 3.42Å; G165-S337 PolarHBondContact O-OG 3Å; G166-S337 WeakPolarHBondContact O-CB 3.47Å; R170-S337 WeakPolarHBondContact CB-OG 3.41Å; R170-S337 PolarHBondContact O-N 3.39Å; R170-S337 VanDerWaalsContact O-N 3.15Å
338I97.9Very high97.3Very high2 Ų242.7 Ų42.71%0.0122%0.224CC..  trans-121.28.5-174.160.2158.5000114.7A109 I113 L162 S164 Y340 A358A109-I338 HydrophobicContact CB-CD1 3.75Å; I113-I338 HydrophobicContact CD1-CB 3.92Å; I113-I338 HydrophobicContact CD1-CD1 3.98Å; I113-I338 HydrophobicContact CD1-CG2 4.26Å; L162-I338 HydrophobicContact CB-CG2 3.94Å; L162-I338 HydrophobicContact CD2-CG2 4.16Å; L162-I338 WeakPolarHBondContact O-CD1 3.35Å; S164-I338 PolarHBondContact O-N 2.67Å; I338-Y340 HydrophobicContact CD1-CD1 3.87Å; I338-Y340 HydrophobicContact CD1-CE1 3.77Å; I338-Y340 HydrophobicContact CG1-CD1 3.7Å; I338-Y340 HydrophobicContact CG1-CE1 3.64Å; I338-A358 HydrophobicContact CB-CB 4.31Å; I338-A358 HydrophobicContact CG2-CB 4.23Å
339G97.9Very high97.4Very high4 Ų441.4 Ų41.44%0.04122%0.215CC..SBendtrans102.8-3.1165.200000116.9G166G166-G339 WeakPolarHBondContact O-CA 3.49Å; G166-G339 PolarHBondContact O-N 3.45Å
340Y98.3Very high97.5Very high1 Ų137.8 Ų37.80%0.00420%0.199CC..EExtended strand (participates in β ladder)trans-75.6150172.360.2-113.4000110.8A105 D106 A109 D163 S164 G165 G166 I338 I343 Y349A105-Y340 HydrophobicContact CB-CD1 4.28Å; A105-Y340 HydrophobicContact CB-CG 4.19Å; D106-Y340 HydrophobicContact CB-CE1 4.13Å; D106-Y340 HydrophobicContact CB-CE2 4.12Å; D106-Y340 PolarHBondContact OD1-OH 2.78Å; A109-Y340 HydrophobicContact CB-CD1 4.47Å; D163-Y340 PolarHBondContact OD1-OH 3.04Å; S164-Y340 VanDerWaalsContact C-CZ 3.43Å; S164-Y340 WeakPolarHBondContact CA-OH 3.05Å; S164-Y340 PolarHBondContact N-OH 3.2Å; S164-Y340 VanDerWaalsContact N-OH 3.09Å; G165-Y340 CarbonylContact C-O 3.49Å; G165-Y340 WeakPolarHBondContact CA-O 3.48Å; G166-Y340 PolarHBondContact N-O 3.06Å; I338-Y340 HydrophobicContact CD1-CD1 3.87Å; I338-Y340 HydrophobicContact CD1-CE1 3.77Å; I338-Y340 HydrophobicContact CG1-CD1 3.7Å; I338-Y340 HydrophobicContact CG1-CE1 3.64Å; Y340-I343 HydrophobicContact CD2-CB 4.36Å; Y340-I343 HydrophobicContact CD2-CD1 4.37Å; Y340-I343 HydrophobicContact CD2-CG1 4.25Å; Y340-I343 HydrophobicContact CE2-CB 4.22Å; Y340-I343 HydrophobicContact CE2-CD1 3.46Å; Y340-I343 VanDerWaalsContact CE2-CD1 3.46Å; Y340-I343 HydrophobicContact CE2-CG1 3.81Å; Y340-Y349 CarbonylContact C-O 3.56Å; Y340-Y349 VanDerWaalsContact CA-O 3.32Å; Y340-Y349 WeakPolarHBondContact CA-O 3.33Å
341E98.2Very high97.6Very high74 Ų7435.8 Ų35.835%0.34618%0.177SC..EExtended strand (participates in β ladder)trans-136.9154.3-173.4-74.6-75.3-173.300109.8I343 E348 Y349E341-I343 VanDerWaalsContact C-N 3.27Å; E341-I343 PolarHBondContact O-N 3.42Å; E341-E348 VanDerWaalsContact O-CA 3.32Å; E341-E348 WeakPolarHBondContact O-CA 3.35Å; E341-Y349 HydrophobicContact CB-CD1 4.01Å; E341-Y349 HydrophobicContact CB-CD2 4.34Å; E341-Y349 HydrophobicContact CB-CE1 3.44Å; E341-Y349 VanDerWaalsContact CB-CE1 3.44Å; E341-Y349 HydrophobicContact CB-CE2 3.84Å; E341-Y349 HydrophobicContact CB-CG 4.43Å; E341-Y349 HydrophobicContact CG-CE1 4.41Å; E341-Y349 HydrophobicContact CG-CE2 4.1Å; E341-Y349 PolarHBondContact N-O 3.02Å; E341-Y349 PolarHBondContact O-N 3.32Å; E341-Y349 VanDerWaalsContact O-N 3.13Å
342K97.1Very high97.7Very high99 Ų9935.7 Ų35.743%0.4318%0.178SC..SBendtrans53.942.7-176.1-56.3-178.2178.9-178.40113.4T345 E347 Y349K342-T345 PolarHBondContact O-N 2.96Å; K342-T345 PolarHBondContact O-OG1 2.91Å; K342-E347 HydrophobicContact CB-CB 4.42Å; K342-E347 HydrophobicContact CD-CB 3.58Å; K342-E347 WeakPolarHBondContact CD-O 3.34Å; K342-E347 IonicContact NZ-OE2 3.65Å; K342-E347 PolarHBondContact NZ-OE2 2.86Å; K342-Y349 HydrophobicContact CD-CD1 4.34Å; K342-Y349 HydrophobicContact CD-CE1 4.04Å; K342-Y349 HydrophobicContact CG-CE1 4.07Å
343I94.3Very high97.7Very high66 Ų6635.1 Ų35.134%0.33818%0.184SC..THydrogen-bonded Turntrans-44.3145176.3-159.5-179.3000112.4D106 Y340 E341 T345D106-I343 HydrophobicContact CB-CD1 3.89Å; D106-I343 HydrophobicContact CB-CG1 3.69Å; D106-I343 WeakPolarHBondContact OD2-CD1 3.31Å; D106-I343 WeakPolarHBondContact OD2-CG1 3.41Å; Y340-I343 HydrophobicContact CD2-CB 4.36Å; Y340-I343 HydrophobicContact CD2-CD1 4.37Å; Y340-I343 HydrophobicContact CD2-CG1 4.25Å; Y340-I343 HydrophobicContact CE2-CB 4.22Å; Y340-I343 HydrophobicContact CE2-CD1 3.46Å; Y340-I343 VanDerWaalsContact CE2-CD1 3.46Å; Y340-I343 HydrophobicContact CE2-CG1 3.81Å; E341-I343 VanDerWaalsContact C-N 3.27Å; E341-I343 PolarHBondContact O-N 3.42Å; I343-T345 WeakPolarHBondContact O-CG2 3.2Å; I343-T345 PolarHBondContact O-N 3.15Å
344H94.4Very high97.7Very high85 Ų8536.2 Ų36.239%0.39419%0.189SC..THydrogen-bonded Turntrans59.324.2178.9-54.2166.5000115.3V80 D106 E140V80-H344 HydrophobicContact CG2-CB 4.04Å; D106-H344 IonicContact OD2-CD2 3.15Å; D106-H344 PolarHBondContact OD2-CD2 3.01Å; D106-H344 IonicContact OD2-CE1 2.73Å; D106-H344 IonicContact OD2-NE2 3.94Å; D106-H344 PolarHBondContact OD2-NE2 3.5Å; E140-H344 IonicContact OE1-CD2 2.65Å; E140-H344 IonicContact OE1-CE1 2.86Å; E140-H344 IonicContact OE1-NE2 3.55Å; E140-H344 PolarHBondContact OE1-NE2 3.16Å; E140-H344 IonicContact OE2-CE1 2.9Å; E140-H344 PolarHBondContact OE2-CE1 3.25Å; E140-H344 IonicContact OE2-NE2 3.61Å; E140-H344 PolarHBondContact OE2-NE2 2.85Å
345T97.2Very high97.8Very high57 Ų5736.2 Ų36.235%0.3519%0.189SC..SBendtrans-129160.6175.577.90000111.7K342 I343 E347 E348K342-T345 PolarHBondContact O-N 2.96Å; K342-T345 PolarHBondContact O-OG1 2.91Å; I343-T345 WeakPolarHBondContact O-CG2 3.2Å; I343-T345 PolarHBondContact O-N 3.15Å; T345-E347 PolarHBondContact O-N 3.46Å; T345-E347 PolarHBondContact OG1-N 3.24Å; T345-E347 VanDerWaalsContact OG1-N 3.15Å; T345-E348 VanDerWaalsContact O-CB 3.24Å; T345-E348 WeakPolarHBondContact O-CB 3.47Å; T345-E348 PolarHBondContact O-N 2.89Å; T345-E348 VanDerWaalsContact O-N 3.12Å; T345-E348 PolarHBondContact OG1-N 2.97Å
346T97.4Very high97.8Very high61 Ų6138.2 Ų38.237%0.37420%0.198SC..THydrogen-bonded Turntrans-71.6-1.7171.159.60000113.2P82 G99 T101P82-T346 HydrophobicContact CG-CG2 4.18Å; G99-T346 WeakPolarHBondContact O-CB 3.38Å; T101-T346 WeakPolarHBondContact O-CA 3.46Å
347E97.3Very high97.7Very high119 Ų11941.3 Ų41.356%0.55621%0.211SC*.THydrogen-bonded Turntrans-98.15.4171.7-59.4-173.8-164.300112.4K342 T345 Y349K342-E347 HydrophobicContact CB-CB 4.42Å; K342-E347 HydrophobicContact CD-CB 3.58Å; K342-E347 WeakPolarHBondContact CD-O 3.34Å; K342-E347 IonicContact NZ-OE2 3.65Å; K342-E347 PolarHBondContact NZ-OE2 2.86Å; T345-E347 PolarHBondContact O-N 3.46Å; T345-E347 PolarHBondContact OG1-N 3.24Å; T345-E347 VanDerWaalsContact OG1-N 3.15Å; E347-Y349 WeakPolarHBondContact O-CD1 3.36Å
348E98.1Very high97.8Very high2 Ų241.4 Ų41.41%0.00921%0.212CC..  trans-57135.8178.1-174.1-171.7-159.800111.6L103 G104 A105 D106 E341 T345L103-E348 WeakPolarHBondContact CA-OE2 3.47Å; L103-E348 HydrophobicContact CB-CB 4.09Å; L103-E348 HydrophobicContact CB-CG 4Å; L103-E348 WeakPolarHBondContact CB-OE2 3.37Å; L103-E348 PolarHBondContact N-OE2 2.88Å; G104-E348 PolarHBondContact N-OE2 2.81Å; A105-E348 HydrophobicContact CB-CG 4.41Å; A105-E348 WeakPolarHBondContact CB-OE1 3.3Å; A105-E348 PolarHBondContact N-OE1 2.9Å; A105-E348 PolarHBondContact N-OE2 2.87Å; D106-E348 PolarHBondContact N-OE1 3.39Å; E341-E348 VanDerWaalsContact O-CA 3.32Å; E341-E348 WeakPolarHBondContact O-CA 3.35Å; T345-E348 VanDerWaalsContact O-CB 3.24Å; T345-E348 WeakPolarHBondContact O-CB 3.47Å; T345-E348 PolarHBondContact O-N 2.89Å; T345-E348 VanDerWaalsContact O-N 3.12Å; T345-E348 PolarHBondContact OG1-N 2.97Å
349Y98.4Very high97.8Very high77 Ų7741.3 Ų41.330%0.30221%0.212SC..EExtended strand (participates in β ladder)trans-147.8160.1177.568.9-84000111.8I94 L95 Y340 E341 K342 E347I94-Y349 HydrophobicContact CG2-CD2 3.66Å; I94-Y349 HydrophobicContact CG2-CG 4.13Å; L95-Y349 CarbonylContact O-C 3.59Å; L95-Y349 WeakPolarHBondContact O-CA 2.92Å; L95-Y349 WeakPolarHBondContact O-CB 3.5Å; Y340-Y349 CarbonylContact C-O 3.56Å; Y340-Y349 VanDerWaalsContact CA-O 3.32Å; Y340-Y349 WeakPolarHBondContact CA-O 3.33Å; E341-Y349 HydrophobicContact CB-CD1 4.01Å; E341-Y349 HydrophobicContact CB-CD2 4.34Å; E341-Y349 HydrophobicContact CB-CE1 3.44Å; E341-Y349 VanDerWaalsContact CB-CE1 3.44Å; E341-Y349 HydrophobicContact CB-CE2 3.84Å; E341-Y349 HydrophobicContact CB-CG 4.43Å; E341-Y349 HydrophobicContact CG-CE1 4.41Å; E341-Y349 HydrophobicContact CG-CE2 4.1Å; E341-Y349 PolarHBondContact N-O 3.02Å; E341-Y349 PolarHBondContact O-N 3.32Å; E341-Y349 VanDerWaalsContact O-N 3.13Å; K342-Y349 HydrophobicContact CD-CD1 4.34Å; K342-Y349 HydrophobicContact CD-CE1 4.04Å; K342-Y349 HydrophobicContact CG-CE1 4.07Å; E347-Y349 WeakPolarHBondContact O-CD1 3.36Å
350I98.7Very high97.8Very high0 Ų045.7 Ų45.70%023%0.229CC..EExtended strand (participates in β ladder)trans-138.5138171.9-171.7166.4000110.4F10 L95 L103 A105 A109 M355F10-I350 HydrophobicContact CE1-CG2 4.03Å; F10-I350 HydrophobicContact CZ-CG2 3.93Å; L95-I350 HydrophobicContact CB-CG2 4.02Å; L95-I350 HydrophobicContact CD1-CG2 4.36Å; L95-I350 PolarHBondContact N-O 3.04Å; L95-I350 PolarHBondContact O-N 3.16Å; L103-I350 HydrophobicContact CD2-CG2 3.92Å; A105-I350 HydrophobicContact CB-CB 4.32Å; A105-I350 HydrophobicContact CB-CG2 4.32Å; A109-I350 HydrophobicContact CB-CD1 3.52Å; I350-M355 HydrophobicContact CD1-CG 3.42Å; I350-M355 VanDerWaalsContact CD1-CG 3.42Å; I350-M355 HydrophobicContact CD1-SD 4.1Å; I350-M355 HydrophobicContact CG1-CG 3.78Å; I350-M355 HydrophobicContact CG1-SD 4.29Å; I350-M355 HydrophobicContact CG2-SD 4.08Å
351A98.6Very high97.8Very high19 Ų1945.9 Ų45.916%0.15723%0.231CC..EExtended strand (participates in β ladder)trans-83.2131.4173.700000110.6I94 A353 E354 M355I94-A351 HydrophobicContact CD1-CB 3.48Å; I94-A351 VanDerWaalsContact CD1-CB 3.48Å; A351-A353 PolarHBondContact O-N 3.29Å; A351-E354 HydrophobicContact CB-CB 4.37Å; A351-E354 HydrophobicContact CB-CG 4.03Å; A351-E354 WeakPolarHBondContact O-CB 3.23Å; A351-E354 PolarHBondContact O-N 2.85Å; A351-M355 PolarHBondContact O-N 3.41Å
352V98.7Very high97.8Very high12 Ų1242.5 Ų42.57%0.07322%0.215CC..Hα-helixtrans-56.3-37.6175.4175.60000110.8T3 V7 G93 L95 E354 M355 E356T3-V352 HydrophobicContact CG2-CG1 3.51Å; V7-V352 HydrophobicContact CG2-CB 4.4Å; V7-V352 HydrophobicContact CG2-CG1 3.71Å; V7-V352 HydrophobicContact CG2-CG2 3.74Å; G93-V352 WeakPolarHBondContact O-CB 3.41Å; G93-V352 WeakPolarHBondContact O-CG2 3.31Å; G93-V352 PolarHBondContact O-N 3.47Å; L95-V352 HydrophobicContact CD1-CG2 3.93Å; L95-V352 HydrophobicContact CG-CG2 4.03Å; V352-E354 VanDerWaalsContact C-N 3.28Å; V352-E354 PolarHBondContact O-N 3.18Å; V352-M355 WeakPolarHBondContact O-CB 3.38Å; V352-M355 PolarHBondContact O-N 2.99Å; V352-E356 WeakPolarHBondContact O-CG 3.49Å; V352-E356 PolarHBondContact O-N 2.88Å
353A98.2Very high97.9Very high52 Ų5238.5 Ų38.543%0.4320%0.198SC..Hα-helixtrans-62.1-32.9176.800000113.2A351 K357A351-A353 PolarHBondContact O-N 3.29Å; A353-K357 WeakPolarHBondContact O-CG 3.49Å; A353-K357 PolarHBondContact O-N 2.88Å
354E98.3Very high98Very high22 Ų2236.8 Ų36.810%0.10319%0.189CC..Hα-helixtrans-73.4-41.2174.9-67.1-57.5116.300111E167 V168 A351 V352 E356 K357 A358E167-E354 WeakPolarHBondContact CA-OE2 3.18Å; V168-E354 HydrophobicContact CG2-CB 4.33Å; V168-E354 WeakPolarHBondContact CG2-O 3.31Å; V168-E354 PolarHBondContact N-OE2 3.32Å; A351-E354 HydrophobicContact CB-CB 4.37Å; A351-E354 HydrophobicContact CB-CG 4.03Å; A351-E354 WeakPolarHBondContact O-CB 3.23Å; A351-E354 PolarHBondContact O-N 2.85Å; V352-E354 VanDerWaalsContact C-N 3.28Å; V352-E354 PolarHBondContact O-N 3.18Å; E354-E356 VanDerWaalsContact C-N 3.26Å; E354-E356 PolarHBondContact O-N 2.8Å; E354-K357 WeakPolarHBondContact O-CB 3.19Å; E354-K357 PolarHBondContact O-N 2.82Å; E354-K357 VanDerWaalsContact O-N 3.07Å; E354-K357 WeakPolarHBondContact OE1-CE 3.36Å; E354-K357 IonicContact OE1-NZ 2.87Å; E354-K357 PolarHBondContact OE1-NZ 3.07Å; E354-K357 IonicContact OE2-NZ 3.7Å; E354-A358 PolarHBondContact O-N 2.81Å
355M98.8Very high98.2Very high0 Ų032.7 Ų32.70%017%0.17CC..Hα-helixtrans-57.9-40.9173.5-57.9172.371.700111.6L6 F10 L95 A112 I113 I350 A351 V352 K357 A358 V359L6-M355 HydrophobicContact CD1-CE 3.98Å; L6-M355 HydrophobicContact CD2-CB 3.81Å; L6-M355 HydrophobicContact CG-CB 4.45Å; L6-M355 HydrophobicContact CG-CE 4.03Å; F10-M355 HydrophobicContact CB-CE 3.65Å; F10-M355 HydrophobicContact CD1-CE 4.31Å; F10-M355 HydrophobicContact CD2-CE 4.02Å; F10-M355 HydrophobicContact CG-CE 3.72Å; L95-M355 HydrophobicContact CD1-SD 4.06Å; A112-M355 HydrophobicContact CB-CE 4.4Å; I113-M355 HydrophobicContact CG1-CB 4.49Å; I350-M355 HydrophobicContact CD1-CG 3.42Å; I350-M355 VanDerWaalsContact CD1-CG 3.42Å; I350-M355 HydrophobicContact CD1-SD 4.1Å; I350-M355 HydrophobicContact CG1-CG 3.78Å; I350-M355 HydrophobicContact CG1-SD 4.29Å; I350-M355 HydrophobicContact CG2-SD 4.08Å; A351-M355 PolarHBondContact O-N 3.41Å; V352-M355 WeakPolarHBondContact O-CB 3.38Å; V352-M355 PolarHBondContact O-N 2.99Å; M355-K357 PolarHBondContact O-N 2.79Å; M355-A358 PolarHBondContact O-N 3.01Å; M355-V359 WeakPolarHBondContact O-CG2 3.36Å; M355-V359 PolarHBondContact O-N 3.3Å
356E98.5Very high98.2Very high48 Ų4830 Ų3022%0.22415%0.153CC..Hα-helixtrans-61.9-40.1175.1-70.9-176.3146.600113M1 T3 V352 E354 K360M1-E356 HydrophobicContact CE-CB 3.78Å; M1-E356 HydrophobicContact CE-CG 3.55Å; M1-E356 HydrophobicContact SD-CB 4.16Å; M1-E356 HydrophobicContact SD-CG 4.24Å; T3-E356 WeakPolarHBondContact CB-OE1 3.25Å; T3-E356 HydrophobicContact CG2-CG 4.08Å; T3-E356 WeakPolarHBondContact CG2-OE1 3.23Å; T3-E356 PolarHBondContact OG1-OE1 3.33Å; V352-E356 WeakPolarHBondContact O-CG 3.49Å; V352-E356 PolarHBondContact O-N 2.88Å; E354-E356 VanDerWaalsContact C-N 3.26Å; E354-E356 PolarHBondContact O-N 2.8Å; E356-K360 VanDerWaalsContact O-CG 3.31Å; E356-K360 WeakPolarHBondContact O-CG 3.25Å; E356-K360 PolarHBondContact O-N 2.99Å
357K98.3Very high98.1Very high67 Ų6730.6 Ų30.629%0.29115%0.152SC..Hα-helixtrans-65.8-42.5174.6-69.9171.4-176.5174.70111V168 Q308 L310 A353 E354 M355 K360 L361V168-K357 HydrophobicContact CB-CB 3.9Å; V168-K357 HydrophobicContact CB-CD 4.33Å; V168-K357 HydrophobicContact CG1-CB 3.93Å; V168-K357 HydrophobicContact CG2-CB 4.02Å; Q308-K357 PolarHBondContact OE1-O 3.29Å; L310-K357 HydrophobicContact CD2-CD 4.41Å; A353-K357 WeakPolarHBondContact O-CG 3.49Å; A353-K357 PolarHBondContact O-N 2.88Å; E354-K357 WeakPolarHBondContact O-CB 3.19Å; E354-K357 PolarHBondContact O-N 2.82Å; E354-K357 VanDerWaalsContact O-N 3.07Å; E354-K357 WeakPolarHBondContact OE1-CE 3.36Å; E354-K357 IonicContact OE1-NZ 2.87Å; E354-K357 PolarHBondContact OE1-NZ 3.07Å; E354-K357 IonicContact OE2-NZ 3.7Å; M355-K357 PolarHBondContact O-N 2.79Å; K357-K360 PolarHBondContact O-N 3.44Å; K357-L361 WeakPolarHBondContact O-CB 3.37Å; K357-L361 PolarHBondContact O-N 3.4Å
358A98.6Very high97.9Very high3 Ų326 Ų263%0.02513%0.13CC..Hα-helixtrans-64.4-42.8179.400000111.8I113 V168 I338 E354 M355 K360 L361 V362I113-A358 HydrophobicContact CD1-CB 3.49Å; I113-A358 VanDerWaalsContact CD1-CB 3.49Å; I113-A358 HydrophobicContact CG1-CB 4.04Å; I113-A358 HydrophobicContact CG2-CB 4.03Å; V168-A358 HydrophobicContact CG2-CB 3.89Å; I338-A358 HydrophobicContact CB-CB 4.31Å; I338-A358 HydrophobicContact CG2-CB 4.23Å; E354-A358 PolarHBondContact O-N 2.81Å; M355-A358 PolarHBondContact O-N 3.01Å; A358-K360 PolarHBondContact O-N 3.33Å; A358-L361 WeakPolarHBondContact O-CB 3.17Å; A358-L361 PolarHBondContact O-N 3.34Å; A358-L361 VanDerWaalsContact O-N 3.12Å; A358-V362 WeakPolarHBondContact O-CG2 3.36Å; A358-V362 PolarHBondContact O-N 3.24Å
359V98.7Very high97.1Very high0 Ų025.9 Ų25.90%013%0.13CC..Hα-helixtrans-57.4-49173.41690000111.2M1 L6 I113 E116 A117 M355 L361 V362 I363M1-V359 HydrophobicContact CG-CG1 3.97Å; M1-V359 HydrophobicContact SD-CB 3.96Å; M1-V359 HydrophobicContact SD-CG1 3.79Å; L6-V359 HydrophobicContact CD1-CG2 4.02Å; L6-V359 HydrophobicContact CD2-CG2 3.89Å; I113-V359 HydrophobicContact CB-CG2 4.14Å; I113-V359 HydrophobicContact CG1-CG2 4.13Å; I113-V359 HydrophobicContact CG2-CG2 3.92Å; E116-V359 HydrophobicContact CB-CG1 4.42Å; E116-V359 HydrophobicContact CB-CG2 3.97Å; E116-V359 HydrophobicContact CG-CG1 3.88Å; E116-V359 HydrophobicContact CG-CG2 3.98Å; A117-V359 HydrophobicContact CB-CG1 4.44Å; M355-V359 WeakPolarHBondContact O-CG2 3.36Å; M355-V359 PolarHBondContact O-N 3.3Å; V359-L361 VanDerWaalsContact C-N 3.27Å; V359-L361 PolarHBondContact O-N 2.89Å; V359-V362 PolarHBondContact O-N 2.98Å; V359-I363 HydrophobicContact CG1-CD1 3.79Å; V359-I363 VanDerWaalsContact O-CG1 3.29Å; V359-I363 WeakPolarHBondContact O-CG1 3.43Å; V359-I363 PolarHBondContact O-N 2.86Å
360K98.3Very high95.9Very high95 Ų9527.3 Ų27.341%0.41315%0.151SC..Hα-helixtrans-59.4-40.9176.8-70.7167.7-171.4166.30111E356 K357 A358 I363 E364E356-K360 VanDerWaalsContact O-CG 3.31Å; E356-K360 WeakPolarHBondContact O-CG 3.25Å; E356-K360 PolarHBondContact O-N 2.99Å; K357-K360 PolarHBondContact O-N 3.44Å; A358-K360 PolarHBondContact O-N 3.33Å; K360-I363 PolarHBondContact O-N 2.82Å; K360-E364 WeakPolarHBondContact O-CB 3.38Å; K360-E364 VanDerWaalsContact O-CG 3.26Å; K360-E364 WeakPolarHBondContact O-CG 3.28Å; K360-E364 PolarHBondContact O-N 3.07Å
361L98.4Very high95.8Very high5 Ų528.7 Ų28.73%0.02616%0.159CC..Hα-helixtrans-62.6-46.9178.5-177.161.3000112V168 L301 A304 M305 L336 K357 A358 V359 I363 E364 L365V168-L361 HydrophobicContact CG1-CD2 3.97Å; L301-L361 HydrophobicContact CD1-CD1 4.29Å; L301-L361 HydrophobicContact CD1-CD2 4.48Å; A304-L361 HydrophobicContact CB-CD1 3.85Å; M305-L361 HydrophobicContact CE-CD1 3.99Å; M305-L361 HydrophobicContact CE-CD2 3.38Å; M305-L361 HydrophobicContact CE-CG 4.34Å; M305-L361 HydrophobicContact CG-CD1 4.47Å; M305-L361 HydrophobicContact SD-CD1 3.81Å; M305-L361 HydrophobicContact SD-CD2 4.07Å; L336-L361 HydrophobicContact CD1-CD2 4.13Å; K357-L361 WeakPolarHBondContact O-CB 3.37Å; K357-L361 PolarHBondContact O-N 3.4Å; A358-L361 WeakPolarHBondContact O-CB 3.17Å; A358-L361 PolarHBondContact O-N 3.34Å; A358-L361 VanDerWaalsContact O-N 3.12Å; V359-L361 VanDerWaalsContact C-N 3.27Å; V359-L361 PolarHBondContact O-N 2.89Å; L361-I363 VanDerWaalsContact C-N 3.32Å; L361-I363 PolarHBondContact O-N 2.72Å; L361-E364 PolarHBondContact O-N 3.18Å; L361-L365 HydrophobicContact CD1-CD1 4.2Å; L361-L365 HydrophobicContact CD1-CG 4.24Å; L361-L365 HydrophobicContact CG-CD1 3.93Å; L361-L365 HydrophobicContact CG-CG 4.41Å; L361-L365 WeakPolarHBondContact O-CB 3.42Å; L361-L365 VanDerWaalsContact O-CG 3.23Å; L361-L365 WeakPolarHBondContact O-CG 3.34Å; L361-L365 PolarHBondContact O-N 2.83Å
362V98.5Very high95.6Very high4 Ų429.2 Ų29.22%0.02416%0.159CC..Hα-helixtrans-59.3-44.1176.5171.70000111.1F73 I113 A117 L162 A358 V359 E364 L365 A366F73-V362 HydrophobicContact CD1-CG1 4.25Å; F73-V362 HydrophobicContact CD1-CG2 4.3Å; F73-V362 HydrophobicContact CE1-CB 4.28Å; F73-V362 HydrophobicContact CE1-CG1 3.9Å; F73-V362 HydrophobicContact CE1-CG2 4.08Å; F73-V362 HydrophobicContact CE2-CG1 4.17Å; F73-V362 HydrophobicContact CZ-CG1 3.85Å; I113-V362 HydrophobicContact CG2-CG2 3.87Å; A117-V362 HydrophobicContact CB-CB 4.07Å; A117-V362 HydrophobicContact CB-CG1 3.59Å; L162-V362 HydrophobicContact CD1-CG2 3.77Å; L162-V362 HydrophobicContact CD2-CG2 4.15Å; A358-V362 WeakPolarHBondContact O-CG2 3.36Å; A358-V362 PolarHBondContact O-N 3.24Å; V359-V362 PolarHBondContact O-N 2.98Å; V362-E364 PolarHBondContact O-N 3.42Å; V362-L365 PolarHBondContact O-N 3.05Å; V362-A366 VanDerWaalsContact O-CB 3.29Å; V362-A366 WeakPolarHBondContact O-CB 3.47Å; V362-A366 PolarHBondContact O-N 3.11Å
363I98.1Very high95.5Very high15 Ų1530.1 Ų30.18%0.07716%0.164CC..Hα-helixtrans-61.7-45.3177.3-66.3166.3000111A117 T120 I121 I126 V359 K360 L361 A366 E367A117-I363 HydrophobicContact CB-CG1 3.88Å; T120-I363 HydrophobicContact CG2-CD1 3.56Å; I121-I363 HydrophobicContact CD1-CG1 4.41Å; I121-I363 HydrophobicContact CG1-CG1 4.23Å; I121-I363 HydrophobicContact CG1-CG2 4.34Å; I126-I363 HydrophobicContact CD1-CG2 3.52Å; V359-I363 HydrophobicContact CG1-CD1 3.79Å; V359-I363 VanDerWaalsContact O-CG1 3.29Å; V359-I363 WeakPolarHBondContact O-CG1 3.43Å; V359-I363 PolarHBondContact O-N 2.86Å; K360-I363 PolarHBondContact O-N 2.82Å; L361-I363 VanDerWaalsContact C-N 3.32Å; L361-I363 PolarHBondContact O-N 2.72Å; I363-A366 PolarHBondContact O-N 3.12Å; I363-E367 WeakPolarHBondContact O-CB 3.32Å; I363-E367 PolarHBondContact O-N 2.98Å
364E97.5Very high95.3Very high29 Ų2928.8 Ų28.814%0.13615%0.148CC..Hα-helixtrans-63.2-43.7178.3-71.8-60.2167.700112.1A304 K307 K360 L361 V362 A366 E367 M368A304-E364 HydrophobicContact CB-CB 3.9Å; K307-E364 VanDerWaalsContact CD-CD 3.48Å; K307-E364 WeakPolarHBondContact CD-OE1 3.4Å; K307-E364 WeakPolarHBondContact CD-OE2 3.13Å; K307-E364 WeakPolarHBondContact CE-OE1 3.35Å; K307-E364 WeakPolarHBondContact CE-OE2 3.21Å; K307-E364 IonicContact NZ-OE1 2.72Å; K307-E364 PolarHBondContact NZ-OE1 2.85Å; K307-E364 IonicContact NZ-OE2 2.64Å; K307-E364 PolarHBondContact NZ-OE2 2.77Å; K360-E364 WeakPolarHBondContact O-CB 3.38Å; K360-E364 VanDerWaalsContact O-CG 3.26Å; K360-E364 WeakPolarHBondContact O-CG 3.28Å; K360-E364 PolarHBondContact O-N 3.07Å; L361-E364 PolarHBondContact O-N 3.18Å; V362-E364 PolarHBondContact O-N 3.42Å; E364-A366 VanDerWaalsContact C-N 3.35Å; E364-A366 PolarHBondContact O-N 3.35Å; E364-E367 PolarHBondContact O-N 3.15Å; E364-M368 HydrophobicContact CB-CE 4.4Å; E364-M368 WeakPolarHBondContact O-CB 3.24Å; E364-M368 WeakPolarHBondContact O-CG 2.97Å; E364-M368 PolarHBondContact O-N 3.08Å; E364-M368 WeakPolarHBondContact OE2-CE 3.14Å
365L97.7Very high95.1Very high0 Ų029.3 Ų29.30%015%0.151CC..Hα-helixtrans-62.3-42.7176.3-70.9171.6000111.7L71 F73 Y160 R300 L301 A304 L336 L361 V362 M368 A369L71-L365 HydrophobicContact CD2-CB 4.28Å; L71-L365 WeakPolarHBondContact CD2-O 2.93Å; F73-L365 HydrophobicContact CE1-CB 4.25Å; F73-L365 HydrophobicContact CE1-CD1 4.13Å; F73-L365 HydrophobicContact CZ-CB 3.92Å; Y160-L365 HydrophobicContact CD1-CD1 4.26Å; Y160-L365 HydrophobicContact CD2-CD1 3.8Å; Y160-L365 HydrophobicContact CE1-CD1 4.25Å; Y160-L365 HydrophobicContact CE1-CD2 4.25Å; Y160-L365 HydrophobicContact CE2-CB 4.13Å; Y160-L365 HydrophobicContact CE2-CD1 3.8Å; Y160-L365 HydrophobicContact CE2-CD2 3.73Å; Y160-L365 HydrophobicContact CE2-CG 4.1Å; Y160-L365 HydrophobicContact CG-CD1 4.04Å; Y160-L365 WeakPolarHBondContact OH-CD2 3.46Å; R300-L365 HydrophobicContact CG-CD2 3.97Å; L301-L365 HydrophobicContact CD1-CD1 4.23Å; L301-L365 HydrophobicContact CD1-CD2 4.16Å; A304-L365 HydrophobicContact CB-CD2 3.74Å; A304-L365 HydrophobicContact CB-CG 4.09Å; L336-L365 HydrophobicContact CD1-CD1 3.97Å; L361-L365 HydrophobicContact CD1-CD1 4.2Å; L361-L365 HydrophobicContact CD1-CG 4.24Å; L361-L365 HydrophobicContact CG-CD1 3.93Å; L361-L365 HydrophobicContact CG-CG 4.41Å; L361-L365 WeakPolarHBondContact O-CB 3.42Å; L361-L365 VanDerWaalsContact O-CG 3.23Å; L361-L365 WeakPolarHBondContact O-CG 3.34Å; L361-L365 PolarHBondContact O-N 2.83Å; V362-L365 PolarHBondContact O-N 3.05Å; L365-M368 PolarHBondContact O-N 2.9Å; L365-A369 PolarHBondContact O-N 2.8Å; L365-A369 VanDerWaalsContact O-N 3.16Å
366A96.8Very high94.9Very high0 Ų031.2 Ų31.20%016%0.161CC..Hα-helixtrans-64.8-39.7175.700000112.7F73 I121 T128 L131 V362 I363 E364F73-A366 HydrophobicContact CE2-CB 4.49Å; I121-A366 HydrophobicContact CD1-CB 4.04Å; T128-A366 HydrophobicContact CG2-CB 4.2Å; L131-A366 HydrophobicContact CD1-CB 3.63Å; L131-A366 HydrophobicContact CD2-CB 3.82Å; L131-A366 HydrophobicContact CG-CB 4.39Å; V362-A366 VanDerWaalsContact O-CB 3.29Å; V362-A366 WeakPolarHBondContact O-CB 3.47Å; V362-A366 PolarHBondContact O-N 3.11Å; I363-A366 PolarHBondContact O-N 3.12Å; E364-A366 VanDerWaalsContact C-N 3.35Å; E364-A366 PolarHBondContact O-N 3.35Å
367E95.2Very high94.6Very high74 Ų7430 Ų3035%0.34616%0.156SC..Hα-helixtrans-68.9-37.2175.6-173.4178.1-152.100111.4K68 I126 K307 I363 E364K68-E367 PolarHBondContact NZ-O 3.09Å; I126-E367 HydrophobicContact CG2-CB 4.21Å; I126-E367 HydrophobicContact CG2-CG 4.21Å; K307-E367 IonicContact NZ-OE2 3.24Å; K307-E367 PolarHBondContact NZ-OE2 2.78Å; I363-E367 WeakPolarHBondContact O-CB 3.32Å; I363-E367 PolarHBondContact O-N 2.98Å; E364-E367 PolarHBondContact O-N 3.15Å
368M92.7Very high94.3Very high21 Ų2127.2 Ų27.210%0.10315%0.146CC..Hα-helixtrans-86.7-2-175.7-66.5-171.1-159.900115R300 K303 A304 K307 E364 L365 S370R300-M368 HydrophobicContact CG-CB 4.11Å; K303-M368 HydrophobicContact CB-SD 3.95Å; K303-M368 HydrophobicContact CD-SD 3.59Å; K303-M368 VanDerWaalsContact CD-SD 3.59Å; K303-M368 HydrophobicContact CG-CE 4.17Å; K303-M368 HydrophobicContact CG-SD 3.57Å; K303-M368 VanDerWaalsContact CG-SD 3.57Å; A304-M368 HydrophobicContact CB-CE 4.45Å; A304-M368 HydrophobicContact CB-SD 4.33Å; K307-M368 HydrophobicContact CB-CE 4.26Å; K307-M368 HydrophobicContact CD-CE 3.7Å; E364-M368 HydrophobicContact CB-CE 4.4Å; E364-M368 WeakPolarHBondContact O-CB 3.24Å; E364-M368 WeakPolarHBondContact O-CG 2.97Å; E364-M368 PolarHBondContact O-N 3.08Å; E364-M368 WeakPolarHBondContact OE2-CE 3.14Å; L365-M368 PolarHBondContact O-N 2.9Å; M368-S370 PolarHBondContact O-N 3.24Å; M368-S370 PolarHBondContact O-OG 2.6Å
369A81.6Confident94Very high0 Ų029.2 Ų29.20%016%0.156CC..  trans-52.5111.5174.200000109.6K68 L71 L365K68-A369 WeakPolarHBondContact CB-O 3.41Å; K68-A369 WeakPolarHBondContact CD-O 3.46Å; K68-A369 WeakPolarHBondContact CG-O 3.42Å; L71-A369 HydrophobicContact CB-CB 4.15Å; L71-A369 HydrophobicContact CD2-CB 4.45Å; L365-A369 PolarHBondContact O-N 2.8Å; L365-A369 VanDerWaalsContact O-N 3.16Å
370S74Confident93.5Very high107 Ų10731.8 Ų31.875%0.74817%0.17SC*.  trans-147.20-178.442.10000109.6R300 M368R300-S370 PolarHBondContact NH2-O 3.17Å; R300-S370 VanDerWaalsContact NH2-O 3.12Å; M368-S370 PolarHBondContact O-N 3.24Å; M368-S370 PolarHBondContact O-OG 2.6Å

Retrieved 370 of 370 residues in 432.1 ms (Link to these results)

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