A0A3B3VKS6_9TELE Loading...

Glyceraldehyde-3-phosphate dehydrogenase

AlphaFold DB , UniProt , Accession A0A3B3VKS6, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 334 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M85.9Confident97.3Very high130 Ų13027.5 Ų27.564%0.6414%0.143SC*.  0137.70-164.7173.4-63.400106.9G24 V26 E27M1-G24 WeakPolarHBondContact CE-O 3.13Å; M1-V26 VanDerWaalsContact SD-C 3.58Å; M1-E27 HydrophobicContact CG-CB 4.17Å; M1-E27 HydrophobicContact SD-CB 3.85Å
2V96.3Very high97.4Very high0 Ų028.1 Ų28.10%015%0.145CC..EExtended strand (participates in β ladder)trans-69.6132.9177.957.30000109.9I4 V26 E27 D92 Y93 V327 F331V2-I4 HydrophobicContact CG1-CG2 4.43Å; V2-I4 HydrophobicContact CG2-CG2 4.37Å; V2-V26 HydrophobicContact CG1-CB 3.93Å; V2-V26 HydrophobicContact CG1-CG1 3.5Å; V2-V26 VanDerWaalsContact CG1-CG1 3.5Å; V2-E27 PolarHBondContact O-N 3.49Å; V2-D92 HydrophobicContact CG2-CB 4.34Å; V2-Y93 HydrophobicContact CG2-CD2 3.5Å; V2-Y93 VanDerWaalsContact CG2-CD2 3.5Å; V2-Y93 HydrophobicContact CG2-CE2 3.94Å; V2-Y93 HydrophobicContact CG2-CG 4.06Å; V2-V327 HydrophobicContact CG1-CG1 3.77Å; V2-V327 HydrophobicContact CG2-CG1 4.05Å; V2-F331 HydrophobicContact CB-CB 3.93Å; V2-F331 HydrophobicContact CB-CD1 3.9Å; V2-F331 HydrophobicContact CB-CD2 3.79Å; V2-F331 HydrophobicContact CB-CE1 4.35Å; V2-F331 HydrophobicContact CB-CE2 4.25Å; V2-F331 HydrophobicContact CB-CG 3.59Å; V2-F331 HydrophobicContact CG1-CB 4.29Å; V2-F331 HydrophobicContact CG1-CG 4.37Å; V2-F331 HydrophobicContact CG2-CB 4.1Å; V2-F331 HydrophobicContact CG2-CD2 3.8Å; V2-F331 HydrophobicContact CG2-CE2 4.42Å; V2-F331 HydrophobicContact CG2-CG 3.97Å
3K98.4Very high97.5Very high75 Ų7525.9 Ų25.933%0.32613%0.134SC..EExtended strand (participates in β ladder)trans-91.4125.1178.5-70-178.5176.8-175.40110.3E27 V29 A90 D92 Y93K3-E27 CarbonylContact C-O 3.57Å; K3-E27 WeakPolarHBondContact CA-O 3.18Å; K3-V29 HydrophobicContact CB-CG1 4.13Å; K3-V29 HydrophobicContact CB-CG2 3.95Å; K3-V29 HydrophobicContact CD-CG1 4.08Å; K3-V29 HydrophobicContact CG-CG1 3.91Å; K3-A90 VanDerWaalsContact CB-O 3.29Å; K3-A90 WeakPolarHBondContact CB-O 3.45Å; K3-A90 HydrophobicContact CD-CB 4.17Å; K3-A90 VanDerWaalsContact CD-O 3.27Å; K3-A90 WeakPolarHBondContact CD-O 3.36Å; K3-D92 PolarHBondContact O-N 2.89Å; K3-Y93 PolarHBondContact O-N 2.72Å; K3-Y93 VanDerWaalsContact O-N 3.16Å
4I98.8Very high97.6Very high1 Ų125.4 Ų25.41%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-117.5145.9-175.874.8167.8000112.3V2 I6 V16 V26 E27 V28 V29 Y93 V95 V327V2-I4 HydrophobicContact CG1-CG2 4.43Å; V2-I4 HydrophobicContact CG2-CG2 4.37Å; I4-I6 HydrophobicContact CD1-CD1 3.91Å; I4-I6 HydrophobicContact CG1-CD1 4.48Å; I4-V16 HydrophobicContact CD1-CG1 4.2Å; I4-V26 HydrophobicContact CD1-CB 4.32Å; I4-V26 HydrophobicContact CD1-CG2 3.64Å; I4-V26 HydrophobicContact CG1-CG2 4.32Å; I4-V26 HydrophobicContact CG2-CB 4.11Å; I4-E27 PolarHBondContact N-O 3.22Å; I4-V28 HydrophobicContact CD1-CG2 3.8Å; I4-V28 HydrophobicContact CG1-CB 4.32Å; I4-V28 HydrophobicContact CG1-CG2 3.74Å; I4-V28 WeakPolarHBondContact O-CA 3.42Å; I4-V29 PolarHBondContact O-N 3.48Å; I4-Y93 CarbonylContact C-O 3.57Å; I4-Y93 WeakPolarHBondContact CA-O 3.46Å; I4-V95 HydrophobicContact CD1-CG2 4.21Å; I4-V327 HydrophobicContact CG2-CG1 3.75Å
5G98.8Very high97.7Very high0 Ų023.7 Ų23.70%012%0.121CC..EExtended strand (participates in β ladder)trans-107.4144.5166.600000110.3A30 Y93 V94 V95G5-A30 CarbonylContact C-O 3.5Å; G5-A30 VanDerWaalsContact CA-O 3.26Å; G5-A30 WeakPolarHBondContact CA-O 3.38Å; G5-Y93 PolarHBondContact N-O 3.37Å; G5-V94 CarbonylContact O-C 3.57Å; G5-V94 WeakPolarHBondContact O-CA 3.43Å; G5-V95 PolarHBondContact O-N 2.85Å
6I98.9Very high97.8Very high0 Ų022.2 Ų22.20%011%0.113CC..EExtended strand (participates in β ladder)trans-109.2123174.9-53.1-59.2000109.2I4 V16 V28 A30 I31 N32 V95I4-I6 HydrophobicContact CD1-CD1 3.91Å; I4-I6 HydrophobicContact CG1-CD1 4.48Å; I6-V16 HydrophobicContact CD1-CB 4.4Å; I6-V16 HydrophobicContact CD1-CG1 3.76Å; I6-V28 HydrophobicContact CG1-CG1 4.05Å; I6-V28 HydrophobicContact CG1-CG2 4.46Å; I6-A30 PolarHBondContact N-O 3.06Å; I6-I31 HydrophobicContact CB-CG1 4.14Å; I6-I31 HydrophobicContact CG1-CG1 4.36Å; I6-I31 CarbonylContact O-C 3.5Å; I6-I31 WeakPolarHBondContact O-CA 3.32Å; I6-N32 PolarHBondContact O-N 3.22Å; I6-V95 HydrophobicContact CD1-CB 3.74Å; I6-V95 HydrophobicContact CD1-CG1 4.37Å; I6-V95 HydrophobicContact CD1-CG2 3.93Å
7N98.9Very high97.8Very high3 Ų320.9 Ų20.92%0.01611%0.107CC..EExtended strand (participates in β ladder)trans-101.5119.5168-166.634.7000110.1N32 W86 V94 V95 E96 S97 T98 H110N7-N32 PolarHBondContact OD1-ND2 2.84Å; N7-W86 HydrophobicContact CB-CZ2 4.21Å; N7-V94 HydrophobicContact CB-CG1 4.33Å; N7-V95 PolarHBondContact N-O 2.9Å; N7-E96 PolarHBondContact ND2-OE2 2.81Å; N7-S97 CarbonylContact O-C 3.57Å; N7-S97 WeakPolarHBondContact O-CA 3.43Å; N7-S97 PolarHBondContact O-N 3.23Å; N7-S97 PolarHBondContact O-OG 2.9Å; N7-T98 HydrophobicContact CB-CG2 4.41Å; N7-T98 WeakPolarHBondContact ND2-CG2 3.25Å; N7-T98 PolarHBondContact O-N 2.85Å; N7-H110 PolarHBondContact ND2-CE1 2.98Å; N7-H110 PolarHBondContact ND2-NE2 2.82Å
8G98.6Very high97.9Very high6 Ų620.3 Ų20.36%0.06210%0.103CC..  trans84.9105.6-172.500000112.2G10 N32 S97G8-G10 VanDerWaalsContact C-N 3.28Å; G8-G10 PolarHBondContact O-N 3.16Å; G8-N32 PolarHBondContact N-O 3.46Å; G8-S97 PolarHBondContact O-OG 2.9Å
9F98.8Very high97.9Very high0 Ų019.5 Ų19.50%010%0.099CC..  trans-96.942.5-176-158.6-126.9000112.2R14 I31 D33 I36 M41 F45 L66F9-R14 HydrophobicContact CD1-CG 3.78Å; F9-R14 HydrophobicContact CD2-CG 3.8Å; F9-R14 HydrophobicContact CE1-CG 3.69Å; F9-R14 HydrophobicContact CE2-CB 4.31Å; F9-R14 HydrophobicContact CE2-CG 3.69Å; F9-R14 HydrophobicContact CG-CG 3.85Å; F9-R14 HydrophobicContact CZ-CB 4.48Å; F9-R14 HydrophobicContact CZ-CG 3.66Å; F9-R14 WeakPolarHBondContact O-CG 3.44Å; F9-R14 PolarHBondContact O-NH1 3.39Å; F9-I31 HydrophobicContact CB-CG2 3.79Å; F9-I31 HydrophobicContact CD1-CG2 4.46Å; F9-I31 HydrophobicContact CD2-CD1 3.89Å; F9-I31 HydrophobicContact CD2-CG1 4.26Å; F9-I31 HydrophobicContact CD2-CG2 3.73Å; F9-I31 HydrophobicContact CE2-CD1 3.43Å; F9-I31 VanDerWaalsContact CE2-CD1 3.43Å; F9-I31 HydrophobicContact CE2-CG1 4.22Å; F9-I31 HydrophobicContact CE2-CG2 4.39Å; F9-I31 HydrophobicContact CG-CG2 3.77Å; F9-I31 HydrophobicContact CZ-CD1 3.77Å; F9-D33 HydrophobicContact CB-CB 3.98Å; F9-D33 PolarHBondContact N-OD2 2.9Å; F9-I36 HydrophobicContact CB-CD1 4.22Å; F9-M41 HydrophobicContact CD1-CB 4.21Å; F9-M41 HydrophobicContact CD1-CG 3.85Å; F9-M41 HydrophobicContact CD1-SD 4.19Å; F9-M41 HydrophobicContact CE1-CB 3.96Å; F9-M41 HydrophobicContact CE1-CG 4.11Å; F9-M41 HydrophobicContact CE1-SD 4.47Å; F9-F45 HydrophobicContact CE1-CB 4.29Å; F9-F45 HydrophobicContact CZ-CB 4.23Å; F9-F45 AromaticContact CZ-CD2 3.85Å; F9-F45 HydrophobicContact CZ-CD2 3.85Å; F9-F45 HydrophobicContact CZ-CG 4.42Å; F9-L66 HydrophobicContact CE1-CD2 4.47Å; F9-L66 HydrophobicContact CZ-CD2 4.23Å
10G98.4Very high97.9Very high29 Ų2918.6 Ų18.630%0.29910%0.095SC..SBendtrans-79.1-155.3174.600000113.3G8 I12 R14G8-G10 VanDerWaalsContact C-N 3.28Å; G8-G10 PolarHBondContact O-N 3.16Å; G10-I12 PolarHBondContact O-N 3.14Å; G10-R14 WeakPolarHBondContact O-CB 3.5Å; G10-R14 WeakPolarHBondContact O-CG 3.25Å; G10-R14 PolarHBondContact O-N 3.31Å; G10-R14 PolarHBondContact O-NH1 3.35Å
11R98.7Very high97.8Very high59 Ų5919.2 Ų19.222%0.22310%0.103CC..Hα-helixtrans-53.2-55.4178.7-63.4-58-61.2158.88.3111.9L15 D48 T50 H51 E316R11-L15 WeakPolarHBondContact O-CB 3.39Å; R11-L15 WeakPolarHBondContact O-CD1 3.44Å; R11-L15 VanDerWaalsContact O-CG 3.23Å; R11-L15 WeakPolarHBondContact O-CG 3.35Å; R11-L15 PolarHBondContact O-N 2.98Å; R11-L15 VanDerWaalsContact O-N 3.11Å; R11-D48 IonicContact CZ-OD1 3.56Å; R11-D48 IonicContact CZ-OD2 3.45Å; R11-D48 VanDerWaalsContact NH1-CG 3.3Å; R11-D48 IonicContact NH1-OD1 3.53Å; R11-D48 PolarHBondContact NH1-OD1 3.41Å; R11-D48 IonicContact NH1-OD2 3.45Å; R11-D48 PolarHBondContact NH1-OD2 2.96Å; R11-D48 IonicContact NH2-OD1 2.72Å; R11-D48 PolarHBondContact NH2-OD1 3.28Å; R11-D48 IonicContact NH2-OD2 2.69Å; R11-D48 PolarHBondContact NH2-OD2 3.48Å; R11-T50 PolarHBondContact NH2-OG1 2.86Å; R11-H51 PolarHBondContact NH2-CD2 3.47Å; R11-E316 WeakPolarHBondContact CG-OE1 3.24Å; R11-E316 IonicContact CZ-OE1 3.28Å; R11-E316 IonicContact CZ-OE2 2.9Å; R11-E316 IonicContact NE-OE1 3.12Å; R11-E316 PolarHBondContact NE-OE1 2.68Å; R11-E316 IonicContact NE-OE2 3.31Å; R11-E316 PolarHBondContact NE-OE2 2.88Å; R11-E316 IonicContact NH2-OE1 2.65Å; R11-E316 IonicContact NH2-OE2 2.85Å; R11-E316 PolarHBondContact NH2-OE2 3.29Å
12I98.8Very high98.3Very high34 Ų3417.2 Ų17.217%0.1749%0.094CC..Hα-helixtrans-67.9-48.3-178-58.2-54.2000111.4G10 R14 L15 V16 Y319G10-I12 PolarHBondContact O-N 3.14Å; I12-R14 VanDerWaalsContact C-N 3.33Å; I12-R14 PolarHBondContact O-N 3.41Å; I12-L15 PolarHBondContact O-N 3.33Å; I12-L15 VanDerWaalsContact O-N 3.12Å; I12-V16 HydrophobicContact CG2-CG2 3.92Å; I12-V16 WeakPolarHBondContact O-CB 3.31Å; I12-V16 VanDerWaalsContact O-CG2 3.31Å; I12-V16 WeakPolarHBondContact O-CG2 3.29Å; I12-V16 PolarHBondContact O-N 3.08Å; I12-Y319 HydrophobicContact CD1-CD1 4.09Å; I12-Y319 HydrophobicContact CG2-CD1 4.36Å; I12-Y319 HydrophobicContact CG2-CE1 4.37Å
13G98.8Very high98.1Very high0 Ų019.4 Ų19.40%012%0.116CC..Hα-helixtrans-56.7-43.2179.900000113.6T17G13-T17 PolarHBondContact O-N 2.87Å; G13-T17 VanDerWaalsContact O-N 3.14Å; G13-T17 PolarHBondContact O-OG1 3.09Å
14R98.8Very high97.7Very high18 Ų1817.7 Ų17.77%0.06812%0.12CC..Hα-helixtrans-66.6-40.6175.3-68.5-165-55-87.56.7112.6F9 G10 I12 T17 R18 M44F9-R14 HydrophobicContact CD1-CG 3.78Å; F9-R14 HydrophobicContact CD2-CG 3.8Å; F9-R14 HydrophobicContact CE1-CG 3.69Å; F9-R14 HydrophobicContact CE2-CB 4.31Å; F9-R14 HydrophobicContact CE2-CG 3.69Å; F9-R14 HydrophobicContact CG-CG 3.85Å; F9-R14 HydrophobicContact CZ-CB 4.48Å; F9-R14 HydrophobicContact CZ-CG 3.66Å; F9-R14 WeakPolarHBondContact O-CG 3.44Å; F9-R14 PolarHBondContact O-NH1 3.39Å; G10-R14 WeakPolarHBondContact O-CB 3.5Å; G10-R14 WeakPolarHBondContact O-CG 3.25Å; G10-R14 PolarHBondContact O-N 3.31Å; G10-R14 PolarHBondContact O-NH1 3.35Å; I12-R14 VanDerWaalsContact C-N 3.33Å; I12-R14 PolarHBondContact O-N 3.41Å; R14-T17 CarbonylContact O-C 3.53Å; R14-T17 WeakPolarHBondContact O-CB 3.42Å; R14-T17 PolarHBondContact O-N 3Å; R14-R18 PolarHBondContact O-N 2.83Å; R14-M44 WeakPolarHBondContact CD-O 3.06Å; R14-M44 PolarHBondContact NE-O 2.89Å
15L98.8Very high97.4Very high0 Ų021.9 Ų21.90%014%0.138CC..Hα-helixtrans-78.6-29.5-176.8-66.3171.2000113.2R11 I12 T17 R18 A19 H51 E316 F317 S320R11-L15 WeakPolarHBondContact O-CB 3.39Å; R11-L15 WeakPolarHBondContact O-CD1 3.44Å; R11-L15 VanDerWaalsContact O-CG 3.23Å; R11-L15 WeakPolarHBondContact O-CG 3.35Å; R11-L15 PolarHBondContact O-N 2.98Å; R11-L15 VanDerWaalsContact O-N 3.11Å; I12-L15 PolarHBondContact O-N 3.33Å; I12-L15 VanDerWaalsContact O-N 3.12Å; L15-T17 VanDerWaalsContact C-N 3.27Å; L15-R18 PolarHBondContact O-N 3.04Å; L15-A19 VanDerWaalsContact O-CB 3.29Å; L15-A19 WeakPolarHBondContact O-CB 3.32Å; L15-A19 PolarHBondContact O-N 3.02Å; L15-H51 HydrophobicContact CD2-CB 4.32Å; L15-H51 VanDerWaalsContact CD2-CD2 3.44Å; L15-H51 WeakPolarHBondContact CD2-CD2 3.17Å; L15-E316 HydrophobicContact CD1-CB 3.44Å; L15-E316 VanDerWaalsContact CD1-CB 3.44Å; L15-E316 HydrophobicContact CD1-CG 4.31Å; L15-F317 HydrophobicContact CD2-CD2 4.27Å; L15-S320 WeakPolarHBondContact CB-OG 3.13Å
16V98.9Very high97.3Very high0 Ų021.9 Ų21.90%014%0.138CC..Hα-helixtrans-61-41.4164.6171.30000109.7I4 I6 I12 A19 A20 V95 V323I4-V16 HydrophobicContact CD1-CG1 4.2Å; I6-V16 HydrophobicContact CD1-CB 4.4Å; I6-V16 HydrophobicContact CD1-CG1 3.76Å; I12-V16 HydrophobicContact CG2-CG2 3.92Å; I12-V16 WeakPolarHBondContact O-CB 3.31Å; I12-V16 VanDerWaalsContact O-CG2 3.31Å; I12-V16 WeakPolarHBondContact O-CG2 3.29Å; I12-V16 PolarHBondContact O-N 3.08Å; V16-A19 PolarHBondContact O-N 3.38Å; V16-A20 VanDerWaalsContact O-CB 3.31Å; V16-A20 WeakPolarHBondContact O-CB 3.48Å; V16-A20 PolarHBondContact O-N 3.2Å; V16-V95 HydrophobicContact CG1-CG2 4.36Å; V16-V323 HydrophobicContact CG1-CG1 4.43Å; V16-V323 HydrophobicContact CG2-CB 4.01Å; V16-V323 HydrophobicContact CG2-CG1 4.19Å; V16-V323 HydrophobicContact CG2-CG2 4.29Å
17T98.8Very high97.3Very high0 Ų025 Ų250%015%0.153CC..Hα-helixtrans-65.4-42.4175.6-54.60000112G13 R14 L15 A20 A21 V28 F45 I68 I73G13-T17 PolarHBondContact O-N 2.87Å; G13-T17 VanDerWaalsContact O-N 3.14Å; G13-T17 PolarHBondContact O-OG1 3.09Å; R14-T17 CarbonylContact O-C 3.53Å; R14-T17 WeakPolarHBondContact O-CB 3.42Å; R14-T17 PolarHBondContact O-N 3Å; L15-T17 VanDerWaalsContact C-N 3.27Å; T17-A20 PolarHBondContact O-N 2.95Å; T17-A21 WeakPolarHBondContact O-CB 3.42Å; T17-A21 PolarHBondContact O-N 2.93Å; T17-V28 HydrophobicContact CG2-CB 4.47Å; T17-V28 HydrophobicContact CG2-CG1 4.49Å; T17-V28 HydrophobicContact CG2-CG2 4.19Å; T17-F45 HydrophobicContact CG2-CD2 4.41Å; T17-F45 HydrophobicContact CG2-CE2 3.73Å; T17-F45 HydrophobicContact CG2-CZ 4.34Å; T17-I68 HydrophobicContact CG2-CD1 3.75Å; T17-I73 HydrophobicContact CG2-CD1 4.45Å
18R98.5Very high97.3Very high11 Ų1124.8 Ų24.84%0.04215%0.152CC..Hα-helixtrans-61.8-45.8173.1-71.7-163177.5-169.6-2.1111.7R14 L15 A20 A21 I22 F45 H51 G52 W54R14-R18 PolarHBondContact O-N 2.83Å; L15-R18 PolarHBondContact O-N 3.04Å; R18-A20 VanDerWaalsContact C-N 3.34Å; R18-A20 PolarHBondContact O-N 2.8Å; R18-A21 PolarHBondContact O-N 3.41Å; R18-I22 WeakPolarHBondContact O-CB 3.36Å; R18-I22 WeakPolarHBondContact O-CG1 3.26Å; R18-I22 PolarHBondContact O-N 3.33Å; R18-F45 HydrophobicContact CB-CE2 4.48Å; R18-F45 HydrophobicContact CG-CD2 4.41Å; R18-F45 HydrophobicContact CG-CE2 3.5Å; R18-F45 HydrophobicContact CG-CZ 3.61Å; R18-F45 PolarHBondContact NH2-O 3.29Å; R18-H51 PolarHBondContact NH1-O 2.83Å; R18-H51 VanDerWaalsContact NH1-O 3.17Å; R18-G52 PolarHBondContact NH1-O 3.31Å; R18-G52 PolarHBondContact NH2-O 3.33Å; R18-W54 HydrophobicContact CB-CZ3 3.95Å; R18-W54 HydrophobicContact CG-CE3 3.91Å; R18-W54 HydrophobicContact CG-CZ3 3.73Å
19A98Very high97.3Very high4 Ų425.1 Ų25.13%0.03315%0.152CC..Hα-helixtrans-62.2-41.1178.400000111.8L15 V16 G23L15-A19 VanDerWaalsContact O-CB 3.29Å; L15-A19 WeakPolarHBondContact O-CB 3.32Å; L15-A19 PolarHBondContact O-N 3.02Å; V16-A19 PolarHBondContact O-N 3.38Å; A19-G23 WeakPolarHBondContact O-CA 3.33Å; A19-G23 PolarHBondContact O-N 2.98Å
20A97.8Very high97.3Very high1 Ų125.1 Ų25.11%0.00815%0.152CC..Hα-helixtrans-61.7-47.1173.700000112V16 T17 R18 G24 V26 V28V16-A20 VanDerWaalsContact O-CB 3.31Å; V16-A20 WeakPolarHBondContact O-CB 3.48Å; V16-A20 PolarHBondContact O-N 3.2Å; T17-A20 PolarHBondContact O-N 2.95Å; R18-A20 VanDerWaalsContact C-N 3.34Å; R18-A20 PolarHBondContact O-N 2.8Å; A20-G24 WeakPolarHBondContact O-CA 3.37Å; A20-G24 PolarHBondContact O-N 2.94Å; A20-V26 HydrophobicContact CB-CG2 3.57Å; A20-V28 HydrophobicContact CB-CG2 3.86Å
21A96.9Very high97.3Very high33 Ų3323.7 Ų23.727%0.27314%0.138SC..Hα-helixtrans-66.9-36.1-17900000113.6T17 R18 W54 I68 M71T17-A21 WeakPolarHBondContact O-CB 3.42Å; T17-A21 PolarHBondContact O-N 2.93Å; R18-A21 PolarHBondContact O-N 3.41Å; A21-W54 HydrophobicContact CB-CH2 3.63Å; A21-W54 HydrophobicContact CB-CZ2 4.07Å; A21-I68 HydrophobicContact CB-CG2 4.4Å; A21-M71 HydrophobicContact CB-CE 4.08Å; A21-M71 HydrophobicContact CB-SD 4.06Å
22I95.1Very high97.3Very high88 Ų8821 Ų2145%0.45113%0.128SC..Hα-helixtrans-80.9-46.9178.3-65.3166.3000111.1R18 W54R18-I22 WeakPolarHBondContact O-CB 3.36Å; R18-I22 WeakPolarHBondContact O-CG1 3.26Å; R18-I22 PolarHBondContact O-N 3.33Å; I22-W54 HydrophobicContact CD1-CH2 4.39Å; I22-W54 HydrophobicContact CD1-CZ3 3.96Å; I22-W54 HydrophobicContact CG1-CH2 3.91Å; I22-W54 HydrophobicContact CG1-CZ3 4Å
23G91.9Very high97.3Very high45 Ų4520 Ų2046%0.46412%0.123SC..Hα-helixtrans-84.3-21.7-171.300000114.5A19 K25A19-G23 WeakPolarHBondContact O-CA 3.33Å; A19-G23 PolarHBondContact O-N 2.98Å; G23-K25 PolarHBondContact O-N 3.33Å; G23-K25 VanDerWaalsContact O-N 3.14Å
24G91.2Very high97.2Very high39 Ų3921.8 Ų21.840%0.40214%0.135SC..  trans6318.4177.200000115M1 A20M1-G24 WeakPolarHBondContact CE-O 3.13Å; A20-G24 WeakPolarHBondContact O-CA 3.37Å; A20-G24 PolarHBondContact O-N 2.94Å
25K91.8Very high97.2Very high89 Ų8928.4 Ų28.439%0.38716%0.164SC..SBendtrans-77.5-36.5179.5-60-176.2-170.8-179.20111.8G23 D325 Q328G23-K25 PolarHBondContact O-N 3.33Å; G23-K25 VanDerWaalsContact O-N 3.14Å; K25-D325 VanDerWaalsContact CD-OD1 3.26Å; K25-D325 WeakPolarHBondContact CD-OD1 3.42Å; K25-D325 WeakPolarHBondContact CE-OD1 3.23Å; K25-D325 IonicContact NZ-OD1 2.97Å; K25-D325 PolarHBondContact NZ-OD1 2.89Å; K25-D325 IonicContact NZ-OD2 3.77Å; K25-Q328 PolarHBondContact O-OE1 2.86Å
26V97.3Very high97.2Very high0 Ų029.1 Ų29.10%017%0.168CC..EExtended strand (participates in β ladder)trans-134.9153.7-176.5-54.70000109.2M1 V2 I4 A20 C324 V327 Q328M1-V26 VanDerWaalsContact SD-C 3.58Å; V2-V26 HydrophobicContact CG1-CB 3.93Å; V2-V26 HydrophobicContact CG1-CG1 3.5Å; V2-V26 VanDerWaalsContact CG1-CG1 3.5Å; I4-V26 HydrophobicContact CD1-CB 4.32Å; I4-V26 HydrophobicContact CD1-CG2 3.64Å; I4-V26 HydrophobicContact CG1-CG2 4.32Å; I4-V26 HydrophobicContact CG2-CB 4.11Å; A20-V26 HydrophobicContact CB-CG2 3.57Å; V26-C324 HydrophobicContact CG2-CB 4.2Å; V26-V327 HydrophobicContact CG1-CB 4.35Å; V26-V327 HydrophobicContact CG1-CG1 4.11Å; V26-Q328 HydrophobicContact CG1-CB 4.37Å
27E98Very high97.2Very high65 Ų6533.5 Ų33.530%0.30419%0.191SC..EExtended strand (participates in β ladder)trans-110.7117.1179.9-173-178.1-169.300109.8M1 V2 K3 I4 V29M1-E27 HydrophobicContact CG-CB 4.17Å; M1-E27 HydrophobicContact SD-CB 3.85Å; V2-E27 PolarHBondContact O-N 3.49Å; K3-E27 CarbonylContact C-O 3.57Å; K3-E27 WeakPolarHBondContact CA-O 3.18Å; I4-E27 PolarHBondContact N-O 3.22Å; E27-V29 HydrophobicContact CG-CG1 3.83Å; E27-V29 PolarHBondContact O-N 3.45Å
28V98.7Very high97.2Very high0 Ų034.9 Ų34.90%020%0.199CC..EExtended strand (participates in β ladder)trans-78.9121.2172.2-178.10000108.5I4 I6 T17 A20 I31 I73I4-V28 HydrophobicContact CD1-CG2 3.8Å; I4-V28 HydrophobicContact CG1-CB 4.32Å; I4-V28 HydrophobicContact CG1-CG2 3.74Å; I4-V28 WeakPolarHBondContact O-CA 3.42Å; I6-V28 HydrophobicContact CG1-CG1 4.05Å; I6-V28 HydrophobicContact CG1-CG2 4.46Å; T17-V28 HydrophobicContact CG2-CB 4.47Å; T17-V28 HydrophobicContact CG2-CG1 4.49Å; T17-V28 HydrophobicContact CG2-CG2 4.19Å; A20-V28 HydrophobicContact CB-CG2 3.86Å; V28-I31 HydrophobicContact CG1-CD1 4.43Å; V28-I31 HydrophobicContact CG1-CG1 4.11Å; V28-I73 HydrophobicContact CB-CD1 4.31Å; V28-I73 HydrophobicContact CG1-CD1 4.04Å; V28-I73 HydrophobicContact CG1-CG1 4.48Å; V28-I73 HydrophobicContact CG1-CG2 4.13Å
29V98.6Very high97.2Very high12 Ų1240 Ų407%0.07323%0.227CC..EExtended strand (participates in β ladder)trans-119-13.7-178.9-59.30000113.2K3 I4 E27 S74 A89 V91K3-V29 HydrophobicContact CB-CG1 4.13Å; K3-V29 HydrophobicContact CB-CG2 3.95Å; K3-V29 HydrophobicContact CD-CG1 4.08Å; K3-V29 HydrophobicContact CG-CG1 3.91Å; I4-V29 PolarHBondContact O-N 3.48Å; E27-V29 HydrophobicContact CG-CG1 3.83Å; E27-V29 PolarHBondContact O-N 3.45Å; V29-S74 PolarHBondContact O-N 2.92Å; V29-A89 VanDerWaalsContact CG2-O 3.26Å; V29-A89 WeakPolarHBondContact CG2-O 3.38Å; V29-V91 HydrophobicContact CG2-CG2 3.55Å
30A98.8Very high97.2Very high0 Ų044.9 Ų44.90%025%0.245CC..EExtended strand (participates in β ladder)trans-149.4149.9172.800000113.7G5 I6 S74 F76 W86 A89 V91G5-A30 CarbonylContact C-O 3.5Å; G5-A30 VanDerWaalsContact CA-O 3.26Å; G5-A30 WeakPolarHBondContact CA-O 3.38Å; I6-A30 PolarHBondContact N-O 3.06Å; A30-S74 CarbonylContact C-O 3.41Å; A30-S74 WeakPolarHBondContact CA-O 3.4Å; A30-F76 HydrophobicContact CB-CD2 4.35Å; A30-F76 HydrophobicContact CB-CE2 3.83Å; A30-W86 HydrophobicContact CB-CE3 3.95Å; A30-W86 HydrophobicContact CB-CZ3 3.67Å; A30-A89 HydrophobicContact CB-CB 3.82Å; A30-V91 HydrophobicContact CB-CG2 3.78Å
31I98.9Very high97.2Very high0 Ų044.8 Ų44.80%025%0.245CC..EExtended strand (participates in β ladder)trans-132.4137.2173.5-66.8162.5000108.7I6 F9 V28 M41 L66 I73 S74 V75 F76I6-I31 HydrophobicContact CB-CG1 4.14Å; I6-I31 HydrophobicContact CG1-CG1 4.36Å; I6-I31 CarbonylContact O-C 3.5Å; I6-I31 WeakPolarHBondContact O-CA 3.32Å; F9-I31 HydrophobicContact CB-CG2 3.79Å; F9-I31 HydrophobicContact CD1-CG2 4.46Å; F9-I31 HydrophobicContact CD2-CD1 3.89Å; F9-I31 HydrophobicContact CD2-CG1 4.26Å; F9-I31 HydrophobicContact CD2-CG2 3.73Å; F9-I31 HydrophobicContact CE2-CD1 3.43Å; F9-I31 VanDerWaalsContact CE2-CD1 3.43Å; F9-I31 HydrophobicContact CE2-CG1 4.22Å; F9-I31 HydrophobicContact CE2-CG2 4.39Å; F9-I31 HydrophobicContact CG-CG2 3.77Å; F9-I31 HydrophobicContact CZ-CD1 3.77Å; V28-I31 HydrophobicContact CG1-CD1 4.43Å; V28-I31 HydrophobicContact CG1-CG1 4.11Å; I31-M41 HydrophobicContact CG2-CE 3.87Å; I31-M41 HydrophobicContact CG2-SD 3.96Å; I31-L66 HydrophobicContact CD1-CD2 3.87Å; I31-I73 HydrophobicContact CB-CG2 4.31Å; I31-I73 HydrophobicContact CD1-CD1 4.27Å; I31-I73 HydrophobicContact CD1-CG2 3.74Å; I31-I73 HydrophobicContact CG1-CG2 3.76Å; I31-S74 PolarHBondContact N-O 3.31Å; I31-V75 CarbonylContact O-C 3.55Å; I31-V75 WeakPolarHBondContact O-CA 3.4Å; I31-F76 PolarHBondContact O-N 2.79Å
32N98.8Very high97.3Very high2 Ų244.4 Ų44.41%0.01124%0.239CC..EExtended strand (participates in β ladder)trans-117.8125.4168.8-179.171.1000110.6I6 N7 G8 F76 H77 E78 I84 W86I6-N32 PolarHBondContact O-N 3.22Å; N7-N32 PolarHBondContact OD1-ND2 2.84Å; G8-N32 PolarHBondContact N-O 3.46Å; N32-F76 WeakPolarHBondContact CA-O 3.33Å; N32-F76 HydrophobicContact CB-CB 4.01Å; N32-F76 VanDerWaalsContact OD1-CB 3.25Å; N32-F76 WeakPolarHBondContact OD1-CB 3.4Å; N32-F76 PolarHBondContact OD1-O 3.04Å; N32-H77 PolarHBondContact OD1-N 3.25Å; N32-E78 PolarHBondContact ND2-O 3.19Å; N32-E78 PolarHBondContact OD1-N 3.45Å; N32-I84 HydrophobicContact CB-CD1 3.85Å; N32-I84 HydrophobicContact CB-CG1 4.34Å; N32-I84 HydrophobicContact CB-CG2 4.37Å; N32-I84 WeakPolarHBondContact ND2-CD1 3.47Å; N32-W86 HydrophobicContact CB-CH2 3.86Å; N32-W86 HydrophobicContact CB-CZ2 4.36Å
33D98.6Very high97.5Very high13 Ų1346.6 Ų46.67%0.0724%0.242CC..  trans-152.3117163.8-159.5-54.6000110.6F9 F35 I36 M41 F76 H77F9-D33 HydrophobicContact CB-CB 3.98Å; F9-D33 PolarHBondContact N-OD2 2.9Å; D33-F35 PolarHBondContact O-N 2.9Å; D33-F35 WeakPolarHBondContact OD1-CB 3.22Å; D33-F35 PolarHBondContact OD1-N 2.86Å; D33-I36 HydrophobicContact CB-CB 4.28Å; D33-I36 HydrophobicContact CB-CD1 4.32Å; D33-I36 HydrophobicContact CB-CG1 4.37Å; D33-M41 HydrophobicContact CB-CE 3.93Å; D33-F76 PolarHBondContact N-O 2.65Å; D33-H77 PolarHBondContact O-ND1 3Å
34P98Very high97.8Very high38 Ų3846.3 Ų46.325%0.24723%0.229CC..THydrogen-bonded Turntrans-74.2-5.4-178.331.3-36.7000114H77 K79P34-H77 WeakPolarHBondContact CB-O 3.25Å; P34-K79 HydrophobicContact CB-CB 4.47Å; P34-K79 HydrophobicContact CB-CG 3.51Å; P34-K79 HydrophobicContact CG-CG 3.81Å
35F98.1Very high98.2Very high157 Ų15744.4 Ų44.469%0.68921%0.21SC*.THydrogen-bonded Turntrans-112.40.2-176-51.8-65.9000113.6D33D33-F35 PolarHBondContact O-N 2.9Å; D33-F35 WeakPolarHBondContact OD1-CB 3.22Å; D33-F35 PolarHBondContact OD1-N 2.86Å
36I98.3Very high98.5Very high14 Ų1444 Ų447%0.07221%0.208CC..  trans-135107.6-176-49.7172.8000107.5F9 D33 Y40 M41 M44 H77F9-I36 HydrophobicContact CB-CD1 4.22Å; D33-I36 HydrophobicContact CB-CB 4.28Å; D33-I36 HydrophobicContact CB-CD1 4.32Å; D33-I36 HydrophobicContact CB-CG1 4.37Å; I36-Y40 HydrophobicContact CG2-CD1 3.89Å; I36-Y40 HydrophobicContact CG2-CG 3.96Å; I36-M41 HydrophobicContact CB-CE 4.45Å; I36-M41 HydrophobicContact CB-CG 4.18Å; I36-M41 HydrophobicContact CG2-CB 4.26Å; I36-M41 HydrophobicContact CG2-CG 3.51Å; I36-M41 WeakPolarHBondContact O-CE 3.03Å; I36-M44 HydrophobicContact CD1-SD 3.81Å; I36-M44 HydrophobicContact CG1-SD 4.2Å; I36-M44 HydrophobicContact CG2-SD 3.99Å; I36-H77 PolarHBondContact O-CE1 2.97Å; I36-H77 PolarHBondContact O-ND1 3.28Å
37D98.3Very high98.6Very high93 Ų9349.4 Ų49.450%0.49723%0.229SC..  trans-70.9169.3173.164.449.5000112.1D39 Y40 M41D37-D39 PolarHBondContact O-N 2.88Å; D37-D39 PolarHBondContact OD1-N 2.93Å; D37-Y40 CarbonylContact O-C 3.17Å; D37-Y40 PolarHBondContact O-N 2.69Å; D37-Y40 VanDerWaalsContact OD1-CB 3.26Å; D37-Y40 WeakPolarHBondContact OD1-CB 3.39Å; D37-Y40 PolarHBondContact OD1-N 3.4Å; D37-M41 WeakPolarHBondContact O-CG 3.48Å; D37-M41 PolarHBondContact O-N 3.25Å
38L98.6Very high98.6Very high29 Ų2946.8 Ų46.815%0.15222%0.217CC..Hα-helixtrans-58.4-45.3-173.7174.359.5000113.6Y40 M41 V42 A61 L66 V75L38-Y40 VanDerWaalsContact C-N 3.29Å; L38-Y40 PolarHBondContact O-N 3.17Å; L38-M41 WeakPolarHBondContact O-CB 3.5Å; L38-M41 PolarHBondContact O-N 3Å; L38-V42 WeakPolarHBondContact O-CG2 3.44Å; L38-V42 PolarHBondContact O-N 3.31Å; L38-A61 HydrophobicContact CD1-CB 4.31Å; L38-A61 HydrophobicContact CD2-CB 3.73Å; L38-A61 HydrophobicContact CG-CB 3.72Å; L38-L66 HydrophobicContact CD1-CB 3.75Å; L38-L66 HydrophobicContact CD1-CD1 4.44Å; L38-V75 HydrophobicContact CD1-CG2 3.88Å
39D98.6Very high98.6Very high118 Ų11853 Ų5363%0.63126%0.261SS*.Hα-helixtrans-67.4-36179.6-71.3-34.1000110.8D37 V42 Y43D37-D39 PolarHBondContact O-N 2.88Å; D37-D39 PolarHBondContact OD1-N 2.93Å; D39-V42 WeakPolarHBondContact O-CB 3.49Å; D39-V42 PolarHBondContact O-N 2.88Å; D39-Y43 PolarHBondContact O-N 3Å; D39-Y43 VanDerWaalsContact O-N 3.14Å
40Y98.8Very high98.6Very high106 Ų10654 Ų5442%0.41627%0.267SS..Hα-helixtrans-69.5-35.5174.1-164.9-163.6000112.1I36 D37 L38 V42 Y43 M44I36-Y40 HydrophobicContact CG2-CD1 3.89Å; I36-Y40 HydrophobicContact CG2-CG 3.96Å; D37-Y40 CarbonylContact O-C 3.17Å; D37-Y40 PolarHBondContact O-N 2.69Å; D37-Y40 VanDerWaalsContact OD1-CB 3.26Å; D37-Y40 WeakPolarHBondContact OD1-CB 3.39Å; D37-Y40 PolarHBondContact OD1-N 3.4Å; L38-Y40 VanDerWaalsContact C-N 3.29Å; L38-Y40 PolarHBondContact O-N 3.17Å; Y40-V42 VanDerWaalsContact C-N 3.33Å; Y40-V42 PolarHBondContact O-N 2.85Å; Y40-Y43 AromaticContact CD2-CD1 3.89Å; Y40-Y43 HydrophobicContact CD2-CD1 3.89Å; Y40-Y43 AromaticContact CE2-CD1 3.73Å; Y40-Y43 HydrophobicContact CE2-CD1 3.73Å; Y40-Y43 HydrophobicContact CE2-CE1 4.22Å; Y40-Y43 PolarHBondContact O-N 2.82Å; Y40-M44 HydrophobicContact CD1-SD 4.38Å; Y40-M44 HydrophobicContact CD2-CG 3.6Å; Y40-M44 HydrophobicContact CD2-SD 4.18Å; Y40-M44 HydrophobicContact CE1-SD 4.03Å; Y40-M44 HydrophobicContact CE2-CG 3.38Å; Y40-M44 HydrophobicContact CE2-SD 3.81Å; Y40-M44 HydrophobicContact CG-CG 4.32Å; Y40-M44 HydrophobicContact CG-SD 4.45Å; Y40-M44 WeakPolarHBondContact O-CB 3.43Å; Y40-M44 WeakPolarHBondContact O-CG 3.23Å; Y40-M44 PolarHBondContact O-N 3.04Å
41M98.8Very high98.6Very high0 Ų055.7 Ų55.70%028%0.275CS..Hα-helixtrans-59.7-42.8172-70.9-168.7-175.300111.4F9 I31 D33 I36 D37 L38 Y43 M44 F45 L66 V75F9-M41 HydrophobicContact CD1-CB 4.21Å; F9-M41 HydrophobicContact CD1-CG 3.85Å; F9-M41 HydrophobicContact CD1-SD 4.19Å; F9-M41 HydrophobicContact CE1-CB 3.96Å; F9-M41 HydrophobicContact CE1-CG 4.11Å; F9-M41 HydrophobicContact CE1-SD 4.47Å; I31-M41 HydrophobicContact CG2-CE 3.87Å; I31-M41 HydrophobicContact CG2-SD 3.96Å; D33-M41 HydrophobicContact CB-CE 3.93Å; I36-M41 HydrophobicContact CB-CE 4.45Å; I36-M41 HydrophobicContact CB-CG 4.18Å; I36-M41 HydrophobicContact CG2-CB 4.26Å; I36-M41 HydrophobicContact CG2-CG 3.51Å; I36-M41 WeakPolarHBondContact O-CE 3.03Å; D37-M41 WeakPolarHBondContact O-CG 3.48Å; D37-M41 PolarHBondContact O-N 3.25Å; L38-M41 WeakPolarHBondContact O-CB 3.5Å; L38-M41 PolarHBondContact O-N 3Å; M41-Y43 VanDerWaalsContact C-N 3.35Å; M41-Y43 PolarHBondContact O-N 2.92Å; M41-M44 PolarHBondContact O-N 3.24Å; M41-F45 VanDerWaalsContact O-CB 3.23Å; M41-F45 WeakPolarHBondContact O-CB 3.31Å; M41-F45 PolarHBondContact O-N 3.25Å; M41-L66 HydrophobicContact CB-CD2 4.34Å; M41-V75 HydrophobicContact CE-CG1 3.55Å; M41-V75 HydrophobicContact SD-CG1 3.71Å; M41-V75 HydrophobicContact SD-CG2 3.99Å
42V98.8Very high98.6Very high24 Ų2457.4 Ų57.415%0.14529%0.292CS..Hα-helixtrans-56.3-50.7174.2169.60000110.2L38 D39 Y40 K46 V59 K60 A61 L66L38-V42 WeakPolarHBondContact O-CG2 3.44Å; L38-V42 PolarHBondContact O-N 3.31Å; D39-V42 WeakPolarHBondContact O-CB 3.49Å; D39-V42 PolarHBondContact O-N 2.88Å; Y40-V42 VanDerWaalsContact C-N 3.33Å; Y40-V42 PolarHBondContact O-N 2.85Å; V42-K46 WeakPolarHBondContact O-CB 3.31Å; V42-K46 PolarHBondContact O-N 3.06Å; V42-V59 HydrophobicContact CB-CG1 4.45Å; V42-V59 HydrophobicContact CG1-CG1 4.1Å; V42-K60 VanDerWaalsContact CG2-C 3.48Å; V42-A61 HydrophobicContact CG2-CB 4.21Å; V42-L66 HydrophobicContact CB-CD1 4.4Å; V42-L66 HydrophobicContact CG2-CD1 3.5Å; V42-L66 VanDerWaalsContact CG2-CD1 3.5Å
43Y98.9Very high98.5Very high134 Ų13460.8 Ų60.853%0.52531%0.313SS..Hα-helixtrans-61-53179.5172.1-93.5000112.4D39 Y40 M41 F45 K46 Y47D39-Y43 PolarHBondContact O-N 3Å; D39-Y43 VanDerWaalsContact O-N 3.14Å; Y40-Y43 AromaticContact CD2-CD1 3.89Å; Y40-Y43 HydrophobicContact CD2-CD1 3.89Å; Y40-Y43 AromaticContact CE2-CD1 3.73Å; Y40-Y43 HydrophobicContact CE2-CD1 3.73Å; Y40-Y43 HydrophobicContact CE2-CE1 4.22Å; Y40-Y43 PolarHBondContact O-N 2.82Å; M41-Y43 VanDerWaalsContact C-N 3.35Å; M41-Y43 PolarHBondContact O-N 2.92Å; Y43-F45 VanDerWaalsContact C-N 3.27Å; Y43-F45 PolarHBondContact O-N 3.37Å; Y43-K46 PolarHBondContact O-N 2.92Å; Y43-Y47 AromaticContact CD2-CD2 3.67Å; Y43-Y47 HydrophobicContact CD2-CD2 3.67Å; Y43-Y47 HydrophobicContact CD2-CE2 4.08Å; Y43-Y47 AromaticContact CE2-CD2 3.73Å; Y43-Y47 HydrophobicContact CE2-CD2 3.73Å; Y43-Y47 HydrophobicContact CE2-CE2 4.26Å; Y43-Y47 HydrophobicContact CG-CD2 4.44Å; Y43-Y47 PolarHBondContact O-N 2.83Å
44M98.8Very high98.5Very high39 Ų3961 Ų6119%0.19231%0.313CS..Hα-helixtrans-66.2-28.6-176.3-68.2-166.783.500113.1R14 I36 Y40 M41R14-M44 WeakPolarHBondContact CD-O 3.06Å; R14-M44 PolarHBondContact NE-O 2.89Å; I36-M44 HydrophobicContact CD1-SD 3.81Å; I36-M44 HydrophobicContact CG1-SD 4.2Å; I36-M44 HydrophobicContact CG2-SD 3.99Å; Y40-M44 HydrophobicContact CD1-SD 4.38Å; Y40-M44 HydrophobicContact CD2-CG 3.6Å; Y40-M44 HydrophobicContact CD2-SD 4.18Å; Y40-M44 HydrophobicContact CE1-SD 4.03Å; Y40-M44 HydrophobicContact CE2-CG 3.38Å; Y40-M44 HydrophobicContact CE2-SD 3.81Å; Y40-M44 HydrophobicContact CG-CG 4.32Å; Y40-M44 HydrophobicContact CG-SD 4.45Å; Y40-M44 WeakPolarHBondContact O-CB 3.43Å; Y40-M44 WeakPolarHBondContact O-CG 3.23Å; Y40-M44 PolarHBondContact O-N 3.04Å; M41-M44 PolarHBondContact O-N 3.24Å
45F98.8Very high98.5Very high0 Ų067.8 Ų67.80%034%0.339CS..Hα-helixtrans-78-41.4173.7-174.5-91.6000111.6F9 T17 R18 M41 Y43 W54 V59 I68F9-F45 HydrophobicContact CE1-CB 4.29Å; F9-F45 HydrophobicContact CZ-CB 4.23Å; F9-F45 AromaticContact CZ-CD2 3.85Å; F9-F45 HydrophobicContact CZ-CD2 3.85Å; F9-F45 HydrophobicContact CZ-CG 4.42Å; T17-F45 HydrophobicContact CG2-CD2 4.41Å; T17-F45 HydrophobicContact CG2-CE2 3.73Å; T17-F45 HydrophobicContact CG2-CZ 4.34Å; R18-F45 HydrophobicContact CB-CE2 4.48Å; R18-F45 HydrophobicContact CG-CD2 4.41Å; R18-F45 HydrophobicContact CG-CE2 3.5Å; R18-F45 HydrophobicContact CG-CZ 3.61Å; R18-F45 PolarHBondContact NH2-O 3.29Å; M41-F45 VanDerWaalsContact O-CB 3.23Å; M41-F45 WeakPolarHBondContact O-CB 3.31Å; M41-F45 PolarHBondContact O-N 3.25Å; Y43-F45 VanDerWaalsContact C-N 3.27Å; Y43-F45 PolarHBondContact O-N 3.37Å; F45-W54 HydrophobicContact CD1-CG 4.49Å; F45-W54 AromaticContact CE1-CD2 3.62Å; F45-W54 HydrophobicContact CE1-CD2 3.62Å; F45-W54 AromaticContact CE1-CE2 3.85Å; F45-W54 AromaticContact CE1-CE3 3.91Å; F45-W54 HydrophobicContact CE1-CE3 3.91Å; F45-W54 AromaticContact CE1-CG 3.91Å; F45-W54 HydrophobicContact CE1-CG 3.91Å; F45-W54 HydrophobicContact CE1-CZ2 4.3Å; F45-W54 HydrophobicContact CE1-CZ3 4.39Å; F45-W54 HydrophobicContact CZ-CD2 4.11Å; F45-W54 AromaticContact CZ-CE3 3.95Å; F45-W54 HydrophobicContact CZ-CE3 3.95Å; F45-W54 HydrophobicContact CZ-CH2 4.26Å; F45-W54 HydrophobicContact CZ-CZ2 4.38Å; F45-W54 HydrophobicContact CZ-CZ3 4.05Å; F45-V59 HydrophobicContact CD1-CB 4.44Å; F45-V59 HydrophobicContact CD1-CG1 3.87Å; F45-V59 HydrophobicContact CD1-CG2 3.69Å; F45-V59 HydrophobicContact CE1-CG2 3.84Å; F45-I68 HydrophobicContact CD1-CD1 3.94Å; F45-I68 HydrophobicContact CD1-CG1 4.3Å; F45-I68 HydrophobicContact CD2-CD1 4.1Å; F45-I68 HydrophobicContact CE1-CD1 3.71Å; F45-I68 HydrophobicContact CE1-CG1 4.09Å; F45-I68 HydrophobicContact CE1-CG2 3.69Å; F45-I68 HydrophobicContact CE2-CD1 3.88Å; F45-I68 HydrophobicContact CG-CD1 4.13Å; F45-I68 HydrophobicContact CZ-CD1 3.68Å; F45-I68 HydrophobicContact CZ-CG1 4.47Å; F45-I68 HydrophobicContact CZ-CG2 3.93Å
46K98.6Very high98.3Very high81 Ų8166.2 Ų66.235%0.35233%0.333SS..Hα-helixtrans-67-41.5-177.9-175.3172.3-178.4174.70112.5V42 Y43 V53 W54V42-K46 WeakPolarHBondContact O-CB 3.31Å; V42-K46 PolarHBondContact O-N 3.06Å; Y43-K46 PolarHBondContact O-N 2.92Å; K46-V53 CarbonylContact O-C 3.54Å; K46-V53 WeakPolarHBondContact O-CA 3.27Å; K46-W54 PolarHBondContact O-N 3.2Å
47Y98.8Very high98.1Very high112 Ų11267.6 Ų67.644%0.43935%0.351SS..  trans-114115.7-176.9-57.7-72.9000111Y43 V53Y43-Y47 AromaticContact CD2-CD2 3.67Å; Y43-Y47 HydrophobicContact CD2-CD2 3.67Å; Y43-Y47 HydrophobicContact CD2-CE2 4.08Å; Y43-Y47 AromaticContact CE2-CD2 3.73Å; Y43-Y47 HydrophobicContact CE2-CD2 3.73Å; Y43-Y47 HydrophobicContact CE2-CE2 4.26Å; Y43-Y47 HydrophobicContact CG-CD2 4.44Å; Y43-Y47 PolarHBondContact O-N 2.83Å; Y47-V53 HydrophobicContact CD1-CG1 4.02Å; Y47-V53 HydrophobicContact CD1-CG2 3.93Å; Y47-V53 HydrophobicContact CE1-CG1 3.98Å; Y47-V53 HydrophobicContact CE1-CG2 4.29Å
48D98.8Very high98Very high10 Ų1068.5 Ų68.55%0.05335%0.352CS..  trans-123.8123.3176.4-163.6-78000110.1R11 T50 H51 G52R11-D48 IonicContact CZ-OD1 3.56Å; R11-D48 IonicContact CZ-OD2 3.45Å; R11-D48 VanDerWaalsContact NH1-CG 3.3Å; R11-D48 IonicContact NH1-OD1 3.53Å; R11-D48 PolarHBondContact NH1-OD1 3.41Å; R11-D48 IonicContact NH1-OD2 3.45Å; R11-D48 PolarHBondContact NH1-OD2 2.96Å; R11-D48 IonicContact NH2-OD1 2.72Å; R11-D48 PolarHBondContact NH2-OD1 3.28Å; R11-D48 IonicContact NH2-OD2 2.69Å; R11-D48 PolarHBondContact NH2-OD2 3.48Å; D48-T50 PolarHBondContact O-N 2.94Å; D48-T50 WeakPolarHBondContact OD1-CB 3.49Å; D48-T50 PolarHBondContact OD1-N 3.43Å; D48-H51 HydrophobicContact CB-CB 4.41Å; D48-H51 IonicContact OD1-CD2 3.81Å; D48-H51 PolarHBondContact OD1-N 3.38Å; D48-G52 WeakPolarHBondContact CB-O 3.26Å; D48-G52 PolarHBondContact N-O 3.11Å; D48-G52 CarbonylContact O-C 3.45Å; D48-G52 WeakPolarHBondContact O-CA 3.42Å; D48-G52 PolarHBondContact O-N 2.77Å
49S98.8Very high98Very high132 Ų13267.9 Ų67.992%0.92335%0.349SS*.THydrogen-bonded Turntrans-66.6-25.5-177.9-52.60000113.4
50T98.6Very high98Very high33 Ų3365.9 Ų65.920%0.20234%0.335CS..THydrogen-bonded Turntrans-93.1-50.8-178.6-55.90000110.7R11 D48 N238R11-T50 PolarHBondContact NH2-OG1 2.86Å; D48-T50 PolarHBondContact O-N 2.94Å; D48-T50 WeakPolarHBondContact OD1-CB 3.49Å; D48-T50 PolarHBondContact OD1-N 3.43Å; T50-N238 HydrophobicContact CG2-CB 3.33Å; T50-N238 WeakPolarHBondContact CG2-ND2 3.24Å
51H98.4Very high98Very high35 Ų3562.6 Ų62.616%0.16233%0.33CS..THydrogen-bonded Turntrans-101.612.4-171.8-59.2-73.5000113.1R11 L15 R18 D48 D314 E316R11-H51 PolarHBondContact NH2-CD2 3.47Å; L15-H51 HydrophobicContact CD2-CB 4.32Å; L15-H51 VanDerWaalsContact CD2-CD2 3.44Å; L15-H51 WeakPolarHBondContact CD2-CD2 3.17Å; R18-H51 PolarHBondContact NH1-O 2.83Å; R18-H51 VanDerWaalsContact NH1-O 3.17Å; D48-H51 HydrophobicContact CB-CB 4.41Å; D48-H51 IonicContact OD1-CD2 3.81Å; D48-H51 PolarHBondContact OD1-N 3.38Å; H51-D314 IonicContact CE1-OD2 2.72Å; H51-D314 PolarHBondContact CE1-OD2 2.95Å; H51-E316 IonicContact CD2-OE2 3.01Å; H51-E316 IonicContact NE2-OE2 3.76Å; H51-E316 PolarHBondContact NE2-OE2 3.02Å
52G98.1Very high98Very high35 Ų3567.1 Ų67.136%0.36135%0.354SS..  trans69-178.517700000115.2R18 D48R18-G52 PolarHBondContact NH1-O 3.31Å; R18-G52 PolarHBondContact NH2-O 3.33Å; D48-G52 WeakPolarHBondContact CB-O 3.26Å; D48-G52 PolarHBondContact N-O 3.11Å; D48-G52 CarbonylContact O-C 3.45Å; D48-G52 WeakPolarHBondContact O-CA 3.42Å; D48-G52 PolarHBondContact O-N 2.77Å
53V98.3Very high97.8Very high73 Ų7369.5 Ų69.544%0.44238%0.384SS..SBendtrans-65.6137.4176.8-170.90000110K46 Y47 K55K46-V53 CarbonylContact O-C 3.54Å; K46-V53 WeakPolarHBondContact O-CA 3.27Å; Y47-V53 HydrophobicContact CD1-CG1 4.02Å; Y47-V53 HydrophobicContact CD1-CG2 3.93Å; Y47-V53 HydrophobicContact CE1-CG1 3.98Å; Y47-V53 HydrophobicContact CE1-CG2 4.29Å; V53-K55 PolarHBondContact O-N 3.1Å
54W98.1Very high97.7Very high18 Ų1865.8 Ų65.87%0.06839%0.386CS..  trans-62.6122.8172.4178.9-101.1000111.1R18 A21 I22 F45 K46 H56 G57 V59 I68R18-W54 HydrophobicContact CB-CZ3 3.95Å; R18-W54 HydrophobicContact CG-CE3 3.91Å; R18-W54 HydrophobicContact CG-CZ3 3.73Å; A21-W54 HydrophobicContact CB-CH2 3.63Å; A21-W54 HydrophobicContact CB-CZ2 4.07Å; I22-W54 HydrophobicContact CD1-CH2 4.39Å; I22-W54 HydrophobicContact CD1-CZ3 3.96Å; I22-W54 HydrophobicContact CG1-CH2 3.91Å; I22-W54 HydrophobicContact CG1-CZ3 4Å; F45-W54 HydrophobicContact CD1-CG 4.49Å; F45-W54 AromaticContact CE1-CD2 3.62Å; F45-W54 HydrophobicContact CE1-CD2 3.62Å; F45-W54 AromaticContact CE1-CE2 3.85Å; F45-W54 AromaticContact CE1-CE3 3.91Å; F45-W54 HydrophobicContact CE1-CE3 3.91Å; F45-W54 AromaticContact CE1-CG 3.91Å; F45-W54 HydrophobicContact CE1-CG 3.91Å; F45-W54 HydrophobicContact CE1-CZ2 4.3Å; F45-W54 HydrophobicContact CE1-CZ3 4.39Å; F45-W54 HydrophobicContact CZ-CD2 4.11Å; F45-W54 AromaticContact CZ-CE3 3.95Å; F45-W54 HydrophobicContact CZ-CE3 3.95Å; F45-W54 HydrophobicContact CZ-CH2 4.26Å; F45-W54 HydrophobicContact CZ-CZ2 4.38Å; F45-W54 HydrophobicContact CZ-CZ3 4.05Å; K46-W54 PolarHBondContact O-N 3.2Å; W54-H56 HydrophobicContact CD2-CB 4.45Å; W54-H56 HydrophobicContact CH2-CB 3.78Å; W54-H56 HydrophobicContact CZ2-CB 3.53Å; W54-H56 HydrophobicContact CZ3-CB 4.34Å; W54-H56 AromaticContact CZ3-CD2 3.84Å; W54-G57 PolarHBondContact NE1-O 3.23Å; W54-G57 VanDerWaalsContact NE1-O 3.08Å; W54-V59 HydrophobicContact CG-CG2 3.98Å; W54-I68 HydrophobicContact CZ2-CG2 3.83Å
55K96.7Very high97.7Very high181 Ų18167.4 Ų67.479%0.78739%0.392SS*.  trans-115.3-1.1-178.4-65.2180-175.6178.90114.1V53 G57V53-K55 PolarHBondContact O-N 3.1Å; K55-G57 PolarHBondContact O-N 3.26Å
56H95.1Very high97.7Very high123 Ų12367.4 Ų67.457%0.56939%0.392SS*.SBendtrans-101.142.3-169.3-51-82.3000113.1W54W54-H56 HydrophobicContact CD2-CB 4.45Å; W54-H56 HydrophobicContact CH2-CB 3.78Å; W54-H56 HydrophobicContact CZ2-CB 3.53Å; W54-H56 HydrophobicContact CZ3-CB 4.34Å; W54-H56 AromaticContact CZ3-CD2 3.84Å
57G94.2Very high97.7Very high43 Ų4364.4 Ų64.444%0.44338%0.38SS..SBendtrans118175.4177.600000113.8W54 K55W54-G57 PolarHBondContact NE1-O 3.23Å; W54-G57 VanDerWaalsContact NE1-O 3.08Å; K55-G57 PolarHBondContact O-N 3.26Å
58E96.6Very high97.6Very high113 Ų11359.3 Ų59.353%0.52836%0.36SS..  trans-67.9144.2-179.1-172.9175.1-130.200111.6K60 I68 G69E58-K60 HydrophobicContact CG-CB 4.42Å; E58-K60 HydrophobicContact CG-CD 4.28Å; E58-K60 HydrophobicContact CG-CG 4.26Å; E58-K60 IonicContact OE1-NZ 3.65Å; E58-K60 WeakPolarHBondContact OE2-CD 3.44Å; E58-K60 WeakPolarHBondContact OE2-CE 3.36Å; E58-K60 IonicContact OE2-NZ 2.97Å; E58-K60 PolarHBondContact OE2-NZ 3.27Å; E58-I68 WeakPolarHBondContact O-CA 3.47Å; E58-G69 PolarHBondContact O-N 2.8Å
59V98.3Very high97.4Very high15 Ų1560.6 Ų60.69%0.09138%0.375CS..EExtended strand (participates in β ladder)trans-127117169.7-175.10000107.3V42 F45 W54 L66 I67 I68V42-V59 HydrophobicContact CB-CG1 4.45Å; V42-V59 HydrophobicContact CG1-CG1 4.1Å; F45-V59 HydrophobicContact CD1-CB 4.44Å; F45-V59 HydrophobicContact CD1-CG1 3.87Å; F45-V59 HydrophobicContact CD1-CG2 3.69Å; F45-V59 HydrophobicContact CE1-CG2 3.84Å; W54-V59 HydrophobicContact CG-CG2 3.98Å; V59-L66 HydrophobicContact CG1-CD1 4.06Å; V59-I67 VanDerWaalsContact CA-O 3.25Å; V59-I67 WeakPolarHBondContact CA-O 3.44Å; V59-I68 HydrophobicContact CG1-CG1 4.36Å; V59-I68 HydrophobicContact CG2-CG2 4.47Å
60K98.6Very high97.1Very high76 Ų7664.3 Ų64.333%0.3338%0.375SS..EExtended strand (participates in β ladder)trans-151.8162.9-178.666.5176.1177.1-152.20112.5V42 E58 I67V42-K60 VanDerWaalsContact CG2-C 3.48Å; E58-K60 HydrophobicContact CG-CB 4.42Å; E58-K60 HydrophobicContact CG-CD 4.28Å; E58-K60 HydrophobicContact CG-CG 4.26Å; E58-K60 IonicContact OE1-NZ 3.65Å; E58-K60 WeakPolarHBondContact OE2-CD 3.44Å; E58-K60 WeakPolarHBondContact OE2-CE 3.36Å; E58-K60 IonicContact OE2-NZ 2.97Å; E58-K60 PolarHBondContact OE2-NZ 3.27Å; K60-I67 HydrophobicContact CG-CB 3.9Å; K60-I67 HydrophobicContact CG-CG1 4.18Å; K60-I67 PolarHBondContact N-O 3.23Å; K60-I67 VanDerWaalsContact N-O 3.09Å; K60-I67 PolarHBondContact O-N 3.14Å
61A98.6Very high97Very high37 Ų3763.9 Ų63.931%0.30637%0.371SS..EExtended strand (participates in β ladder)trans-86.9129.9164.500000108.7L38 V42 K65L38-A61 HydrophobicContact CD1-CB 4.31Å; L38-A61 HydrophobicContact CD2-CB 3.73Å; L38-A61 HydrophobicContact CG-CB 3.72Å; V42-A61 HydrophobicContact CG2-CB 4.21Å; A61-K65 WeakPolarHBondContact CA-O 3.4Å
62D98Very high96.9Very high95 Ų9568.1 Ų68.151%0.50839%0.391SS..EExtended strand (participates in β ladder)trans-150.1129.7174.6-170.410.9000110.3G64 K65 I67D62-G64 PolarHBondContact O-N 3.4Å; D62-G64 VanDerWaalsContact O-N 3.16Å; D62-K65 PolarHBondContact N-O 2.83Å; D62-K65 WeakPolarHBondContact O-CB 3.36Å; D62-K65 PolarHBondContact O-N 3.21Å; D62-I67 HydrophobicContact CB-CD1 4.27Å; D62-I67 HydrophobicContact CB-CG1 3.65Å
63G95.4Very high97Very high75 Ų7566.4 Ų66.477%0.77337%0.374SS*.THydrogen-bonded Turntrans54.333.8179.200000115K65G63-K65 VanDerWaalsContact C-N 3.26Å; G63-K65 PolarHBondContact O-N 3.35Å
64G96.2Very high97Very high56 Ų5664.4 Ų64.458%0.57736%0.363SS*.THydrogen-bonded Turntrans73.812.9-176.300000114.7D62D62-G64 PolarHBondContact O-N 3.4Å; D62-G64 VanDerWaalsContact O-N 3.16Å
65K98.3Very high97Very high72 Ų7264.8 Ų64.831%0.31337%0.367SS..EExtended strand (participates in β ladder)trans-116.2154.5177.5-63.7-174.8-177.2179.30111.3A61 D62 G63 I67 Q72 I73A61-K65 WeakPolarHBondContact CA-O 3.4Å; D62-K65 PolarHBondContact N-O 2.83Å; D62-K65 WeakPolarHBondContact O-CB 3.36Å; D62-K65 PolarHBondContact O-N 3.21Å; G63-K65 VanDerWaalsContact C-N 3.26Å; G63-K65 PolarHBondContact O-N 3.35Å; K65-I67 HydrophobicContact CB-CD1 4.17Å; K65-Q72 HydrophobicContact CD-CB 4.2Å; K65-I73 WeakPolarHBondContact CA-O 3.26Å; K65-I73 VanDerWaalsContact CB-O 3.29Å; K65-I73 WeakPolarHBondContact CB-O 3.42Å
66L98.7Very high97.1Very high0 Ų057.9 Ų57.90%034%0.337CS..EExtended strand (participates in β ladder)trans-85.8120.8166.3178.164.2000108.8F9 I31 L38 M41 V42 V59 I68 I73 V75F9-L66 HydrophobicContact CE1-CD2 4.47Å; F9-L66 HydrophobicContact CZ-CD2 4.23Å; I31-L66 HydrophobicContact CD1-CD2 3.87Å; L38-L66 HydrophobicContact CD1-CB 3.75Å; L38-L66 HydrophobicContact CD1-CD1 4.44Å; M41-L66 HydrophobicContact CB-CD2 4.34Å; V42-L66 HydrophobicContact CB-CD1 4.4Å; V42-L66 HydrophobicContact CG2-CD1 3.5Å; V42-L66 VanDerWaalsContact CG2-CD1 3.5Å; V59-L66 HydrophobicContact CG1-CD1 4.06Å; L66-I68 HydrophobicContact CD2-CD1 3.94Å; L66-I68 HydrophobicContact CD2-CG1 4.35Å; L66-I68 HydrophobicContact CG-CD1 4.22Å; L66-I68 HydrophobicContact CG-CG1 4.08Å; L66-I73 HydrophobicContact CB-CB 4.23Å; L66-I73 PolarHBondContact N-O 2.86Å; L66-I73 VanDerWaalsContact O-CB 3.31Å; L66-I73 WeakPolarHBondContact O-CB 3.47Å; L66-I73 PolarHBondContact O-N 2.82Å; L66-V75 HydrophobicContact CB-CG2 4.04Å
67I98.4Very high97.2Very high19 Ų1956.1 Ų56.110%0.09733%0.329CS..EExtended strand (participates in β ladder)trans-100.7125.4176.8-49.8-56.2000108.6V59 K60 D62 K65 M71 Q72V59-I67 VanDerWaalsContact CA-O 3.25Å; V59-I67 WeakPolarHBondContact CA-O 3.44Å; K60-I67 HydrophobicContact CG-CB 3.9Å; K60-I67 HydrophobicContact CG-CG1 4.18Å; K60-I67 PolarHBondContact N-O 3.23Å; K60-I67 VanDerWaalsContact N-O 3.09Å; K60-I67 PolarHBondContact O-N 3.14Å; D62-I67 HydrophobicContact CB-CD1 4.27Å; D62-I67 HydrophobicContact CB-CG1 3.65Å; K65-I67 HydrophobicContact CB-CD1 4.17Å; I67-M71 WeakPolarHBondContact CA-O 3.23Å; I67-Q72 HydrophobicContact CD1-CB 4.15Å; I67-Q72 HydrophobicContact CD1-CG 3.99Å
68I97.9Very high97.4Very high4 Ų457.6 Ų57.62%0.02132%0.324CS..EExtended strand (participates in β ladder)trans-129.499.6174.4-56.6174.1000108T17 A21 F45 W54 E58 V59 L66 K70 M71 I73T17-I68 HydrophobicContact CG2-CD1 3.75Å; A21-I68 HydrophobicContact CB-CG2 4.4Å; F45-I68 HydrophobicContact CD1-CD1 3.94Å; F45-I68 HydrophobicContact CD1-CG1 4.3Å; F45-I68 HydrophobicContact CD2-CD1 4.1Å; F45-I68 HydrophobicContact CE1-CD1 3.71Å; F45-I68 HydrophobicContact CE1-CG1 4.09Å; F45-I68 HydrophobicContact CE1-CG2 3.69Å; F45-I68 HydrophobicContact CE2-CD1 3.88Å; F45-I68 HydrophobicContact CG-CD1 4.13Å; F45-I68 HydrophobicContact CZ-CD1 3.68Å; F45-I68 HydrophobicContact CZ-CG1 4.47Å; F45-I68 HydrophobicContact CZ-CG2 3.93Å; W54-I68 HydrophobicContact CZ2-CG2 3.83Å; E58-I68 WeakPolarHBondContact O-CA 3.47Å; V59-I68 HydrophobicContact CG1-CG1 4.36Å; V59-I68 HydrophobicContact CG2-CG2 4.47Å; L66-I68 HydrophobicContact CD2-CD1 3.94Å; L66-I68 HydrophobicContact CD2-CG1 4.35Å; L66-I68 HydrophobicContact CG-CD1 4.22Å; L66-I68 HydrophobicContact CG-CG1 4.08Å; I68-K70 PolarHBondContact O-N 3.12Å; I68-M71 HydrophobicContact CB-CB 4.45Å; I68-M71 PolarHBondContact N-O 3.14Å; I68-M71 WeakPolarHBondContact O-CB 3.46Å; I68-M71 PolarHBondContact O-N 3.11Å; I68-I73 HydrophobicContact CD1-CD1 3.69Å; I68-I73 HydrophobicContact CG1-CD1 4.17Å
69G94.9Very high97.4Very high37 Ų3759.6 Ų59.638%0.38133%0.331SS..THydrogen-bonded Turntrans56.6-108.2-172.200000111.2E58E58-G69 PolarHBondContact O-N 2.8Å
70K92.3Very high97.2Very high211 Ų21162.4 Ų62.492%0.91735%0.346SS*.THydrogen-bonded Turntrans-94.3-11177.5-63.5-178.2-179.9178.40113.9I68I68-K70 PolarHBondContact O-N 3.12Å
71M95.9Very high97Very high23 Ų2359 Ų5911%0.11333%0.331CS..EExtended strand (participates in β ladder)trans-77.5126.8-179.2-63.2179.6171.700109.7A21 I67 I68 I73A21-M71 HydrophobicContact CB-CE 4.08Å; A21-M71 HydrophobicContact CB-SD 4.06Å; I67-M71 WeakPolarHBondContact CA-O 3.23Å; I68-M71 HydrophobicContact CB-CB 4.45Å; I68-M71 PolarHBondContact N-O 3.14Å; I68-M71 WeakPolarHBondContact O-CB 3.46Å; I68-M71 PolarHBondContact O-N 3.11Å; M71-I73 HydrophobicContact CB-CD1 4.18Å; M71-I73 HydrophobicContact CB-CG1 4.04Å
72Q97.3Very high96.9Very high124 Ų12459.1 Ų59.158%0.57933%0.332SS*.EExtended strand (participates in β ladder)trans-108.8109.2170.7-56.5-171.58.400108.8K65 I67K65-Q72 HydrophobicContact CD-CB 4.2Å; I67-Q72 HydrophobicContact CD1-CB 4.15Å; I67-Q72 HydrophobicContact CD1-CG 3.99Å
73I98.7Very high96.8Very high0 Ų058.8 Ų58.80%033%0.33CS..EExtended strand (participates in β ladder)trans-111.6119.4-165.6-52.1175.8000109.6T17 V28 I31 K65 L66 I68 M71T17-I73 HydrophobicContact CG2-CD1 4.45Å; V28-I73 HydrophobicContact CB-CD1 4.31Å; V28-I73 HydrophobicContact CG1-CD1 4.04Å; V28-I73 HydrophobicContact CG1-CG1 4.48Å; V28-I73 HydrophobicContact CG1-CG2 4.13Å; I31-I73 HydrophobicContact CB-CG2 4.31Å; I31-I73 HydrophobicContact CD1-CD1 4.27Å; I31-I73 HydrophobicContact CD1-CG2 3.74Å; I31-I73 HydrophobicContact CG1-CG2 3.76Å; K65-I73 WeakPolarHBondContact CA-O 3.26Å; K65-I73 VanDerWaalsContact CB-O 3.29Å; K65-I73 WeakPolarHBondContact CB-O 3.42Å; L66-I73 HydrophobicContact CB-CB 4.23Å; L66-I73 PolarHBondContact N-O 2.86Å; L66-I73 VanDerWaalsContact O-CB 3.31Å; L66-I73 WeakPolarHBondContact O-CB 3.47Å; L66-I73 PolarHBondContact O-N 2.82Å; I68-I73 HydrophobicContact CD1-CD1 3.69Å; I68-I73 HydrophobicContact CG1-CD1 4.17Å; M71-I73 HydrophobicContact CB-CD1 4.18Å; M71-I73 HydrophobicContact CB-CG1 4.04Å
74S98.6Very high97Very high31 Ų3155.2 Ų55.222%0.21729%0.294CS..EExtended strand (participates in β ladder)trans-67.7138.1172.2-63.80000110.5V29 A30 I31V29-S74 PolarHBondContact O-N 2.92Å; A30-S74 CarbonylContact C-O 3.41Å; A30-S74 WeakPolarHBondContact CA-O 3.4Å; I31-S74 PolarHBondContact N-O 3.31Å
75V98.4Very high97Very high25 Ų2559.6 Ų59.615%0.15230%0.297CS..EExtended strand (participates in β ladder)trans-113136.9-179.2179.20000110.8I31 L38 M41 L66 H77I31-V75 CarbonylContact O-C 3.55Å; I31-V75 WeakPolarHBondContact O-CA 3.4Å; L38-V75 HydrophobicContact CD1-CG2 3.88Å; M41-V75 HydrophobicContact CE-CG1 3.55Å; M41-V75 HydrophobicContact SD-CG1 3.71Å; M41-V75 HydrophobicContact SD-CG2 3.99Å; L66-V75 HydrophobicContact CB-CG2 4.04Å; V75-H77 VanDerWaalsContact CG1-CE1 3.47Å; V75-H77 WeakPolarHBondContact CG1-CE1 3.35Å
76F98.3Very high97Very high36 Ų3656.1 Ų56.116%0.15828%0.282CS..EExtended strand (participates in β ladder)trans-125.8155.6174.8-56.1-74.9000110.2A30 I31 N32 D33 I84 W86 A89A30-F76 HydrophobicContact CB-CD2 4.35Å; A30-F76 HydrophobicContact CB-CE2 3.83Å; I31-F76 PolarHBondContact O-N 2.79Å; N32-F76 WeakPolarHBondContact CA-O 3.33Å; N32-F76 HydrophobicContact CB-CB 4.01Å; N32-F76 VanDerWaalsContact OD1-CB 3.25Å; N32-F76 WeakPolarHBondContact OD1-CB 3.4Å; N32-F76 PolarHBondContact OD1-O 3.04Å; D33-F76 PolarHBondContact N-O 2.65Å; F76-I84 HydrophobicContact CB-CG2 4.32Å; F76-I84 HydrophobicContact CD2-CG2 3.79Å; F76-I84 HydrophobicContact CE2-CG2 4.24Å; F76-I84 HydrophobicContact CG-CG2 4.03Å; F76-W86 HydrophobicContact CD2-CZ3 4.22Å; F76-W86 HydrophobicContact CE2-CE3 4.27Å; F76-W86 HydrophobicContact CE2-CZ3 4.33Å; F76-A89 HydrophobicContact CE2-CB 4.45Å; F76-A89 HydrophobicContact CZ-CB 4.45Å
77H97.9Very high97Very high86 Ų8658.2 Ų58.240%0.39830%0.303SS..  trans-131.737.4-179-59.3-65.5000111.9N32 D33 P34 I36 V75N32-H77 PolarHBondContact OD1-N 3.25Å; D33-H77 PolarHBondContact O-ND1 3Å; P34-H77 WeakPolarHBondContact CB-O 3.25Å; I36-H77 PolarHBondContact O-CE1 2.97Å; I36-H77 PolarHBondContact O-ND1 3.28Å; V75-H77 VanDerWaalsContact CG1-CE1 3.47Å; V75-H77 WeakPolarHBondContact CG1-CE1 3.35Å
78E98.1Very high96.9Very high75 Ų7561.7 Ų61.735%0.3533%0.329SS..  trans-85.9129.4-176.2-60.2-61.1154.100111N32 N83 I84N32-E78 PolarHBondContact ND2-O 3.19Å; N32-E78 PolarHBondContact OD1-N 3.45Å; E78-N83 HydrophobicContact CB-CB 4.23Å; E78-N83 HydrophobicContact CG-CB 3.91Å; E78-N83 WeakPolarHBondContact OE2-CB 3.44Å; E78-I84 HydrophobicContact CB-CG1 3.74Å; E78-I84 HydrophobicContact CG-CG1 4.16Å
79K95.8Very high96.8Very high154 Ų15462.1 Ų62.167%0.6733%0.333SS*.SBendtrans-76.9-37.2171.3-70.8-177.5179.2176.40112.2P34P34-K79 HydrophobicContact CB-CB 4.47Å; P34-K79 HydrophobicContact CB-CG 3.51Å; P34-K79 HydrophobicContact CG-CG 3.81Å
80D95Very high96.9Very high75 Ų7562.7 Ų62.740%0.40133%0.334SS..SBendtrans-89.5117.1175.7-171.8-20.8000109.2A82 N83D80-A82 PolarHBondContact O-N 2.69Å; D80-A82 VanDerWaalsContact OD1-CB 3.24Å; D80-A82 WeakPolarHBondContact OD1-CB 3.39Å; D80-A82 PolarHBondContact OD1-N 3.38Å; D80-N83 PolarHBondContact O-N 3.41Å; D80-N83 VanDerWaalsContact O-N 3.07Å
81P94.6Very high97.2Very high4 Ų452.8 Ų52.83%0.02629%0.292CS..G310 helixtrans-60-16.417923.3-32.4000114N83 I84 F101 I109 H110P81-N83 VanDerWaalsContact C-N 3.29Å; P81-I84 HydrophobicContact CB-CD1 4.22Å; P81-F101 HydrophobicContact CG-CD1 4.21Å; P81-F101 HydrophobicContact CG-CD2 4.43Å; P81-F101 HydrophobicContact CG-CE1 3.84Å; P81-F101 HydrophobicContact CG-CE2 4.09Å; P81-F101 HydrophobicContact CG-CG 4.5Å; P81-F101 HydrophobicContact CG-CZ 3.77Å; P81-I109 HydrophobicContact CB-CB 4.44Å; P81-I109 HydrophobicContact CB-CG2 4.01Å; P81-I109 HydrophobicContact CG-CB 4.19Å; P81-I109 HydrophobicContact CG-CD1 4.15Å; P81-I109 HydrophobicContact CG-CG2 3.87Å; P81-H110 WeakPolarHBondContact CB-CE1 3.25Å
82A95.3Very high97.3Very high39 Ų3953.1 Ų53.132%0.32229%0.294SS..G310 helixtrans-70.3-25.6177.200000113D80 I109D80-A82 PolarHBondContact O-N 2.69Å; D80-A82 VanDerWaalsContact OD1-CB 3.24Å; D80-A82 WeakPolarHBondContact OD1-CB 3.39Å; D80-A82 PolarHBondContact OD1-N 3.38Å; A82-I109 HydrophobicContact CB-CG2 3.52Å
83N97.6Very high97.4Very high88 Ų8847.3 Ų47.347%0.47127%0.267SS..G310 helixtrans-85.8-12.1-178.1-66.4-19.7000112.7E78 D80 P81 K85E78-N83 HydrophobicContact CB-CB 4.23Å; E78-N83 HydrophobicContact CG-CB 3.91Å; E78-N83 WeakPolarHBondContact OE2-CB 3.44Å; D80-N83 PolarHBondContact O-N 3.41Å; D80-N83 VanDerWaalsContact O-N 3.07Å; P81-N83 VanDerWaalsContact C-N 3.29Å; N83-K85 PolarHBondContact O-N 2.72Å
84I98.3Very high97.4Very high0 Ų047.3 Ų47.30%027%0.267CS..  trans-73.1115.9-177.7-49.6165.5000109.5N32 F76 E78 P81 W86 G113N32-I84 HydrophobicContact CB-CD1 3.85Å; N32-I84 HydrophobicContact CB-CG1 4.34Å; N32-I84 HydrophobicContact CB-CG2 4.37Å; N32-I84 WeakPolarHBondContact ND2-CD1 3.47Å; F76-I84 HydrophobicContact CB-CG2 4.32Å; F76-I84 HydrophobicContact CD2-CG2 3.79Å; F76-I84 HydrophobicContact CE2-CG2 4.24Å; F76-I84 HydrophobicContact CG-CG2 4.03Å; E78-I84 HydrophobicContact CB-CG1 3.74Å; E78-I84 HydrophobicContact CG-CG1 4.16Å; P81-I84 HydrophobicContact CB-CD1 4.22Å; I84-W86 VanDerWaalsContact C-N 3.28Å; I84-W86 HydrophobicContact CB-CD2 4.35Å; I84-W86 HydrophobicContact CB-CZ2 4.22Å; I84-W86 HydrophobicContact CD1-CH2 4.48Å; I84-W86 HydrophobicContact CD1-CZ2 3.72Å; I84-W86 HydrophobicContact CG2-CD2 3.52Å; I84-W86 HydrophobicContact CG2-CE3 3.76Å; I84-W86 HydrophobicContact CG2-CG 4.14Å; I84-W86 HydrophobicContact CG2-CH2 3.81Å; I84-W86 HydrophobicContact CG2-CZ2 3.57Å; I84-W86 HydrophobicContact CG2-CZ3 3.9Å; I84-W86 PolarHBondContact O-N 3.01Å; I84-G113 VanDerWaalsContact O-CA 3.26Å; I84-G113 WeakPolarHBondContact O-CA 3.3Å
85K97.4Very high97.4Very high148 Ų14845.9 Ų45.964%0.64326%0.256SS*.  trans-85.561.6-177.1-60.7-174.9-178.1178.10112.2N83 G87 S88N83-K85 PolarHBondContact O-N 2.72Å; K85-G87 VanDerWaalsContact C-N 3.25Å; K85-G87 PolarHBondContact O-N 3.46Å; K85-S88 WeakPolarHBondContact O-CB 3.38Å; K85-S88 PolarHBondContact O-N 2.99Å; K85-S88 PolarHBondContact O-OG 2.84Å
86W98.5Very high97.4Very high0 Ų044.8 Ų44.80%025%0.25CC..G310 helixtrans-49.9-41.6-179.4-66.3129.4000114.3N7 A30 N32 F76 I84 S88 A89 A90 V91 V94 H110 G113 A115N7-W86 HydrophobicContact CB-CZ2 4.21Å; A30-W86 HydrophobicContact CB-CE3 3.95Å; A30-W86 HydrophobicContact CB-CZ3 3.67Å; N32-W86 HydrophobicContact CB-CH2 3.86Å; N32-W86 HydrophobicContact CB-CZ2 4.36Å; F76-W86 HydrophobicContact CD2-CZ3 4.22Å; F76-W86 HydrophobicContact CE2-CE3 4.27Å; F76-W86 HydrophobicContact CE2-CZ3 4.33Å; I84-W86 VanDerWaalsContact C-N 3.28Å; I84-W86 HydrophobicContact CB-CD2 4.35Å; I84-W86 HydrophobicContact CB-CZ2 4.22Å; I84-W86 HydrophobicContact CD1-CH2 4.48Å; I84-W86 HydrophobicContact CD1-CZ2 3.72Å; I84-W86 HydrophobicContact CG2-CD2 3.52Å; I84-W86 HydrophobicContact CG2-CE3 3.76Å; I84-W86 HydrophobicContact CG2-CG 4.14Å; I84-W86 HydrophobicContact CG2-CH2 3.81Å; I84-W86 HydrophobicContact CG2-CZ2 3.57Å; I84-W86 HydrophobicContact CG2-CZ3 3.9Å; I84-W86 PolarHBondContact O-N 3.01Å; W86-S88 PolarHBondContact O-N 3.27Å; W86-A89 CarbonylContact O-C 3.51Å; W86-A89 PolarHBondContact O-N 3.22Å; W86-A90 PolarHBondContact O-N 2.79Å; W86-V91 HydrophobicContact CB-CB 4.02Å; W86-V91 HydrophobicContact CB-CG1 4.31Å; W86-V91 HydrophobicContact CD2-CG1 4.48Å; W86-V91 HydrophobicContact CE3-CB 4.33Å; W86-V91 HydrophobicContact CE3-CG1 4.37Å; W86-V91 HydrophobicContact CE3-CG2 3.84Å; W86-V91 PolarHBondContact O-N 2.94Å; W86-V94 HydrophobicContact CD2-CG2 3.9Å; W86-V94 HydrophobicContact CG-CG2 4.01Å; W86-V94 HydrophobicContact CZ2-CG1 4.05Å; W86-V94 HydrophobicContact CZ2-CG2 4.14Å; W86-H110 AromaticContact NE1-CG 3.67Å; W86-H110 AromaticContact NE1-ND1 3.17Å; W86-H110 PolarHBondContact NE1-ND1 3.31Å; W86-H110 VanDerWaalsContact NE1-ND1 3.17Å; W86-G113 WeakPolarHBondContact CA-O 3.39Å; W86-G113 WeakPolarHBondContact CB-O 3.42Å; W86-G113 PolarHBondContact N-O 3.4Å; W86-A115 HydrophobicContact CB-CB 4.38Å; W86-A115 HydrophobicContact CG-CB 4.44Å
87G97.1Very high97.4Very high43 Ų4343.9 Ų43.944%0.44325%0.248SC..G310 helixtrans-60.2-31.6179.200000113.5K85 A89 A90 G113K85-G87 VanDerWaalsContact C-N 3.25Å; K85-G87 PolarHBondContact O-N 3.46Å; G87-A89 PolarHBondContact O-N 2.86Å; G87-A90 PolarHBondContact O-N 2.82Å; G87-A90 VanDerWaalsContact O-N 3.11Å; G87-G113 PolarHBondContact N-O 3.38Å
88S96.9Very high97.5Very high93 Ų9342.1 Ų42.165%0.6524%0.243SC*.G310 helixtrans-67.7-22.8177.1720000113.3K85 W86K85-S88 WeakPolarHBondContact O-CB 3.38Å; K85-S88 PolarHBondContact O-N 2.99Å; K85-S88 PolarHBondContact O-OG 2.84Å; W86-S88 PolarHBondContact O-N 3.27Å
89A97Very high97.3Very high13 Ų1341.1 Ų41.111%0.10725%0.252CS..G310 helixtrans-101.69.7175.400000112.8V29 A30 F76 W86 G87 V91V29-A89 VanDerWaalsContact CG2-O 3.26Å; V29-A89 WeakPolarHBondContact CG2-O 3.38Å; A30-A89 HydrophobicContact CB-CB 3.82Å; F76-A89 HydrophobicContact CE2-CB 4.45Å; F76-A89 HydrophobicContact CZ-CB 4.45Å; W86-A89 CarbonylContact O-C 3.51Å; W86-A89 PolarHBondContact O-N 3.22Å; G87-A89 PolarHBondContact O-N 2.86Å; A89-V91 VanDerWaalsContact C-N 3.26Å; A89-V91 HydrophobicContact CB-CG2 4.32Å; A89-V91 PolarHBondContact O-N 2.77Å
90A96.8Very high97.3Very high48 Ų4837.9 Ų37.940%0.39725%0.246SC..THydrogen-bonded Turntrans54.837.6-177.600000113.9K3 W86 G87K3-A90 VanDerWaalsContact CB-O 3.29Å; K3-A90 WeakPolarHBondContact CB-O 3.45Å; K3-A90 HydrophobicContact CD-CB 4.17Å; K3-A90 VanDerWaalsContact CD-O 3.27Å; K3-A90 WeakPolarHBondContact CD-O 3.36Å; W86-A90 PolarHBondContact O-N 2.79Å; G87-A90 PolarHBondContact O-N 2.82Å; G87-A90 VanDerWaalsContact O-N 3.11Å
91V98.5Very high97.4Very high4 Ų436.2 Ų36.22%0.02424%0.235CC..  trans-75.2123.6174.4168.20000110.3V29 A30 W86 A89 Y93 V94V29-V91 HydrophobicContact CG2-CG2 3.55Å; A30-V91 HydrophobicContact CB-CG2 3.78Å; W86-V91 HydrophobicContact CB-CB 4.02Å; W86-V91 HydrophobicContact CB-CG1 4.31Å; W86-V91 HydrophobicContact CD2-CG1 4.48Å; W86-V91 HydrophobicContact CE3-CB 4.33Å; W86-V91 HydrophobicContact CE3-CG1 4.37Å; W86-V91 HydrophobicContact CE3-CG2 3.84Å; W86-V91 PolarHBondContact O-N 2.94Å; A89-V91 VanDerWaalsContact C-N 3.26Å; A89-V91 HydrophobicContact CB-CG2 4.32Å; A89-V91 PolarHBondContact O-N 2.77Å; V91-Y93 VanDerWaalsContact CG1-O 3.3Å; V91-Y93 WeakPolarHBondContact CG1-O 3.23Å; V91-V94 HydrophobicContact CG1-CG2 3.81Å
92D97.8Very high97.6Very high30 Ų3037.8 Ų37.816%0.1625%0.245CC..  trans-88.3-44.7172.6-66.1-62.6000111.3V2 K3 K116 R117V2-D92 HydrophobicContact CG2-CB 4.34Å; K3-D92 PolarHBondContact O-N 2.89Å; D92-K116 HydrophobicContact CB-CD 4.41Å; D92-K116 WeakPolarHBondContact O-CA 3.45Å; D92-K116 WeakPolarHBondContact O-CB 3.2Å; D92-K116 PolarHBondContact O-N 3.42Å; D92-K116 WeakPolarHBondContact OD1-CE 3.43Å; D92-K116 IonicContact OD1-NZ 2.76Å; D92-K116 PolarHBondContact OD1-NZ 2.84Å; D92-R117 PolarHBondContact O-N 3.24Å
93Y98.8Very high97.7Very high2 Ų237.6 Ų37.61%0.00824%0.24CC..EExtended strand (participates in β ladder)trans-123.2135.9-174.3-78-121.1000110.4V2 K3 I4 G5 V91 R117 V327 M330 F331 E334V2-Y93 HydrophobicContact CG2-CD2 3.5Å; V2-Y93 VanDerWaalsContact CG2-CD2 3.5Å; V2-Y93 HydrophobicContact CG2-CE2 3.94Å; V2-Y93 HydrophobicContact CG2-CG 4.06Å; K3-Y93 PolarHBondContact O-N 2.72Å; K3-Y93 VanDerWaalsContact O-N 3.16Å; I4-Y93 CarbonylContact C-O 3.57Å; I4-Y93 WeakPolarHBondContact CA-O 3.46Å; G5-Y93 PolarHBondContact N-O 3.37Å; V91-Y93 VanDerWaalsContact CG1-O 3.3Å; V91-Y93 WeakPolarHBondContact CG1-O 3.23Å; Y93-R117 WeakPolarHBondContact CA-O 3.26Å; Y93-R117 HydrophobicContact CD1-CB 3.5Å; Y93-R117 HydrophobicContact CD1-CG 3.98Å; Y93-R117 HydrophobicContact CD2-CB 4.22Å; Y93-R117 HydrophobicContact CD2-CG 4.26Å; Y93-R117 HydrophobicContact CE1-CB 3.58Å; Y93-R117 HydrophobicContact CE1-CG 3.53Å; Y93-R117 HydrophobicContact CE2-CB 4.24Å; Y93-R117 HydrophobicContact CE2-CG 3.8Å; Y93-R117 HydrophobicContact CG-CB 3.84Å; Y93-R117 HydrophobicContact CG-CG 4.32Å; Y93-R117 VanDerWaalsContact CZ-CG 3.42Å; Y93-V327 HydrophobicContact CD1-CB 4.47Å; Y93-V327 HydrophobicContact CD1-CG1 3.77Å; Y93-V327 HydrophobicContact CD1-CG2 4.37Å; Y93-V327 HydrophobicContact CE1-CG1 4.38Å; Y93-V327 HydrophobicContact CG-CG1 3.96Å; Y93-M330 HydrophobicContact CD1-CE 4.36Å; Y93-M330 HydrophobicContact CE1-CB 3.63Å; Y93-M330 HydrophobicContact CE1-CE 3.72Å; Y93-M330 HydrophobicContact CE1-CG 4.46Å; Y93-M330 HydrophobicContact CE1-SD 4.02Å; Y93-F331 HydrophobicContact CE2-CD2 4.31Å; Y93-F331 PolarHBondContact OH-N 3.05Å; Y93-E334 PolarHBondContact OH-OE1 3.21Å
94V98.9Very high97.8Very high0 Ų036.2 Ų36.20%023%0.231CC..EExtended strand (participates in β ladder)trans-104.9130.1173.1174.30000110G5 N7 W86 V91 H110 A115 R117 V118 V119G5-V94 CarbonylContact O-C 3.57Å; G5-V94 WeakPolarHBondContact O-CA 3.43Å; N7-V94 HydrophobicContact CB-CG1 4.33Å; W86-V94 HydrophobicContact CD2-CG2 3.9Å; W86-V94 HydrophobicContact CG-CG2 4.01Å; W86-V94 HydrophobicContact CZ2-CG1 4.05Å; W86-V94 HydrophobicContact CZ2-CG2 4.14Å; V91-V94 HydrophobicContact CG1-CG2 3.81Å; V94-H110 HydrophobicContact CB-CB 4.42Å; V94-H110 HydrophobicContact CG1-CB 4.45Å; V94-H110 HydrophobicContact CG2-CB 4.25Å; V94-A115 HydrophobicContact CG2-CB 3.53Å; V94-R117 PolarHBondContact N-O 3.42Å; V94-V118 HydrophobicContact CB-CG1 4.47Å; V94-V118 HydrophobicContact CB-CG2 4.46Å; V94-V118 CarbonylContact O-C 3.54Å; V94-V118 WeakPolarHBondContact O-CA 3.34Å; V94-V119 PolarHBondContact O-N 3.11Å
95V98.9Very high97.8Very high0 Ų042.3 Ų42.30%026%0.264CS..EExtended strand (participates in β ladder)trans-89.4110.7164.1179.20000107.6I4 G5 I6 N7 V16 S97 V119 V323I4-V95 HydrophobicContact CD1-CG2 4.21Å; G5-V95 PolarHBondContact O-N 2.85Å; I6-V95 HydrophobicContact CD1-CB 3.74Å; I6-V95 HydrophobicContact CD1-CG1 4.37Å; I6-V95 HydrophobicContact CD1-CG2 3.93Å; N7-V95 PolarHBondContact N-O 2.9Å; V16-V95 HydrophobicContact CG1-CG2 4.36Å; V95-S97 PolarHBondContact O-N 3.45Å; V95-V119 WeakPolarHBondContact CA-O 3.16Å; V95-V323 HydrophobicContact CB-CG1 4.42Å; V95-V323 HydrophobicContact CG1-CG1 3.78Å; V95-V323 HydrophobicContact CG2-CG1 3.73Å
96E98.8Very high97.8Very high3 Ų340 Ų401%0.01425%0.254CS..EExtended strand (participates in β ladder)trans-88.2101.1176.1169.643.9-115.100109.1N7 T98 F101 H110 V118 V119 S121N7-E96 PolarHBondContact ND2-OE2 2.81Å; E96-T98 WeakPolarHBondContact OE1-CA 3.26Å; E96-T98 WeakPolarHBondContact OE1-CB 3.47Å; E96-T98 WeakPolarHBondContact OE1-CG2 3.36Å; E96-T98 PolarHBondContact OE1-N 3.14Å; E96-T98 PolarHBondContact OE1-OG1 2.95Å; E96-F101 HydrophobicContact CG-CB 4.01Å; E96-F101 WeakPolarHBondContact CG-O 3.24Å; E96-H110 IonicContact OE2-CE1 3.98Å; E96-H110 IonicContact OE2-NE2 3.42Å; E96-H110 PolarHBondContact OE2-NE2 3.01Å; E96-H110 VanDerWaalsContact OE2-NE2 3.08Å; E96-V118 HydrophobicContact CB-CG1 3.9Å; E96-V119 PolarHBondContact N-O 3.24Å; E96-S121 PolarHBondContact O-N 2.85Å; E96-S121 PolarHBondContact O-OG 3.19Å
97S98.6Very high97.8Very high16 Ų1640 Ų4011%0.11225%0.254CS..  trans-124.421.6-173.352.90000114.6N7 G8 V95 S121N7-S97 CarbonylContact O-C 3.57Å; N7-S97 WeakPolarHBondContact O-CA 3.43Å; N7-S97 PolarHBondContact O-N 3.23Å; N7-S97 PolarHBondContact O-OG 2.9Å; G8-S97 PolarHBondContact O-OG 2.9Å; V95-S97 PolarHBondContact O-N 3.45Å; S97-S121 VanDerWaalsContact CA-OG 3.24Å; S97-S121 WeakPolarHBondContact CA-OG 3.45Å; S97-S121 WeakPolarHBondContact CB-OG 3.48Å
98T98.2Very high97.9Very high50 Ų5039.7 Ų39.731%0.30725%0.245SC..SBendtrans-75.4-27.6173.870.10000112.4N7 E96 V100 F101N7-T98 HydrophobicContact CB-CG2 4.41Å; N7-T98 WeakPolarHBondContact ND2-CG2 3.25Å; N7-T98 PolarHBondContact O-N 2.85Å; E96-T98 WeakPolarHBondContact OE1-CA 3.26Å; E96-T98 WeakPolarHBondContact OE1-CB 3.47Å; E96-T98 WeakPolarHBondContact OE1-CG2 3.36Å; E96-T98 PolarHBondContact OE1-N 3.14Å; E96-T98 PolarHBondContact OE1-OG1 2.95Å; T98-V100 VanDerWaalsContact C-N 3.3Å; T98-V100 PolarHBondContact OG1-N 2.65Å; T98-F101 HydrophobicContact CG2-CD2 4.23Å; T98-F101 HydrophobicContact CG2-CE2 4.31Å; T98-F101 WeakPolarHBondContact OG1-CD2 3.32Å
99G95.7Very high97.9Very high53 Ų5337.1 Ų37.155%0.54622%0.223SC..SBendtrans80.62.9-171.600000114.7
100V95.5Very high98Very high87 Ų8736.5 Ų36.553%0.52722%0.218SC..SBendtrans-106.7-32.2-176.5-176.80000112.7T98 T102T98-V100 VanDerWaalsContact C-N 3.3Å; T98-V100 PolarHBondContact OG1-N 2.65Å; V100-T102 PolarHBondContact O-N 3.12Å
101F97.1Very high98Very high39 Ų3936.7 Ų36.717%0.17121%0.212CC..  trans-102.158.4-175.3-52.6-70.1000112P81 E96 T98 K106P81-F101 HydrophobicContact CG-CD1 4.21Å; P81-F101 HydrophobicContact CG-CD2 4.43Å; P81-F101 HydrophobicContact CG-CE1 3.84Å; P81-F101 HydrophobicContact CG-CE2 4.09Å; P81-F101 HydrophobicContact CG-CG 4.5Å; P81-F101 HydrophobicContact CG-CZ 3.77Å; E96-F101 HydrophobicContact CG-CB 4.01Å; E96-F101 WeakPolarHBondContact CG-O 3.24Å; T98-F101 HydrophobicContact CG2-CD2 4.23Å; T98-F101 HydrophobicContact CG2-CE2 4.31Å; T98-F101 WeakPolarHBondContact OG1-CD2 3.32Å; F101-K106 HydrophobicContact CB-CB 3.96Å; F101-K106 HydrophobicContact CD1-CB 4.08Å; F101-K106 HydrophobicContact CD1-CD 4.4Å; F101-K106 HydrophobicContact CD1-CG 4.49Å
102T97.8Very high97.9Very high38 Ų3844.6 Ų44.623%0.23325%0.246CC..  trans-95.88.4-169.564.50000115.5V100 I120 A122 S124V100-T102 PolarHBondContact O-N 3.12Å; T102-I120 HydrophobicContact CG2-CG2 4.22Å; T102-A122 HydrophobicContact CG2-CB 4.14Å; T102-S124 WeakPolarHBondContact O-CA 3.49Å; T102-S124 WeakPolarHBondContact O-CB 3.29Å; T102-S124 PolarHBondContact O-OG 2.85Å
103T98.5Very high97.8Very high35 Ų3543.8 Ų43.822%0.21525%0.245CC..SBendtrans-108.4159.4174.663.80000111D105 K106 A107 D126T103-D105 VanDerWaalsContact C-N 3.29Å; T103-D105 PolarHBondContact O-N 3.02Å; T103-K106 PolarHBondContact O-N 3.32Å; T103-K106 WeakPolarHBondContact OG1-CB 3.37Å; T103-K106 WeakPolarHBondContact OG1-CG 3.42Å; T103-K106 PolarHBondContact OG1-N 2.96Å; T103-A107 VanDerWaalsContact O-CB 3.3Å; T103-A107 WeakPolarHBondContact O-CB 3.39Å; T103-A107 PolarHBondContact O-N 2.83Å; T103-D126 WeakPolarHBondContact CA-OD1 3.16Å; T103-D126 WeakPolarHBondContact CB-OD2 3.26Å
104I98.4Very high97.7Very high58 Ų5845.7 Ų45.730%0.29727%0.265SS..Hα-helixtrans-53-50.4176.9-68.2175.5000110K106 A107 S108 D126 A127I104-K106 PolarHBondContact O-N 3.49Å; I104-A107 PolarHBondContact O-N 2.94Å; I104-S108 WeakPolarHBondContact O-CB 3.29Å; I104-S108 PolarHBondContact O-N 2.92Å; I104-S108 PolarHBondContact O-OG 3.16Å; I104-D126 HydrophobicContact CD1-CB 4.3Å; I104-D126 WeakPolarHBondContact CD1-O 3.29Å; I104-D126 HydrophobicContact CG1-CB 4.42Å; I104-D126 PolarHBondContact N-OD1 2.73Å; I104-D126 PolarHBondContact N-OD2 3.22Å; I104-D126 VanDerWaalsContact N-OD2 3.14Å; I104-A127 HydrophobicContact CD1-CB 4.42Å; I104-A127 HydrophobicContact CG1-CB 3.74Å
105D98.1Very high97.6Very high129 Ų12946 Ų4669%0.6927%0.268SS*.Hα-helixtrans-59.3-45.4-176.9-70.5-11.1000112.5T103T103-D105 VanDerWaalsContact C-N 3.29Å; T103-D105 PolarHBondContact O-N 3.02Å
106K98.2Very high97.6Very high100 Ų10051.7 Ų51.744%0.43529%0.293SS..Hα-helixtrans-69.6-44.8-178.4-74.5-177.4178.6-175.50111.9F101 T103 I104 I109F101-K106 HydrophobicContact CB-CB 3.96Å; F101-K106 HydrophobicContact CD1-CB 4.08Å; F101-K106 HydrophobicContact CD1-CD 4.4Å; F101-K106 HydrophobicContact CD1-CG 4.49Å; T103-K106 PolarHBondContact O-N 3.32Å; T103-K106 WeakPolarHBondContact OG1-CB 3.37Å; T103-K106 WeakPolarHBondContact OG1-CG 3.42Å; T103-K106 PolarHBondContact OG1-N 2.96Å; I104-K106 PolarHBondContact O-N 3.49Å; K106-I109 WeakPolarHBondContact O-CB 3.47Å; K106-I109 WeakPolarHBondContact O-CD1 3.38Å; K106-I109 VanDerWaalsContact O-CG1 3.3Å; K106-I109 WeakPolarHBondContact O-CG1 3.46Å; K106-I109 PolarHBondContact O-N 2.8Å
107A98.4Very high97.5Very high0 Ų051.8 Ų51.80%029%0.293CS..Hα-helixtrans-70.7-32.4179.700000112.1T103 I104 I109 H110 V118 I120 V145T103-A107 VanDerWaalsContact O-CB 3.3Å; T103-A107 WeakPolarHBondContact O-CB 3.39Å; T103-A107 PolarHBondContact O-N 2.83Å; I104-A107 PolarHBondContact O-N 2.94Å; A107-I109 PolarHBondContact O-N 3.22Å; A107-I109 VanDerWaalsContact O-N 3.07Å; A107-H110 PolarHBondContact O-CD2 2.97Å; A107-H110 PolarHBondContact O-N 3.11Å; A107-V118 HydrophobicContact CB-CG1 4.01Å; A107-I120 HydrophobicContact CB-CD1 3.88Å; A107-I120 HydrophobicContact CB-CG1 3.95Å; A107-V145 HydrophobicContact CB-CG1 3.69Å
108S98.4Very high97.6Very high35 Ų3551 Ų5125%0.24529%0.287CS..THydrogen-bonded Turntrans-62.2-16.5178.4-66.40000113.3I104 H110 L111 V145I104-S108 WeakPolarHBondContact O-CB 3.29Å; I104-S108 PolarHBondContact O-N 2.92Å; I104-S108 PolarHBondContact O-OG 3.16Å; S108-H110 PolarHBondContact O-N 2.9Å; S108-L111 VanDerWaalsContact O-CB 3.27Å; S108-L111 WeakPolarHBondContact O-CB 3.49Å; S108-L111 WeakPolarHBondContact O-CG 3.31Å; S108-L111 PolarHBondContact O-N 3.22Å; S108-V145 WeakPolarHBondContact OG-CG2 3.28Å
109I98.1Very high97.6Very high39 Ų3948.6 Ų48.620%0.227%0.273CS..Hα-helixtrans-55.9-36.4175-63.4173.4000111.1P81 A82 K106 A107 L111 K112P81-I109 HydrophobicContact CB-CB 4.44Å; P81-I109 HydrophobicContact CB-CG2 4.01Å; P81-I109 HydrophobicContact CG-CB 4.19Å; P81-I109 HydrophobicContact CG-CD1 4.15Å; P81-I109 HydrophobicContact CG-CG2 3.87Å; A82-I109 HydrophobicContact CB-CG2 3.52Å; K106-I109 WeakPolarHBondContact O-CB 3.47Å; K106-I109 WeakPolarHBondContact O-CD1 3.38Å; K106-I109 VanDerWaalsContact O-CG1 3.3Å; K106-I109 WeakPolarHBondContact O-CG1 3.46Å; K106-I109 PolarHBondContact O-N 2.8Å; A107-I109 PolarHBondContact O-N 3.22Å; A107-I109 VanDerWaalsContact O-N 3.07Å; I109-L111 PolarHBondContact O-N 3.02Å; I109-K112 VanDerWaalsContact O-CB 3.32Å; I109-K112 WeakPolarHBondContact O-CB 3.45Å; I109-K112 PolarHBondContact O-N 2.8Å
110H98.5Very high97.7Very high0 Ų046.1 Ų46.10%025%0.247CC..Hα-helixtrans-62.5-24.6177.8-65.7-50.7000114.2N7 P81 W86 V94 E96 A107 S108 K112 G113 A115 V118N7-H110 PolarHBondContact ND2-CE1 2.98Å; N7-H110 PolarHBondContact ND2-NE2 2.82Å; P81-H110 WeakPolarHBondContact CB-CE1 3.25Å; W86-H110 AromaticContact NE1-CG 3.67Å; W86-H110 AromaticContact NE1-ND1 3.17Å; W86-H110 PolarHBondContact NE1-ND1 3.31Å; W86-H110 VanDerWaalsContact NE1-ND1 3.17Å; V94-H110 HydrophobicContact CB-CB 4.42Å; V94-H110 HydrophobicContact CG1-CB 4.45Å; V94-H110 HydrophobicContact CG2-CB 4.25Å; E96-H110 IonicContact OE2-CE1 3.98Å; E96-H110 IonicContact OE2-NE2 3.42Å; E96-H110 PolarHBondContact OE2-NE2 3.01Å; E96-H110 VanDerWaalsContact OE2-NE2 3.08Å; A107-H110 PolarHBondContact O-CD2 2.97Å; A107-H110 PolarHBondContact O-N 3.11Å; S108-H110 PolarHBondContact O-N 2.9Å; H110-K112 PolarHBondContact O-N 3.11Å; H110-G113 PolarHBondContact O-N 3Å; H110-G113 VanDerWaalsContact O-N 3.08Å; H110-A115 PolarHBondContact O-N 2.98Å; H110-V118 HydrophobicContact CB-CG2 3.95Å
111L97.9Very high97.9Very high52 Ų5242.8 Ų42.827%0.27223%0.227SC..Hα-helixtrans-65.5-31.1176.9-54.3177.3000111.1S108 I109 G113 G114 A115 V118 K144S108-L111 VanDerWaalsContact O-CB 3.27Å; S108-L111 WeakPolarHBondContact O-CB 3.49Å; S108-L111 WeakPolarHBondContact O-CG 3.31Å; S108-L111 PolarHBondContact O-N 3.22Å; I109-L111 PolarHBondContact O-N 3.02Å; L111-G113 PolarHBondContact O-N 3.4Å; L111-G114 PolarHBondContact O-N 2.65Å; L111-G114 VanDerWaalsContact O-N 3.14Å; L111-A115 WeakPolarHBondContact CA-O 3.36Å; L111-A115 VanDerWaalsContact CD2-O 3.31Å; L111-A115 WeakPolarHBondContact CD2-O 3.38Å; L111-V118 HydrophobicContact CD2-CG2 3.98Å; L111-V118 HydrophobicContact CG-CG2 4.43Å; L111-K144 HydrophobicContact CD1-CB 4.1Å
112K95.8Very high97.9Very high171 Ų17142 Ų4274%0.74323%0.228SC*.Hα-helixtrans-64.9-30.5173.7-58.3-179.7178.71780112.1I109 H110 G114I109-K112 VanDerWaalsContact O-CB 3.32Å; I109-K112 WeakPolarHBondContact O-CB 3.45Å; I109-K112 PolarHBondContact O-N 2.8Å; H110-K112 PolarHBondContact O-N 3.11Å; K112-G114 PolarHBondContact O-N 3.25Å
113G94.8Very high97.8Very high13 Ų1343.2 Ų43.213%0.13424%0.237CC..THydrogen-bonded Turntrans-74.3-5.4175.900000114.4I84 W86 G87 H110 L111I84-G113 VanDerWaalsContact O-CA 3.26Å; I84-G113 WeakPolarHBondContact O-CA 3.3Å; W86-G113 WeakPolarHBondContact CA-O 3.39Å; W86-G113 WeakPolarHBondContact CB-O 3.42Å; W86-G113 PolarHBondContact N-O 3.4Å; G87-G113 PolarHBondContact N-O 3.38Å; H110-G113 PolarHBondContact O-N 3Å; H110-G113 VanDerWaalsContact O-N 3.08Å; L111-G113 PolarHBondContact O-N 3.4Å
114G96.3Very high97.8Very high41 Ų4141.9 Ų41.942%0.42323%0.229SC..THydrogen-bonded Turntrans1041.9178.400000115.3L111 K112L111-G114 PolarHBondContact O-N 2.65Å; L111-G114 VanDerWaalsContact O-N 3.14Å; K112-G114 PolarHBondContact O-N 3.25Å
115A97.9Very high97.6Very high7 Ų743.1 Ų43.16%0.05825%0.247CC..  trans-69.9147171.500000111.1W86 V94 H110 L111W86-A115 HydrophobicContact CB-CB 4.38Å; W86-A115 HydrophobicContact CG-CB 4.44Å; V94-A115 HydrophobicContact CG2-CB 3.53Å; H110-A115 PolarHBondContact O-N 2.98Å; L111-A115 WeakPolarHBondContact CA-O 3.36Å; L111-A115 VanDerWaalsContact CD2-O 3.31Å; L111-A115 WeakPolarHBondContact CD2-O 3.38Å
116K97.8Very high97.6Very high120 Ų12040.5 Ų40.552%0.52223%0.234SC..SBendtrans-90.1-31.8178.5-62.1173-179.6161.10112.6D92 K144D92-K116 HydrophobicContact CB-CD 4.41Å; D92-K116 WeakPolarHBondContact O-CA 3.45Å; D92-K116 WeakPolarHBondContact O-CB 3.2Å; D92-K116 PolarHBondContact O-N 3.42Å; D92-K116 WeakPolarHBondContact OD1-CE 3.43Å; D92-K116 IonicContact OD1-NZ 2.76Å; D92-K116 PolarHBondContact OD1-NZ 2.84Å; K116-K144 WeakPolarHBondContact O-CD 3.42Å
117R98.5Very high97.6Very high4 Ų436 Ų362%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-142157.6-176.9-57.9-67.9-177.5-168.5-10.6111.5D92 Y93 V94 Y139 K141 M143 K144 M330 E334D92-R117 PolarHBondContact O-N 3.24Å; Y93-R117 WeakPolarHBondContact CA-O 3.26Å; Y93-R117 HydrophobicContact CD1-CB 3.5Å; Y93-R117 HydrophobicContact CD1-CG 3.98Å; Y93-R117 HydrophobicContact CD2-CB 4.22Å; Y93-R117 HydrophobicContact CD2-CG 4.26Å; Y93-R117 HydrophobicContact CE1-CB 3.58Å; Y93-R117 HydrophobicContact CE1-CG 3.53Å; Y93-R117 HydrophobicContact CE2-CB 4.24Å; Y93-R117 HydrophobicContact CE2-CG 3.8Å; Y93-R117 HydrophobicContact CG-CB 3.84Å; Y93-R117 HydrophobicContact CG-CG 4.32Å; Y93-R117 VanDerWaalsContact CZ-CG 3.42Å; V94-R117 PolarHBondContact N-O 3.42Å; R117-Y139 PolarHBondContact NE-OH 2.81Å; R117-K141 PolarHBondContact NH1-O 2.89Å; R117-K141 PolarHBondContact NH2-O 3.03Å; R117-M143 VanDerWaalsContact NH1-C 3.31Å; R117-M143 PolarHBondContact NH1-O 3.12Å; R117-K144 CarbonylContact C-O 3.57Å; R117-K144 VanDerWaalsContact CA-O 3.27Å; R117-K144 WeakPolarHBondContact CA-O 3.37Å; R117-K144 VanDerWaalsContact CZ-NZ 3.31Å; R117-K144 VanDerWaalsContact NH1-CE 3.25Å; R117-M330 HydrophobicContact CB-CE 4.28Å; R117-M330 HydrophobicContact CG-CE 4.36Å; R117-E334 IonicContact CZ-OE1 3.62Å; R117-E334 IonicContact CZ-OE2 2.87Å; R117-E334 IonicContact NE-OE1 2.7Å; R117-E334 PolarHBondContact NE-OE1 2.94Å; R117-E334 IonicContact NH2-OE1 2.8Å; R117-E334 PolarHBondContact NH2-OE1 3.49Å; R117-E334 IonicContact NH2-OE2 2.68Å; R117-E334 PolarHBondContact NH2-OE2 2.67Å
118V98.8Very high97.6Very high0 Ų038.2 Ų38.20%023%0.229CC..EExtended strand (participates in β ladder)trans-131.6132.7172.5-170.50000110.3V94 E96 A107 H110 L111 K144 V145 V146V94-V118 HydrophobicContact CB-CG1 4.47Å; V94-V118 HydrophobicContact CB-CG2 4.46Å; V94-V118 CarbonylContact O-C 3.54Å; V94-V118 WeakPolarHBondContact O-CA 3.34Å; E96-V118 HydrophobicContact CB-CG1 3.9Å; A107-V118 HydrophobicContact CB-CG1 4.01Å; H110-V118 HydrophobicContact CB-CG2 3.95Å; L111-V118 HydrophobicContact CD2-CG2 3.98Å; L111-V118 HydrophobicContact CG-CG2 4.43Å; V118-K144 PolarHBondContact N-O 2.85Å; V118-V145 HydrophobicContact CB-CG1 4.37Å; V118-V145 HydrophobicContact CB-CG2 4.2Å; V118-V145 HydrophobicContact CG2-CG2 4.39Å; V118-V145 WeakPolarHBondContact O-CA 3.2Å; V118-V146 PolarHBondContact O-N 3Å
119V98.9Very high97.6Very high0 Ų037.3 Ų37.30%022%0.222CC..EExtended strand (participates in β ladder)trans-113.1110.6171.8-179.20000108.5V94 V95 E96 V146 N148 V323 L326 V327 M330V94-V119 PolarHBondContact O-N 3.11Å; V95-V119 WeakPolarHBondContact CA-O 3.16Å; E96-V119 PolarHBondContact N-O 3.24Å; V119-V146 WeakPolarHBondContact CA-O 3.44Å; V119-V146 HydrophobicContact CB-CG2 4.49Å; V119-V146 HydrophobicContact CG2-CG2 3.93Å; V119-N148 HydrophobicContact CG1-CB 4.27Å; V119-V323 HydrophobicContact CG1-CG1 4.31Å; V119-L326 HydrophobicContact CG1-CD2 3.91Å; V119-V327 HydrophobicContact CB-CG2 4.32Å; V119-V327 HydrophobicContact CG2-CG2 3.71Å; V119-M330 HydrophobicContact CG2-CE 4.25Å; V119-M330 HydrophobicContact CG2-SD 3.69Å
120I98.9Very high97.6Very high1 Ų135.7 Ų35.71%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-77124176.3-56.9168.6000108.5T102 A107 A122 A127 V145 V146 S147 N148T102-I120 HydrophobicContact CG2-CG2 4.22Å; A107-I120 HydrophobicContact CB-CD1 3.88Å; A107-I120 HydrophobicContact CB-CG1 3.95Å; I120-A122 HydrophobicContact CG2-CB 4.32Å; I120-A122 WeakPolarHBondContact CG2-O 3.5Å; I120-A122 PolarHBondContact O-N 2.91Å; I120-A122 VanDerWaalsContact O-N 3.11Å; I120-A127 HydrophobicContact CD1-CB 4.1Å; I120-V145 HydrophobicContact CD1-CG1 3.75Å; I120-V145 HydrophobicContact CG1-CG1 4.16Å; I120-V146 PolarHBondContact N-O 2.82Å; I120-S147 WeakPolarHBondContact O-CA 3.41Å; I120-N148 PolarHBondContact O-N 3.19Å
121S98.6Very high97.6Very high16 Ų1635.7 Ų35.711%0.11221%0.213CC..SBendtrans-86.135.8-179.289.60000112.8E96 S97 Y319E96-S121 PolarHBondContact O-N 2.85Å; E96-S121 PolarHBondContact O-OG 3.19Å; S97-S121 VanDerWaalsContact CA-OG 3.24Å; S97-S121 WeakPolarHBondContact CA-OG 3.45Å; S97-S121 WeakPolarHBondContact CB-OG 3.48Å; S121-Y319 VanDerWaalsContact CA-OH 3.27Å; S121-Y319 WeakPolarHBondContact CA-OH 3.46Å; S121-Y319 PolarHBondContact O-OH 3.31Å; S121-Y319 VanDerWaalsContact O-OH 3.12Å
122A97.8Very high97.7Very high24 Ų2434.2 Ų34.220%0.19821%0.205CC..SBendtrans-159.1162.3178.900000109.7T102 I120 S124 S147 A149 Y319T102-A122 HydrophobicContact CG2-CB 4.14Å; I120-A122 HydrophobicContact CG2-CB 4.32Å; I120-A122 WeakPolarHBondContact CG2-O 3.5Å; I120-A122 PolarHBondContact O-N 2.91Å; I120-A122 VanDerWaalsContact O-N 3.11Å; A122-S124 PolarHBondContact O-N 3.42Å; A122-S147 PolarHBondContact O-OG 2.81Å; A122-A149 CarbonylContact C-O 3.53Å; A122-A149 WeakPolarHBondContact CA-O 3.14Å; A122-Y319 PolarHBondContact N-OH 2.77Å
123P95.8Very high97.8Very high63 Ų6326.8 Ų26.841%0.40918%0.177SC..  trans-55138.6169-2535.1000111.7M129 A149P123-M129 HydrophobicContact CB-SD 4.13Å; P123-A149 WeakPolarHBondContact CD-O 3.34Å
124S97.3Very high98Very high6 Ų627.1 Ų27.14%0.04218%0.176CC..  trans-108.9147.3174.1-174.70000111T102 A122 D126 A127T102-S124 WeakPolarHBondContact O-CA 3.49Å; T102-S124 WeakPolarHBondContact O-CB 3.29Å; T102-S124 PolarHBondContact O-OG 2.85Å; A122-S124 PolarHBondContact O-N 3.42Å; S124-D126 VanDerWaalsContact C-N 3.34Å; S124-D126 PolarHBondContact OG-N 3.44Å; S124-D126 PolarHBondContact OG-OD1 3.06Å; S124-A127 VanDerWaalsContact OG-CB 3.26Å; S124-A127 WeakPolarHBondContact OG-CB 3.49Å; S124-A127 PolarHBondContact OG-N 3.09Å
125A95.3Very high98.1Very high84 Ų8425.4 Ų25.469%0.69416%0.158SC*.SBendtrans-70.2-35.6174.300000111.5
126D97.4Very high98.1Very high75 Ų7527.2 Ų27.240%0.40117%0.165SC..SBendtrans-127.4-25.3-167.556.4-3.6000113.9T103 I104 S124T103-D126 WeakPolarHBondContact CA-OD1 3.16Å; T103-D126 WeakPolarHBondContact CB-OD2 3.26Å; I104-D126 HydrophobicContact CD1-CB 4.3Å; I104-D126 WeakPolarHBondContact CD1-O 3.29Å; I104-D126 HydrophobicContact CG1-CB 4.42Å; I104-D126 PolarHBondContact N-OD1 2.73Å; I104-D126 PolarHBondContact N-OD2 3.22Å; I104-D126 VanDerWaalsContact N-OD2 3.14Å; S124-D126 VanDerWaalsContact C-N 3.34Å; S124-D126 PolarHBondContact OG-N 3.44Å; S124-D126 PolarHBondContact OG-OD1 3.06Å
127A98.3Very high98.1Very high6 Ų627 Ų275%0.0517%0.17CC..SBendtrans-74.7141.1177.600000112.2I104 I120 S124 M129 V145I104-A127 HydrophobicContact CD1-CB 4.42Å; I104-A127 HydrophobicContact CG1-CB 3.74Å; I120-A127 HydrophobicContact CD1-CB 4.1Å; S124-A127 VanDerWaalsContact OG-CB 3.26Å; S124-A127 WeakPolarHBondContact OG-CB 3.49Å; S124-A127 PolarHBondContact OG-N 3.09Å; A127-M129 PolarHBondContact O-N 2.91Å; A127-V145 HydrophobicContact CB-CG1 4.34Å
128P98.1Very high98.1Very high45 Ų4532 Ų3229%0.29219%0.191SC..PPolyproline II helixtrans-60.2132.7174.625.9-34.1000110.4F130 M143 V146 S147P128-F130 HydrophobicContact CB-CE2 3.95Å; P128-F130 HydrophobicContact CB-CZ 4.19Å; P128-F130 HydrophobicContact CG-CE2 4.18Å; P128-M143 HydrophobicContact CB-SD 4.13Å; P128-M143 HydrophobicContact CG-CG 4.39Å; P128-M143 HydrophobicContact CG-SD 3.79Å; P128-V146 HydrophobicContact CG-CG1 4.15Å; P128-S147 PolarHBondContact O-N 3.1Å
129M98.6Very high98.1Very high17 Ų1732.7 Ų32.78%0.08419%0.194CC..BIsolated β-bridgetrans-99.7137.5-178.6-74.3-170.1-68.600111.4P123 A127 N135 S147 A149 A215 K218 V219P123-M129 HydrophobicContact CB-SD 4.13Å; A127-M129 PolarHBondContact O-N 2.91Å; M129-N135 PolarHBondContact O-ND2 2.89Å; M129-S147 CarbonylContact C-O 3.53Å; M129-S147 WeakPolarHBondContact CA-O 3.4Å; M129-A149 HydrophobicContact CB-CB 4.34Å; M129-A149 HydrophobicContact CG-CB 4.44Å; M129-A149 HydrophobicContact SD-CB 4Å; M129-A215 HydrophobicContact CE-CB 3.88Å; M129-K218 HydrophobicContact CE-CB 4.22Å; M129-K218 HydrophobicContact CE-CD 3.25Å; M129-K218 HydrophobicContact CE-CG 4.33Å; M129-V219 HydrophobicContact CB-CG1 4.31Å
130F98.9Very high98Very high5 Ų536.3 Ų36.32%0.02221%0.214CC..  trans-124.5142177.4-63.3-76.6000111.1P128 N135 K138 Y139 M143 V146 S147 N148 L326P128-F130 HydrophobicContact CB-CE2 3.95Å; P128-F130 HydrophobicContact CB-CZ 4.19Å; P128-F130 HydrophobicContact CG-CE2 4.18Å; F130-N135 WeakPolarHBondContact CA-OD1 3.22Å; F130-N135 WeakPolarHBondContact CD1-O 3.27Å; F130-K138 HydrophobicContact CE1-CB 4.21Å; F130-Y139 HydrophobicContact CE2-CD2 4.16Å; F130-Y139 HydrophobicContact CZ-CD2 4.24Å; F130-M143 HydrophobicContact CE2-SD 4.02Å; F130-M143 HydrophobicContact CZ-CE 4.47Å; F130-M143 HydrophobicContact CZ-SD 3.62Å; F130-V146 HydrophobicContact CD2-CB 3.91Å; F130-V146 HydrophobicContact CD2-CG1 4.21Å; F130-V146 HydrophobicContact CD2-CG2 4.42Å; F130-V146 HydrophobicContact CE2-CB 3.9Å; F130-V146 HydrophobicContact CE2-CG1 3.72Å; F130-S147 PolarHBondContact N-O 3.43Å; F130-N148 CarbonylContact O-C 3.56Å; F130-L326 HydrophobicContact CB-CD1 3.84Å; F130-L326 HydrophobicContact CB-CD2 4.21Å; F130-L326 HydrophobicContact CG-CD1 4.34Å
131V98.9Very high97.8Very high0 Ų041.8 Ų41.80%024%0.237CC..  trans-127.1121169.1174.60000107.3G133 V134 N135 Q136 A149 T153 A157 P158 V219V131-G133 PolarHBondContact O-N 2.98Å; V131-V134 HydrophobicContact CB-CB 4.11Å; V131-V134 HydrophobicContact CB-CG2 4.21Å; V131-V134 HydrophobicContact CG1-CB 4.16Å; V131-V134 HydrophobicContact CG1-CG2 3.71Å; V131-V134 PolarHBondContact O-N 2.92Å; V131-N135 PolarHBondContact N-OD1 3.07Å; V131-N135 PolarHBondContact O-N 3.17Å; V131-N135 PolarHBondContact O-OD1 3.01Å; V131-Q136 PolarHBondContact O-OE1 3.02Å; V131-A149 HydrophobicContact CG2-CB 4.11Å; V131-T153 HydrophobicContact CG2-CG2 4.1Å; V131-A157 HydrophobicContact CG1-CB 4.27Å; V131-A157 HydrophobicContact CG2-CB 4.48Å; V131-P158 HydrophobicContact CG1-CG 4.31Å; V131-V219 HydrophobicContact CG2-CG1 4.22Å; V131-V219 HydrophobicContact CG2-CG2 4.36Å
132M98.8Very high97.7Very high20 Ų2045.1 Ų45.110%0.09926%0.261CS..THydrogen-bonded Turntrans-61.9135.3178.3-61.2-55.9-67.300110.7V134 Q136 I272 D325 L326 H329M132-V134 VanDerWaalsContact C-N 3.31Å; M132-Q136 HydrophobicContact CE-CB 4.13Å; M132-Q136 HydrophobicContact CE-CG 3.95Å; M132-Q136 HydrophobicContact SD-CB 3.68Å; M132-Q136 HydrophobicContact SD-CG 4.16Å; M132-I272 HydrophobicContact CB-CD1 4.08Å; M132-I272 WeakPolarHBondContact O-CG2 3.47Å; M132-D325 HydrophobicContact CE-CB 4.24Å; M132-D325 HydrophobicContact CG-CB 4.05Å; M132-L326 HydrophobicContact CG-CB 4.41Å; M132-L326 HydrophobicContact SD-CB 4.01Å; M132-L326 HydrophobicContact SD-CD1 3.94Å; M132-H329 HydrophobicContact CE-CB 3.79Å; M132-H329 HydrophobicContact SD-CB 4.46Å
133G98.5Very high97.8Very high16 Ų1646.6 Ų46.617%0.16526%0.264CS..THydrogen-bonded Turntrans85.2-4.7-172.200000114.4V131 Q136 L269V131-G133 PolarHBondContact O-N 2.98Å; G133-Q136 VanDerWaalsContact N-CD 3.32Å; G133-L269 VanDerWaalsContact O-CD2 3.24Å; G133-L269 WeakPolarHBondContact O-CD2 3.42Å
134V98.8Very high97.9Very high19 Ų1948.2 Ų48.212%0.11526%0.264CS..THydrogen-bonded Turntrans-120.4-57.8-174.8-177.80000112.3V131 M132 A157 P158 K161 V219 I220V131-V134 HydrophobicContact CB-CB 4.11Å; V131-V134 HydrophobicContact CB-CG2 4.21Å; V131-V134 HydrophobicContact CG1-CB 4.16Å; V131-V134 HydrophobicContact CG1-CG2 3.71Å; V131-V134 PolarHBondContact O-N 2.92Å; M132-V134 VanDerWaalsContact C-N 3.31Å; V134-A157 HydrophobicContact CG1-CB 4.46Å; V134-A157 HydrophobicContact CG2-CB 4.08Å; V134-P158 HydrophobicContact CG2-CB 4.42Å; V134-P158 HydrophobicContact CG2-CG 4.01Å; V134-K161 HydrophobicContact CG1-CD 4.4Å; V134-V219 HydrophobicContact CG1-CB 4.37Å; V134-V219 HydrophobicContact CG1-CG2 4.27Å; V134-I220 HydrophobicContact CG1-CD1 3.86Å; V134-I220 HydrophobicContact CG1-CG1 3.44Å; V134-I220 VanDerWaalsContact CG1-CG1 3.44Å
135N98.8Very high98Very high6 Ų648.3 Ų48.33%0.03227%0.265CS..THydrogen-bonded Turntrans-142.515.3-172.877.9-40.1000114.5M129 F130 V131 D137 K138 V219M129-N135 PolarHBondContact O-ND2 2.89Å; F130-N135 WeakPolarHBondContact CA-OD1 3.22Å; F130-N135 WeakPolarHBondContact CD1-O 3.27Å; V131-N135 PolarHBondContact N-OD1 3.07Å; V131-N135 PolarHBondContact O-N 3.17Å; V131-N135 PolarHBondContact O-OD1 3.01Å; N135-D137 WeakPolarHBondContact CA-OD1 3.5Å; N135-D137 PolarHBondContact O-N 2.87Å; N135-K138 HydrophobicContact CB-CD 4.19Å; N135-K138 HydrophobicContact CB-CG 4.49Å; N135-K138 WeakPolarHBondContact O-CB 3.36Å; N135-K138 PolarHBondContact O-N 2.53Å; N135-V219 HydrophobicContact CB-CB 4.39Å; N135-V219 WeakPolarHBondContact CB-O 3.45Å
136Q98.4Very high98.1Very high44 Ų4444.3 Ų44.321%0.20623%0.232CC..G310 helixtrans-60.6-25.1-179.370.4-79.12.700113.1V131 M132 G133 K138 Y139 H329V131-Q136 PolarHBondContact O-OE1 3.02Å; M132-Q136 HydrophobicContact CE-CB 4.13Å; M132-Q136 HydrophobicContact CE-CG 3.95Å; M132-Q136 HydrophobicContact SD-CB 3.68Å; M132-Q136 HydrophobicContact SD-CG 4.16Å; G133-Q136 VanDerWaalsContact N-CD 3.32Å; Q136-K138 PolarHBondContact O-N 3.32Å; Q136-Y139 VanDerWaalsContact O-CB 3.25Å; Q136-Y139 WeakPolarHBondContact O-CB 3.36Å; Q136-Y139 PolarHBondContact O-N 2.84Å; Q136-Y139 VanDerWaalsContact O-N 3.13Å; Q136-H329 PolarHBondContact O-NE2 3.31Å
137D97.7Very high98.2Very high116 Ų11640.7 Ų40.762%0.6221%0.213SC*.G310 helixtrans-63.1-23.317463.4-39.2000113.3N135 Y139N135-D137 WeakPolarHBondContact CA-OD1 3.5Å; N135-D137 PolarHBondContact O-N 2.87Å; D137-Y139 PolarHBondContact O-N 3.08Å
138K98.2Very high98.2Very high108 Ų10840.4 Ų40.447%0.4721%0.21SC..G310 helixtrans-78.8-3.5174.8-56.5-175.6-175.9172.30113.7F130 N135 Q136 D140F130-K138 HydrophobicContact CE1-CB 4.21Å; N135-K138 HydrophobicContact CB-CD 4.19Å; N135-K138 HydrophobicContact CB-CG 4.49Å; N135-K138 WeakPolarHBondContact O-CB 3.36Å; N135-K138 PolarHBondContact O-N 2.53Å; Q136-K138 PolarHBondContact O-N 3.32Å; K138-D140 PolarHBondContact O-N 2.72Å
139Y98.3Very high98.2Very high16 Ų1638.3 Ų38.36%0.06320%0.196CC..  trans-64.2131.3173.8172.4-104.7000110R117 F130 Q136 D137 M143 V146 M330 K333R117-Y139 PolarHBondContact NE-OH 2.81Å; F130-Y139 HydrophobicContact CE2-CD2 4.16Å; F130-Y139 HydrophobicContact CZ-CD2 4.24Å; Q136-Y139 VanDerWaalsContact O-CB 3.25Å; Q136-Y139 WeakPolarHBondContact O-CB 3.36Å; Q136-Y139 PolarHBondContact O-N 2.84Å; Q136-Y139 VanDerWaalsContact O-N 3.13Å; D137-Y139 PolarHBondContact O-N 3.08Å; Y139-M143 HydrophobicContact CD2-CB 4.45Å; Y139-M143 HydrophobicContact CD2-SD 4.42Å; Y139-M143 HydrophobicContact CE2-CB 4.04Å; Y139-V146 HydrophobicContact CD2-CG1 4.22Å; Y139-V146 HydrophobicContact CE2-CG1 4.06Å; Y139-M330 HydrophobicContact CD1-CB 4.32Å; Y139-M330 HydrophobicContact CD1-CG 4.04Å; Y139-M330 HydrophobicContact CD2-CE 4.38Å; Y139-M330 HydrophobicContact CD2-CG 3.93Å; Y139-M330 HydrophobicContact CE1-CB 3.79Å; Y139-M330 HydrophobicContact CE1-CG 3.84Å; Y139-M330 HydrophobicContact CE2-CB 4.4Å; Y139-M330 HydrophobicContact CE2-CE 3.52Å; Y139-M330 HydrophobicContact CE2-CG 3.75Å; Y139-M330 HydrophobicContact CE2-SD 4.28Å; Y139-M330 HydrophobicContact CG-CG 4.08Å; Y139-K333 HydrophobicContact CD1-CB 4.26Å; Y139-K333 HydrophobicContact CD1-CG 4.23Å; Y139-K333 HydrophobicContact CE1-CB 4.15Å
140D96.3Very high98.2Very high76 Ų7638.3 Ų38.341%0.40620%0.198SC..  trans-120.6144.1172.5178.2-103.7000110.9K138 S142 M143K138-D140 PolarHBondContact O-N 2.72Å; D140-S142 PolarHBondContact O-N 3.35Å; D140-S142 VanDerWaalsContact O-N 3.09Å; D140-S142 WeakPolarHBondContact OD1-CA 3.28Å; D140-S142 WeakPolarHBondContact OD1-CB 3.24Å; D140-S142 PolarHBondContact OD1-N 3.1Å; D140-S142 PolarHBondContact OD1-OG 3.07Å; D140-M143 HydrophobicContact CB-CE 4.11Å; D140-M143 HydrophobicContact CB-CG 4.46Å; D140-M143 VanDerWaalsContact O-CB 3.25Å; D140-M143 WeakPolarHBondContact O-CB 3.44Å; D140-M143 WeakPolarHBondContact O-CG 3.33Å; D140-M143 PolarHBondContact O-N 3.21Å
141K95.8Very high98.2Very high116 Ų11639.3 Ų39.350%0.50421%0.205SC..THydrogen-bonded Turntrans-68.8-5.2-178.671.6177.6-179.8-177.80113.8R117 M143R117-K141 PolarHBondContact NH1-O 2.89Å; R117-K141 PolarHBondContact NH2-O 3.03Å; K141-M143 VanDerWaalsContact C-N 3.29Å
142S96.9Very high98.2Very high86 Ų8639.6 Ų39.660%0.60121%0.207SC*.THydrogen-bonded Turntrans-73.7-23.4165.467.10000112D140 K144D140-S142 PolarHBondContact O-N 3.35Å; D140-S142 VanDerWaalsContact O-N 3.09Å; D140-S142 WeakPolarHBondContact OD1-CA 3.28Å; D140-S142 WeakPolarHBondContact OD1-CB 3.24Å; D140-S142 PolarHBondContact OD1-N 3.1Å; D140-S142 PolarHBondContact OD1-OG 3.07Å; S142-K144 PolarHBondContact O-N 3.03Å; S142-K144 VanDerWaalsContact O-N 3.08Å
143M98.2Very high98.2Very high55 Ų5538.6 Ų38.627%0.27120%0.202SC..  trans-74.7101.2-178.3-55.3-179.9-174.200110.4R117 P128 F130 Y139 D140 K141 V146R117-M143 VanDerWaalsContact NH1-C 3.31Å; R117-M143 PolarHBondContact NH1-O 3.12Å; P128-M143 HydrophobicContact CB-SD 4.13Å; P128-M143 HydrophobicContact CG-CG 4.39Å; P128-M143 HydrophobicContact CG-SD 3.79Å; F130-M143 HydrophobicContact CE2-SD 4.02Å; F130-M143 HydrophobicContact CZ-CE 4.47Å; F130-M143 HydrophobicContact CZ-SD 3.62Å; Y139-M143 HydrophobicContact CD2-CB 4.45Å; Y139-M143 HydrophobicContact CD2-SD 4.42Å; Y139-M143 HydrophobicContact CE2-CB 4.04Å; D140-M143 HydrophobicContact CB-CE 4.11Å; D140-M143 HydrophobicContact CB-CG 4.46Å; D140-M143 VanDerWaalsContact O-CB 3.25Å; D140-M143 WeakPolarHBondContact O-CB 3.44Å; D140-M143 WeakPolarHBondContact O-CG 3.33Å; D140-M143 PolarHBondContact O-N 3.21Å; K141-M143 VanDerWaalsContact C-N 3.29Å; M143-V146 HydrophobicContact CB-CG1 3.88Å
144K98.3Very high98.2Very high96 Ų9638 Ų3842%0.41720%0.195SC..  trans-81.7-31.2-178.7-63.6-74.3163.4-167.40112.9L111 K116 R117 V118 S142L111-K144 HydrophobicContact CD1-CB 4.1Å; K116-K144 WeakPolarHBondContact O-CD 3.42Å; R117-K144 CarbonylContact C-O 3.57Å; R117-K144 VanDerWaalsContact CA-O 3.27Å; R117-K144 WeakPolarHBondContact CA-O 3.37Å; R117-K144 VanDerWaalsContact CZ-NZ 3.31Å; R117-K144 VanDerWaalsContact NH1-CE 3.25Å; V118-K144 PolarHBondContact N-O 2.85Å; S142-K144 PolarHBondContact O-N 3.03Å; S142-K144 VanDerWaalsContact O-N 3.08Å
145V98.8Very high98.2Very high8 Ų837 Ų375%0.04819%0.19CC..EExtended strand (participates in β ladder)trans-124125178.3-177.90000108.5A107 S108 V118 I120 A127A107-V145 HydrophobicContact CB-CG1 3.69Å; S108-V145 WeakPolarHBondContact OG-CG2 3.28Å; V118-V145 HydrophobicContact CB-CG1 4.37Å; V118-V145 HydrophobicContact CB-CG2 4.2Å; V118-V145 HydrophobicContact CG2-CG2 4.39Å; V118-V145 WeakPolarHBondContact O-CA 3.2Å; I120-V145 HydrophobicContact CD1-CG1 3.75Å; I120-V145 HydrophobicContact CG1-CG1 4.16Å; A127-V145 HydrophobicContact CB-CG1 4.34Å
146V98.8Very high98.3Very high0 Ų036.8 Ų36.80%019%0.188CC..EExtended strand (participates in β ladder)trans-133.5165.7178.8-53.30000110.2V118 V119 I120 P128 F130 Y139 M143 L326 M330V118-V146 PolarHBondContact O-N 3Å; V119-V146 WeakPolarHBondContact CA-O 3.44Å; V119-V146 HydrophobicContact CB-CG2 4.49Å; V119-V146 HydrophobicContact CG2-CG2 3.93Å; I120-V146 PolarHBondContact N-O 2.82Å; P128-V146 HydrophobicContact CG-CG1 4.15Å; F130-V146 HydrophobicContact CD2-CB 3.91Å; F130-V146 HydrophobicContact CD2-CG1 4.21Å; F130-V146 HydrophobicContact CD2-CG2 4.42Å; F130-V146 HydrophobicContact CE2-CB 3.9Å; F130-V146 HydrophobicContact CE2-CG1 3.72Å; Y139-V146 HydrophobicContact CD2-CG1 4.22Å; Y139-V146 HydrophobicContact CE2-CG1 4.06Å; M143-V146 HydrophobicContact CB-CG1 3.88Å; V146-L326 HydrophobicContact CG2-CD2 4.3Å; V146-M330 HydrophobicContact CG1-CE 4.14Å; V146-M330 HydrophobicContact CG2-CE 3.64Å; V146-M330 HydrophobicContact CG2-SD 3.64Å
147S98.8Very high98.3Very high0 Ų034.7 Ų34.70%018%0.178CC..EExtended strand (participates in β ladder)trans-120.7139.1175.9161.60000110.7I120 A122 P128 M129 F130 A149I120-S147 WeakPolarHBondContact O-CA 3.41Å; A122-S147 PolarHBondContact O-OG 2.81Å; P128-S147 PolarHBondContact O-N 3.1Å; M129-S147 CarbonylContact C-O 3.53Å; M129-S147 WeakPolarHBondContact CA-O 3.4Å; F130-S147 PolarHBondContact N-O 3.43Å; S147-A149 PolarHBondContact O-N 3.2Å; S147-A149 PolarHBondContact OG-N 3.29Å
148N98.8Very high98.3Very high0 Ų029.1 Ų29.10%015%0.149CC..  trans-84.122.2171.9-166.949.6000112.4V119 I120 F130 N154 Y319 V323 L326V119-N148 HydrophobicContact CG1-CB 4.27Å; I120-N148 PolarHBondContact O-N 3.19Å; F130-N148 CarbonylContact O-C 3.56Å; N148-N154 PolarHBondContact O-ND2 2.78Å; N148-Y319 HydrophobicContact CB-CE2 4.42Å; N148-Y319 WeakPolarHBondContact ND2-CE2 3.36Å; N148-Y319 VanDerWaalsContact O-CE2 3.32Å; N148-Y319 WeakPolarHBondContact O-CE2 3.27Å; N148-V323 HydrophobicContact CB-CG2 4.33Å; N148-L326 HydrophobicContact CB-CD2 3.86Å
149A98.6Very high98.4Very high0 Ų024 Ų240%013%0.126CC..  trans53.3-146.4-173.900000112.7A122 P123 M129 V131 S147 T153 Y319A122-A149 CarbonylContact C-O 3.53Å; A122-A149 WeakPolarHBondContact CA-O 3.14Å; P123-A149 WeakPolarHBondContact CD-O 3.34Å; M129-A149 HydrophobicContact CB-CB 4.34Å; M129-A149 HydrophobicContact CG-CB 4.44Å; M129-A149 HydrophobicContact SD-CB 4Å; V131-A149 HydrophobicContact CG2-CB 4.11Å; S147-A149 PolarHBondContact O-N 3.2Å; S147-A149 PolarHBondContact OG-N 3.29Å; A149-T153 HydrophobicContact CB-CG2 4.05Å; A149-Y319 PolarHBondContact O-OH 2.96Å
150S98.7Very high98.4Very high17 Ų1723.2 Ų23.212%0.11912%0.123CC..  trans-110.4164.9175.469.20000112T152 T153 N154S150-T152 VanDerWaalsContact C-N 3.35Å; S150-T152 PolarHBondContact O-N 2.91Å; S150-T153 PolarHBondContact O-N 3.12Å; S150-T153 WeakPolarHBondContact OG-CB 3.36Å; S150-T153 PolarHBondContact OG-N 2.96Å; S150-T153 PolarHBondContact OG-OG1 3.19Å; S150-N154 PolarHBondContact O-N 2.76Å; S150-N154 PolarHBondContact O-ND2 3.01Å
151C98.6Very high98.5Very high26 Ų2622.6 Ų22.618%0.17612%0.117CC..Hα-helixtrans-54.5-47.6169.452.40000112.1T153 N154 C155 H178 Y313 N315 Y319C151-T153 PolarHBondContact O-N 2.84Å; C151-N154 PolarHBondContact O-N 3.28Å; C151-C155 PolarHBondContact O-N 3.06Å; C151-H178 PolarHBondContact SG-NE2 2.59Å; C151-Y313 HydrophobicContact CB-CD2 4.19Å; C151-Y313 HydrophobicContact CB-CE2 3.84Å; C151-N315 HydrophobicContact CB-CB 3.97Å; C151-N315 WeakPolarHBondContact CB-O 3.4Å; C151-Y319 HydrophobicContact CB-CD2 4.15Å; C151-Y319 HydrophobicContact CB-CG 4.27Å
152T98.8Very high98.7Very high6 Ų617.4 Ų17.44%0.03710%0.095CC..Hα-helixtrans-64.1-39.2177.9-50.50000112.5S150 C155 L156 M174 T176 A212 V242 Y313S150-T152 VanDerWaalsContact C-N 3.35Å; S150-T152 PolarHBondContact O-N 2.91Å; T152-C155 PolarHBondContact O-N 3.13Å; T152-L156 WeakPolarHBondContact O-CB 3.49Å; T152-L156 PolarHBondContact O-N 2.87Å; T152-M174 HydrophobicContact CG2-CE 3.73Å; T152-M174 HydrophobicContact CG2-SD 4.03Å; T152-T176 HydrophobicContact CG2-CG2 3.91Å; T152-A212 HydrophobicContact CG2-CB 3.77Å; T152-V242 HydrophobicContact CG2-CG2 4.01Å; T152-Y313 PolarHBondContact OG1-OH 3.18Å
153T98.8Very high98.8Very high0 Ų013.3 Ų13.30%07%0.066CC..Hα-helixtrans-66.7-38.7175.6-54.10000111.2V131 A149 S150 C151 C155 L156 A157 A212 A215 V216V131-T153 HydrophobicContact CG2-CG2 4.1Å; A149-T153 HydrophobicContact CB-CG2 4.05Å; S150-T153 PolarHBondContact O-N 3.12Å; S150-T153 WeakPolarHBondContact OG-CB 3.36Å; S150-T153 PolarHBondContact OG-N 2.96Å; S150-T153 PolarHBondContact OG-OG1 3.19Å; C151-T153 PolarHBondContact O-N 2.84Å; T153-C155 VanDerWaalsContact C-N 3.27Å; T153-C155 PolarHBondContact O-N 3.48Å; T153-L156 PolarHBondContact O-N 3.37Å; T153-A157 WeakPolarHBondContact O-CB 3.4Å; T153-A157 PolarHBondContact O-N 3.38Å; T153-A212 WeakPolarHBondContact OG1-CA 3.35Å; T153-A212 PolarHBondContact OG1-O 2.72Å; T153-A212 VanDerWaalsContact OG1-O 3.05Å; T153-A215 HydrophobicContact CG2-CB 4.17Å; T153-V216 HydrophobicContact CG2-CG2 4.32Å
154N98.9Very high98.8Very high2 Ų211.4 Ų11.41%0.0116%0.057CC..Hα-helixtrans-64.8-30.9174.2-84.6-92.9000112.3N148 S150 C151 P158 S291N148-N154 PolarHBondContact O-ND2 2.78Å; S150-N154 PolarHBondContact O-N 2.76Å; S150-N154 PolarHBondContact O-ND2 3.01Å; C151-N154 PolarHBondContact O-N 3.28Å; N154-P158 WeakPolarHBondContact O-CD 3.39Å; N154-P158 VanDerWaalsContact O-CG 3.23Å; N154-P158 WeakPolarHBondContact O-CG 3.46Å; N154-S291 WeakPolarHBondContact O-CB 2.91Å
155C98.9Very high98.8Very high0 Ų011 Ų110%06%0.06CC..Hα-helixtrans-73.3-48.9172-178.80000112.4C151 T152 T153 V242 S291 S292 Y313C151-C155 PolarHBondContact O-N 3.06Å; T152-C155 PolarHBondContact O-N 3.13Å; T153-C155 VanDerWaalsContact C-N 3.27Å; T153-C155 PolarHBondContact O-N 3.48Å; C155-V242 HydrophobicContact CB-CG2 4.02Å; C155-S291 WeakPolarHBondContact CA-O 3.49Å; C155-S291 WeakPolarHBondContact CB-O 3.45Å; C155-S292 VanDerWaalsContact O-CB 3.23Å; C155-S292 WeakPolarHBondContact O-CB 3.48Å; C155-S292 PolarHBondContact O-OG 2.66Å; C155-Y313 HydrophobicContact CB-CD1 3.51Å; C155-Y313 HydrophobicContact CB-CD2 4.19Å; C155-Y313 HydrophobicContact CB-CE1 4.04Å; C155-Y313 HydrophobicContact CB-CG 3.6Å; C155-Y313 WeakPolarHBondContact SG-CD1 3.47Å
156L98.9Very high98.8Very high0 Ų013.8 Ų13.80%07%0.074CC..Hα-helixtrans-74.3-42.3-171.7176.762.2000112.9T152 T153 L159 A160 M174 A213 V216 V242 L244T152-L156 WeakPolarHBondContact O-CB 3.49Å; T152-L156 PolarHBondContact O-N 2.87Å; T153-L156 PolarHBondContact O-N 3.37Å; L156-L159 PolarHBondContact O-N 3.26Å; L156-A160 VanDerWaalsContact O-CB 3.3Å; L156-A160 WeakPolarHBondContact O-CB 3.28Å; L156-A160 PolarHBondContact O-N 3.46Å; L156-M174 HydrophobicContact CD2-CB 4.26Å; L156-M174 HydrophobicContact CD2-CE 4.24Å; L156-M174 HydrophobicContact CD2-CG 4.11Å; L156-A213 HydrophobicContact CD2-CB 3.92Å; L156-V216 HydrophobicContact CB-CG2 4.26Å; L156-V216 HydrophobicContact CD2-CG2 3.53Å; L156-V216 HydrophobicContact CG-CG2 3.76Å; L156-V242 HydrophobicContact CD1-CG1 4Å; L156-L244 HydrophobicContact CD1-CB 4.19Å; L156-L244 HydrophobicContact CD1-CD1 3.86Å; L156-L244 HydrophobicContact CD1-CD2 3.71Å; L156-L244 HydrophobicContact CD1-CG 4.12Å
157A98.9Very high98.8Very high0 Ų015 Ų150%08%0.079CC..Hα-helixtrans-65.1-42.6-170.100000114V131 V134 T153 L159 A160 K161 V216 V219 I220V131-A157 HydrophobicContact CG1-CB 4.27Å; V131-A157 HydrophobicContact CG2-CB 4.48Å; V134-A157 HydrophobicContact CG1-CB 4.46Å; V134-A157 HydrophobicContact CG2-CB 4.08Å; T153-A157 WeakPolarHBondContact O-CB 3.4Å; T153-A157 PolarHBondContact O-N 3.38Å; A157-L159 PolarHBondContact O-N 3.44Å; A157-A160 PolarHBondContact O-N 3.43Å; A157-K161 WeakPolarHBondContact O-CB 3.44Å; A157-K161 PolarHBondContact O-N 2.91Å; A157-V216 HydrophobicContact CB-CG1 4.36Å; A157-V216 HydrophobicContact CB-CG2 4.28Å; A157-V219 HydrophobicContact CB-CG2 3.96Å; A157-I220 HydrophobicContact CB-CD1 4.46Å; A157-I220 WeakPolarHBondContact O-CD1 3.17Å
158P98.9Very high98.8Very high0 Ų015.4 Ų15.40%08%0.083CC..Hα-helixtrans-61-43.1175.4-24.235.2000112.6V131 V134 N154 K161 V162 L269 I272V131-P158 HydrophobicContact CG1-CG 4.31Å; V134-P158 HydrophobicContact CG2-CB 4.42Å; V134-P158 HydrophobicContact CG2-CG 4.01Å; N154-P158 WeakPolarHBondContact O-CD 3.39Å; N154-P158 VanDerWaalsContact O-CG 3.23Å; N154-P158 WeakPolarHBondContact O-CG 3.46Å; P158-K161 PolarHBondContact O-N 3.44Å; P158-V162 WeakPolarHBondContact O-CG2 3.47Å; P158-V162 PolarHBondContact O-N 3.22Å; P158-L269 HydrophobicContact CB-CD1 4.21Å; P158-I272 HydrophobicContact CB-CG2 4.39Å; P158-I272 HydrophobicContact CG-CG2 4.01Å
159L98.9Very high98.8Very high0 Ų015.4 Ų15.40%08%0.083CC..Hα-helixtrans-64.4-49.5176.2178.762.6000111L156 A157 K161 V162 I163 V261 F294 L309L156-L159 PolarHBondContact O-N 3.26Å; A157-L159 PolarHBondContact O-N 3.44Å; L159-K161 VanDerWaalsContact C-N 3.26Å; L159-K161 PolarHBondContact O-N 2.98Å; L159-V162 PolarHBondContact O-N 3.37Å; L159-V162 VanDerWaalsContact O-N 3.16Å; L159-I163 HydrophobicContact CD1-CG1 4.18Å; L159-I163 HydrophobicContact CG-CG1 4.46Å; L159-I163 WeakPolarHBondContact O-CG1 3.35Å; L159-I163 PolarHBondContact O-N 2.95Å; L159-V261 HydrophobicContact CD1-CG1 4.41Å; L159-V261 HydrophobicContact CD1-CG2 4.06Å; L159-F294 HydrophobicContact CD1-CD2 3.96Å; L159-F294 HydrophobicContact CD2-CD2 4.41Å; L159-L309 HydrophobicContact CD2-CB 4.16Å
160A98.9Very high98.8Very high0 Ų018.5 Ų18.50%010%0.099CC..Hα-helixtrans-59.7-37.2179.100000112.2L156 A157 I163 N164 I169 V216 L223 L227L156-A160 VanDerWaalsContact O-CB 3.3Å; L156-A160 WeakPolarHBondContact O-CB 3.28Å; L156-A160 PolarHBondContact O-N 3.46Å; A157-A160 PolarHBondContact O-N 3.43Å; A160-I163 PolarHBondContact O-N 2.91Å; A160-N164 WeakPolarHBondContact O-CB 3.4Å; A160-N164 PolarHBondContact O-N 2.88Å; A160-I169 HydrophobicContact CB-CD1 4.26Å; A160-V216 HydrophobicContact CB-CG1 4.2Å; A160-L223 HydrophobicContact CB-CD1 4.03Å; A160-L227 HydrophobicContact CB-CD1 4.31Å
161K98.9Very high98.8Very high63 Ų6322.3 Ų22.327%0.27412%0.115SC..Hα-helixtrans-58.8-53.2173.3176.7168.3173.546.10111.1V134 A157 P158 L159 I163 N164 D165 I220V134-K161 HydrophobicContact CG1-CD 4.4Å; A157-K161 WeakPolarHBondContact O-CB 3.44Å; A157-K161 PolarHBondContact O-N 2.91Å; P158-K161 PolarHBondContact O-N 3.44Å; L159-K161 VanDerWaalsContact C-N 3.26Å; L159-K161 PolarHBondContact O-N 2.98Å; K161-I163 VanDerWaalsContact C-N 3.31Å; K161-I163 PolarHBondContact O-N 2.91Å; K161-N164 PolarHBondContact O-N 3.46Å; K161-D165 WeakPolarHBondContact CG-OD2 3.31Å; K161-D165 IonicContact NZ-OD1 3.61Å; K161-D165 IonicContact NZ-OD2 2.94Å; K161-D165 PolarHBondContact NZ-OD2 3.05Å; K161-D165 WeakPolarHBondContact O-CB 3.34Å; K161-D165 PolarHBondContact O-N 3.02Å; K161-I220 HydrophobicContact CB-CD1 3.78Å
162V98.9Very high98.8Very high7 Ų721.5 Ų21.54%0.04211%0.111CC..Hα-helixtrans-58.5-45.1-179.5174.20000111.2P158 L159 N166 V260 V261 A264 L269 L273P158-V162 WeakPolarHBondContact O-CG2 3.47Å; P158-V162 PolarHBondContact O-N 3.22Å; L159-V162 PolarHBondContact O-N 3.37Å; L159-V162 VanDerWaalsContact O-N 3.16Å; V162-N166 PolarHBondContact O-N 2.73Å; V162-N166 PolarHBondContact O-ND2 2.9Å; V162-V260 HydrophobicContact CG1-CG2 4.22Å; V162-V261 HydrophobicContact CG1-CG2 4.09Å; V162-A264 HydrophobicContact CB-CB 4.45Å; V162-A264 HydrophobicContact CG1-CB 4.08Å; V162-A264 HydrophobicContact CG2-CB 3.45Å; V162-A264 VanDerWaalsContact CG2-CB 3.45Å; V162-L269 HydrophobicContact CG2-CD1 3.63Å; V162-L273 HydrophobicContact CG2-CD2 3.94Å
163I98.9Very high98.8Very high0 Ų026.6 Ų26.60%014%0.137CC..Hα-helixtrans-67.6-43.5-179.5-59.8-59.3000111.4L159 A160 K161 Y167 G168 I169 L248 I257 V261 L309L159-I163 HydrophobicContact CD1-CG1 4.18Å; L159-I163 HydrophobicContact CG-CG1 4.46Å; L159-I163 WeakPolarHBondContact O-CG1 3.35Å; L159-I163 PolarHBondContact O-N 2.95Å; A160-I163 PolarHBondContact O-N 2.91Å; K161-I163 VanDerWaalsContact C-N 3.31Å; K161-I163 PolarHBondContact O-N 2.91Å; I163-Y167 PolarHBondContact O-N 3.22Å; I163-G168 PolarHBondContact O-N 2.87Å; I163-I169 HydrophobicContact CB-CD1 4.28Å; I163-I169 HydrophobicContact CG2-CD1 4.15Å; I163-I169 HydrophobicContact CG2-CG1 3.94Å; I163-L248 HydrophobicContact CG2-CD2 3.53Å; I163-I257 HydrophobicContact CD1-CG2 3.7Å; I163-V261 HydrophobicContact CD1-CG2 4.06Å; I163-L309 HydrophobicContact CD1-CD1 3.67Å; I163-L309 HydrophobicContact CG1-CD1 3.6Å
164N98.9Very high98.8Very high15 Ų1526.7 Ų26.78%0.0814%0.138CC..Hα-helixtrans-64.5-46.8178.5-17671.1000112.1A160 K161 N166 G168 I169 E222 L223A160-N164 WeakPolarHBondContact O-CB 3.4Å; A160-N164 PolarHBondContact O-N 2.88Å; K161-N164 PolarHBondContact O-N 3.46Å; N164-N166 PolarHBondContact O-N 2.8Å; N164-G168 VanDerWaalsContact O-CA 3.27Å; N164-G168 WeakPolarHBondContact O-CA 3.43Å; N164-G168 PolarHBondContact O-N 3.48Å; N164-I169 HydrophobicContact CB-CD1 4.15Å; N164-I169 HydrophobicContact CB-CG1 4.15Å; N164-I169 PolarHBondContact OD1-N 2.95Å; N164-I169 VanDerWaalsContact OD1-N 3.14Å; N164-E222 PolarHBondContact ND2-OE2 3.25Å; N164-E222 VanDerWaalsContact ND2-OE2 3.12Å; N164-L223 HydrophobicContact CB-CD1 4.32Å; N164-L223 HydrophobicContact CB-CD2 4.19Å; N164-L223 WeakPolarHBondContact OD1-CD2 3.48Å
165D98.8Very high98.8Very high87 Ų8728.2 Ų28.247%0.46515%0.149SC..Hα-helixtrans-61.3-33.5-177.3-67-5.1000111.9K161K161-D165 WeakPolarHBondContact CG-OD2 3.31Å; K161-D165 IonicContact NZ-OD1 3.61Å; K161-D165 IonicContact NZ-OD2 2.94Å; K161-D165 PolarHBondContact NZ-OD2 3.05Å; K161-D165 WeakPolarHBondContact O-CB 3.34Å; K161-D165 PolarHBondContact O-N 3.02Å
166N98.8Very high98.8Very high67 Ų6728.3 Ų28.336%0.35815%0.149SC..Hα-helixtrans-90.9-45-177.5-72.9-86.2000112.9V162 N164 V260V162-N166 PolarHBondContact O-N 2.73Å; V162-N166 PolarHBondContact O-ND2 2.9Å; N164-N166 PolarHBondContact O-N 2.8Å; N166-V260 HydrophobicContact CB-CG2 4.5Å
167Y98.8Very high98.8Very high26 Ų2631 Ų3110%0.10217%0.166CC..Hα-helixtrans-119.5-11.1-167.8-54.2-65.1000114.5I163 L248 E249 K250 A252 D256 I257 V260I163-Y167 PolarHBondContact O-N 3.22Å; Y167-L248 HydrophobicContact CG-CD1 4.47Å; Y167-E249 WeakPolarHBondContact O-CB 3.47Å; Y167-E249 PolarHBondContact O-N 2.78Å; Y167-K250 PolarHBondContact O-N 3.46Å; Y167-A252 HydrophobicContact CD1-CB 3.61Å; Y167-A252 HydrophobicContact CD2-CB 4.24Å; Y167-A252 HydrophobicContact CE1-CB 3.51Å; Y167-A252 HydrophobicContact CE2-CB 4.14Å; Y167-A252 HydrophobicContact CG-CB 3.98Å; Y167-D256 PolarHBondContact OH-O 3.44Å; Y167-I257 HydrophobicContact CD2-CG1 4.49Å; Y167-I257 HydrophobicContact CE2-CG1 3.92Å; Y167-I257 PolarHBondContact OH-N 2.93Å; Y167-V260 HydrophobicContact CE2-CG2 3.63Å
168G98.8Very high98.8Very high8 Ų831.3 Ų31.38%0.08217%0.167CC..  trans68.1127.3-172.300000111.8I163 N164 L248 E249I163-G168 PolarHBondContact O-N 2.87Å; N164-G168 VanDerWaalsContact O-CA 3.27Å; N164-G168 WeakPolarHBondContact O-CA 3.43Å; N164-G168 PolarHBondContact O-N 3.48Å; G168-L248 CarbonylContact O-C 3.52Å; G168-L248 WeakPolarHBondContact O-CA 3.33Å; G168-E249 PolarHBondContact O-N 3.01Å
169I98.9Very high98.8Very high0 Ų031.3 Ų31.30%017%0.167CC..EExtended strand (participates in β ladder)trans-95.3122.3170.4-62.3172.7000108.2A160 I163 N164 L223 K226 L227 V246A160-I169 HydrophobicContact CB-CD1 4.26Å; I163-I169 HydrophobicContact CB-CD1 4.28Å; I163-I169 HydrophobicContact CG2-CD1 4.15Å; I163-I169 HydrophobicContact CG2-CG1 3.94Å; N164-I169 HydrophobicContact CB-CD1 4.15Å; N164-I169 HydrophobicContact CB-CG1 4.15Å; N164-I169 PolarHBondContact OD1-N 2.95Å; N164-I169 VanDerWaalsContact OD1-N 3.14Å; I169-L223 HydrophobicContact CB-CD2 3.8Å; I169-L223 HydrophobicContact CD1-CD1 4.28Å; I169-L223 HydrophobicContact CD1-CD2 4.32Å; I169-L223 HydrophobicContact CG2-CD2 4.33Å; I169-K226 VanDerWaalsContact O-CD 3.28Å; I169-K226 WeakPolarHBondContact O-CD 3.31Å; I169-K226 PolarHBondContact O-NZ 3.46Å; I169-L227 HydrophobicContact CG2-CD2 4.22Å; I169-V246 HydrophobicContact CD1-CG1 4.44Å; I169-V246 HydrophobicContact CG2-CB 4.5Å; I169-V246 HydrophobicContact CG2-CG1 4.12Å
170I98.8Very high98.8Very high65 Ų6532.9 Ų32.933%0.33318%0.177SC..EExtended strand (participates in β ladder)trans-78-53.9172-63.3175.3000109K226 R247 E249I170-K226 WeakPolarHBondContact O-CD 3.45Å; I170-R247 HydrophobicContact CB-CB 4.46Å; I170-R247 HydrophobicContact CD1-CG 4.27Å; I170-R247 PolarHBondContact N-O 2.97Å; I170-E249 HydrophobicContact CD1-CB 4.34Å; I170-E249 HydrophobicContact CG1-CB 4.02Å
171E98.8Very high98.8Very high96 Ų9635 Ų3545%0.44919%0.19SC..EExtended strand (participates in β ladder)trans-159.5161.1177.668.5-162.114700110.3K226 V246 R247E171-K226 CarbonylContact C-O 3.53Å; E171-K226 VanDerWaalsContact CA-O 3.32Å; E171-K226 WeakPolarHBondContact CA-O 3.32Å; E171-V246 WeakPolarHBondContact O-CA 3.4Å; E171-R247 HydrophobicContact CG-CB 4.27Å; E171-R247 PolarHBondContact O-N 3.26Å; E171-R247 IonicContact OE1-CZ 3.54Å; E171-R247 IonicContact OE1-NE 3Å; E171-R247 PolarHBondContact OE1-NE 2.87Å; E171-R247 IonicContact OE1-NH2 3.4Å; E171-R247 PolarHBondContact OE1-NH2 2.88Å
172G98.7Very high98.7Very high9 Ų936.6 Ų36.69%0.09322%0.215CC..EExtended strand (participates in β ladder)trans-161.8152.4176.200000114.4K226 T228 T245G172-K226 PolarHBondContact N-O 2.97Å; G172-T228 PolarHBondContact O-N 3.26Å; G172-T245 CarbonylContact C-O 3.45Å; G172-T245 WeakPolarHBondContact CA-O 3.45Å
173L98.8Very high98.5Very high113 Ų11340 Ų4059%0.59224%0.236SC*.EExtended strand (participates in β ladder)trans-117.7133.1173.6-72.5172000109.4T228 T245L173-T228 WeakPolarHBondContact CA-O 3.38Å; L173-T228 HydrophobicContact CD2-CG2 3.51Å; L173-T245 PolarHBondContact N-O 2.88Å; L173-T245 PolarHBondContact O-N 3.39Å
174M98.7Very high98.4Very high2 Ų240.7 Ų40.71%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-111.6134.5177.4-178.8-91-60.600110.9T152 L156 T176 T210 A212 A213 T228 G229 M230 V242 D243 L244T152-M174 HydrophobicContact CG2-CE 3.73Å; T152-M174 HydrophobicContact CG2-SD 4.03Å; L156-M174 HydrophobicContact CD2-CB 4.26Å; L156-M174 HydrophobicContact CD2-CE 4.24Å; L156-M174 HydrophobicContact CD2-CG 4.11Å; M174-T176 HydrophobicContact SD-CG2 4.13Å; M174-T176 PolarHBondContact SD-N 3.11Å; M174-T176 VanDerWaalsContact SD-N 3.38Å; M174-T210 HydrophobicContact CE-CG2 4.22Å; M174-A212 HydrophobicContact CE-CB 4.2Å; M174-A213 HydrophobicContact CB-CB 4.09Å; M174-A213 HydrophobicContact CE-CB 3.62Å; M174-T228 PolarHBondContact N-O 3.12Å; M174-G229 CarbonylContact O-C 3.57Å; M174-G229 WeakPolarHBondContact O-CA 3.45Å; M174-M230 PolarHBondContact O-N 2.78Å; M174-V242 HydrophobicContact CG-CG1 3.82Å; M174-D243 CarbonylContact C-O 3.58Å; M174-D243 VanDerWaalsContact CA-O 3.3Å; M174-D243 WeakPolarHBondContact CA-O 3.35Å; M174-L244 HydrophobicContact CB-CD1 4.36Å
175S98.9Very high98.4Very high35 Ų3543.4 Ų43.425%0.24525%0.25CC..EExtended strand (participates in β ladder)trans-112.4134.5158.9-75.80000108.1M230 D243S175-M230 WeakPolarHBondContact CA-O 3.32Å; S175-M230 PolarHBondContact OG-SD 2.89Å; S175-M230 VanDerWaalsContact OG-SD 3.42Å; S175-D243 PolarHBondContact N-O 2.69Å; S175-D243 PolarHBondContact O-N 2.69Å
176T98.8Very high98.4Very high1 Ų145.1 Ų45.11%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-108123.5165.6-179.40000109.6T152 M174 H178 M230 A231 F232 V241 Y313T152-T176 HydrophobicContact CG2-CG2 3.91Å; M174-T176 HydrophobicContact SD-CG2 4.13Å; M174-T176 PolarHBondContact SD-N 3.11Å; M174-T176 VanDerWaalsContact SD-N 3.38Å; T176-H178 HydrophobicContact CG2-CB 4.4Å; T176-M230 PolarHBondContact N-O 3.35Å; T176-A231 HydrophobicContact CG2-CB 3.5Å; T176-A231 CarbonylContact O-C 3.57Å; T176-A231 VanDerWaalsContact O-CA 3.29Å; T176-A231 WeakPolarHBondContact O-CA 3.27Å; T176-F232 PolarHBondContact O-N 2.88Å; T176-V241 CarbonylContact C-O 3.36Å; T176-V241 VanDerWaalsContact CA-O 3.25Å; T176-V241 WeakPolarHBondContact CA-O 3.27Å; T176-V241 PolarHBondContact OG1-O 3.39Å; T176-Y313 PolarHBondContact OG1-OH 3.41Å
177V98.9Very high98.4Very high58 Ų5846.5 Ų46.535%0.35227%0.274SS..EExtended strand (participates in β ladder)trans-89.6105.9168.2-178.20000105.8F232 V234 S240 V241V177-F232 WeakPolarHBondContact CA-O 3.24Å; V177-V234 HydrophobicContact CG1-CB 4.33Å; V177-V234 HydrophobicContact CG1-CG1 3.65Å; V177-V234 HydrophobicContact CG1-CG2 3.69Å; V177-S240 WeakPolarHBondContact O-CA 3.36Å; V177-V241 HydrophobicContact CB-CG1 3.73Å; V177-V241 HydrophobicContact CG2-CG1 4.42Å; V177-V241 PolarHBondContact N-O 3.16Å; V177-V241 PolarHBondContact O-N 2.98Å
178H98.9Very high98.4Very high5 Ų549.4 Ų49.42%0.02329%0.292CS..EExtended strand (participates in β ladder)trans-117.3135.4-160.7-163.1-56.1000111C151 T176 F232 R233 V234 S240 Y313C151-H178 PolarHBondContact SG-NE2 2.59Å; T176-H178 HydrophobicContact CG2-CB 4.4Å; H178-F232 PolarHBondContact N-O 2.9Å; H178-R233 PolarHBondContact CD2-NH1 3.35Å; H178-R233 PolarHBondContact CE1-NH1 3.08Å; H178-R233 PolarHBondContact ND1-NH1 3.39Å; H178-R233 CarbonylContact O-C 3.59Å; H178-R233 VanDerWaalsContact O-CA 3.27Å; H178-R233 WeakPolarHBondContact O-CA 3.46Å; H178-V234 PolarHBondContact O-N 3.14Å; H178-S240 WeakPolarHBondContact CA-OG 2.98Å; H178-S240 PolarHBondContact CE1-OG 2.95Å; H178-S240 VanDerWaalsContact CG-OG 3.31Å; H178-S240 PolarHBondContact ND1-OG 3.48Å; H178-Y313 PolarHBondContact CD2-OH 2.9Å; H178-Y313 PolarHBondContact NE2-OH 3.34Å
179A98.8Very high98.4Very high0 Ų050.6 Ų50.60%030%0.304CS..EExtended strand (participates in β ladder)trans-55.7157.5170.900000112.5T236 N238 V239 S240A179-T236 WeakPolarHBondContact CA-O 3.29Å; A179-T236 WeakPolarHBondContact CA-OG1 3.12Å; A179-T236 WeakPolarHBondContact CB-O 3.43Å; A179-N238 VanDerWaalsContact CB-C 3.48Å; A179-N238 VanDerWaalsContact CB-CA 3.49Å; A179-V239 WeakPolarHBondContact CB-O 3.23Å; A179-S240 PolarHBondContact N-OG 3.39Å
180T98.3Very high98.3Very high34 Ų3456.5 Ų56.521%0.20934%0.342CS..  trans-63.9142.9174.9-68.40000111Q184 A201 V234 T236T180-Q184 VanDerWaalsContact CA-OE1 3.25Å; T180-Q184 HydrophobicContact CG2-CB 4.17Å; T180-A201 HydrophobicContact CG2-CB 3.63Å; T180-V234 PolarHBondContact OG1-O 2.87Å; T180-V234 VanDerWaalsContact OG1-O 3.1Å; T180-T236 PolarHBondContact N-O 2.97Å
181T98Very high98.2Very high45 Ų4554.5 Ų54.528%0.27633%0.334SS..  trans-122.1170.4176.872.20000112.2T183 Q184T181-T183 PolarHBondContact O-N 3.06Å; T181-T183 PolarHBondContact OG1-OG1 3.01Å; T181-Q184 PolarHBondContact O-N 3.18Å; T181-Q184 VanDerWaalsContact O-N 3.12Å
182A97.3Very high98Very high96 Ų9653 Ų5379%0.79334%0.344SS*.THydrogen-bonded Turntrans-62-11.6-179.600000114.9
183T94.7Very high97.7Very high78 Ų7862.3 Ų62.348%0.47938%0.382SS..THydrogen-bonded Turntrans-80.9-21.4176.957.50000112.8T181 K185T181-T183 PolarHBondContact O-N 3.06Å; T181-T183 PolarHBondContact OG1-OG1 3.01Å; T183-K185 PolarHBondContact O-NZ 3.42Å
184Q98.1Very high97.5Very high15 Ų1562.1 Ų62.17%0.0738%0.38CS..SBendtrans-79.4172.2179.5-68.1168-107.100111.8T180 T181 A201T180-Q184 VanDerWaalsContact CA-OE1 3.25Å; T180-Q184 HydrophobicContact CG2-CB 4.17Å; T181-Q184 PolarHBondContact O-N 3.18Å; T181-Q184 VanDerWaalsContact O-N 3.12Å; Q184-A201 HydrophobicContact CB-CB 3.88Å
185K98.2Very high97.5Very high71 Ų7172.3 Ų72.331%0.30942%0.418SS..BIsolated β-bridgetrans-115146.4-175.3-56.7-66.1172.2-76.50111.2T183 V187 P190 A201T183-K185 PolarHBondContact O-NZ 3.42Å; K185-V187 VanDerWaalsContact C-N 3.35Å; K185-V187 WeakPolarHBondContact CB-O 3.36Å; K185-P190 WeakPolarHBondContact CE-O 3.5Å; K185-A201 VanDerWaalsContact O-CB 3.26Å; K185-A201 WeakPolarHBondContact O-CB 3.3Å; K185-A201 PolarHBondContact O-N 3.16Å
186T98.4Very high97.5Very high124 Ų12477.8 Ų77.876%0.76143%0.433SS*.SBendtrans-65.3-41.7176.948.20000111.4
187V98.6Very high97.4Very high95 Ų9578.5 Ų78.558%0.57644%0.437SS*.SBendtrans-128.7168.7175.4-640000109.8K185 G189K185-V187 VanDerWaalsContact C-N 3.35Å; K185-V187 WeakPolarHBondContact CB-O 3.36Å; V187-G189 PolarHBondContact O-N 3.18Å
188D98.7Very high97.4Very high88 Ų8875.8 Ų75.847%0.47142%0.421SS..SBendtrans-54.3123178.3-72.5-1.5000111.5G198 R199 G200D188-G198 CarbonylContact C-O 3.59Å; D188-G198 WeakPolarHBondContact CA-O 3.5Å; D188-R199 VanDerWaalsContact OD1-CA 3.23Å; D188-R199 WeakPolarHBondContact OD1-CA 3.4Å; D188-R199 IonicContact OD1-CZ 3.95Å; D188-R199 IonicContact OD1-NE 3.08Å; D188-R199 PolarHBondContact OD1-NE 2.8Å; D188-R199 IonicContact OD1-NH2 3.02Å; D188-R199 IonicContact OD2-CZ 3.96Å; D188-R199 VanDerWaalsContact OD2-CZ 3.31Å; D188-R199 IonicContact OD2-NE 3.88Å; D188-R199 PolarHBondContact OD2-NE 3.41Å; D188-R199 IonicContact OD2-NH2 2.59Å; D188-R199 PolarHBondContact OD2-NH2 3.06Å; D188-G200 PolarHBondContact OD1-N 3.18Å
189G98.4Very high97.4Very high33 Ų3381.1 Ų81.134%0.3444%0.441SS..  trans-164.1175.6-176.900000114.4V187 G198V187-G189 PolarHBondContact O-N 3.18Å; G189-G198 PolarHBondContact N-O 3.44Å; G189-G198 CarbonylContact O-C 3.58Å; G189-G198 WeakPolarHBondContact O-CA 3.32Å
190P97.9Very high97.4Very high123 Ų12381.1 Ų81.180%0.79944%0.441SS*.  trans-66.4138.9-174.9-21.533.7000113.6K185K185-P190 WeakPolarHBondContact CE-O 3.5Å
191S97.2Very high97.4Very high23 Ų2379.8 Ų79.816%0.16143%0.434CS..  trans-140.633.1178.6-164.70000113K193 M194S191-K193 PolarHBondContact O-N 3.41Å; S191-K193 VanDerWaalsContact O-N 3.16Å; S191-M194 VanDerWaalsContact CB-O 3.28Å; S191-M194 WeakPolarHBondContact CB-O 3.41Å; S191-M194 PolarHBondContact O-N 3.19Å; S191-M194 PolarHBondContact OG-O 3.45Å
192G94.5Very high97.4Very high64 Ų6481.4 Ų81.466%0.6645%0.452SS*.THydrogen-bonded Turntrans55.8-120.8179.900000112.3W195G192-W195 VanDerWaalsContact O-CD1 3.22Å; G192-W195 PolarHBondContact O-NE1 3.07Å
193K91.9Very high97.5Very high206 Ų20683.6 Ų83.690%0.89645%0.445SS*.THydrogen-bonded Turntrans-83.9-12.7178.8-63.4-174.7180-178.80113.9S191 W195S191-K193 PolarHBondContact O-N 3.41Å; S191-K193 VanDerWaalsContact O-N 3.16Å; K193-W195 PolarHBondContact O-N 3.23Å
194M95.1Very high97.7Very high109 Ų10982 Ų8254%0.53743%0.434SS..  trans-95.866.8-177.9-63-175.5-63.600110S191 R196 D197S191-M194 VanDerWaalsContact CB-O 3.28Å; S191-M194 WeakPolarHBondContact CB-O 3.41Å; S191-M194 PolarHBondContact O-N 3.19Å; S191-M194 PolarHBondContact OG-O 3.45Å; M194-R196 VanDerWaalsContact C-N 3.28Å; M194-R196 PolarHBondContact O-N 3.45Å; M194-D197 HydrophobicContact CB-CB 4.13Å; M194-D197 WeakPolarHBondContact O-CB 3.3Å; M194-D197 PolarHBondContact O-N 2.85Å
195W98.1Very high97.7Very high215 Ų21587 Ų8781%0.81446%0.46SS*.G310 helixtrans-55-40.2-169.1-62.2-9000114G192 K193 D197 G198G192-W195 VanDerWaalsContact O-CD1 3.22Å; G192-W195 PolarHBondContact O-NE1 3.07Å; K193-W195 PolarHBondContact O-N 3.23Å; W195-D197 VanDerWaalsContact C-N 3.33Å; W195-D197 PolarHBondContact O-N 2.8Å; W195-G198 PolarHBondContact O-N 3.45Å
196R98.6Very high97.7Very high151 Ų15183.8 Ų83.857%0.5745%0.446SS*.G310 helixtrans-65.1-36-179.8-64.3-177-179.5177.9-0.1112.3M194 G198 R199 I206 P207M194-R196 VanDerWaalsContact C-N 3.28Å; M194-R196 PolarHBondContact O-N 3.45Å; R196-G198 PolarHBondContact O-N 3.48Å; R196-R199 WeakPolarHBondContact O-CB 3.41Å; R196-R199 WeakPolarHBondContact O-CG 3.45Å; R196-R199 PolarHBondContact O-N 3.05Å; R196-R199 VanDerWaalsContact O-N 3.1Å; R196-I206 HydrophobicContact CB-CG2 3.71Å; R196-I206 VanDerWaalsContact O-CG2 3.3Å; R196-I206 WeakPolarHBondContact O-CG2 3.5Å; R196-P207 WeakPolarHBondContact CD-O 3.43Å
197D97.6Very high97.8Very high15 Ų1579.8 Ų79.88%0.0842%0.422CS..G310 helixtrans-70.5-11.4179.4-65.3-2.9000112.9M194 W195 R199M194-D197 HydrophobicContact CB-CB 4.13Å; M194-D197 WeakPolarHBondContact O-CB 3.3Å; M194-D197 PolarHBondContact O-N 2.85Å; W195-D197 VanDerWaalsContact C-N 3.33Å; W195-D197 PolarHBondContact O-N 2.8Å; D197-R199 VanDerWaalsContact C-N 3.31Å
198G98.3Very high97.7Very high2 Ų276 Ų762%0.02140%0.401CS..G310 helixtrans-79-10.8172.100000114.1D188 G189 W195 R196D188-G198 CarbonylContact C-O 3.59Å; D188-G198 WeakPolarHBondContact CA-O 3.5Å; G189-G198 PolarHBondContact N-O 3.44Å; G189-G198 CarbonylContact O-C 3.58Å; G189-G198 WeakPolarHBondContact O-CA 3.32Å; W195-G198 PolarHBondContact O-N 3.45Å; R196-G198 PolarHBondContact O-N 3.48Å
199R98.7Very high97.6Very high116 Ų11677.3 Ų77.344%0.43842%0.417SS..SBendtrans-77.1152.5178.7-56.8-58.6-55.7-72.23.1111.4D188 R196 D197 A201 I206D188-R199 VanDerWaalsContact OD1-CA 3.23Å; D188-R199 WeakPolarHBondContact OD1-CA 3.4Å; D188-R199 IonicContact OD1-CZ 3.95Å; D188-R199 IonicContact OD1-NE 3.08Å; D188-R199 PolarHBondContact OD1-NE 2.8Å; D188-R199 IonicContact OD1-NH2 3.02Å; D188-R199 IonicContact OD2-CZ 3.96Å; D188-R199 VanDerWaalsContact OD2-CZ 3.31Å; D188-R199 IonicContact OD2-NE 3.88Å; D188-R199 PolarHBondContact OD2-NE 3.41Å; D188-R199 IonicContact OD2-NH2 2.59Å; D188-R199 PolarHBondContact OD2-NH2 3.06Å; R196-R199 WeakPolarHBondContact O-CB 3.41Å; R196-R199 WeakPolarHBondContact O-CG 3.45Å; R196-R199 PolarHBondContact O-N 3.05Å; R196-R199 VanDerWaalsContact O-N 3.1Å; D197-R199 VanDerWaalsContact C-N 3.31Å; R199-A201 PolarHBondContact O-N 3.39Å; R199-A201 VanDerWaalsContact O-N 3.11Å; R199-I206 HydrophobicContact CB-CD1 4.35Å
200G98.7Very high97.4Very high0 Ų077.5 Ų77.50%041%0.411CS..BIsolated β-bridgetrans-52.9114-179.300000112.8D188 A202 Q203 N204D188-G200 PolarHBondContact OD1-N 3.18Å; G200-A202 PolarHBondContact O-N 2.81Å; G200-Q203 PolarHBondContact O-N 2.87Å; G200-N204 PolarHBondContact O-N 3.29Å; G200-N204 PolarHBondContact O-ND2 2.97Å
201A98.6Very high97.1Very high7 Ų773.9 Ų73.96%0.05840%0.397CS..THydrogen-bonded Turntrans-66.3-37.1-167.200000113.8T180 Q184 K185 R199 Q203T180-A201 HydrophobicContact CG2-CB 3.63Å; Q184-A201 HydrophobicContact CB-CB 3.88Å; K185-A201 VanDerWaalsContact O-CB 3.26Å; K185-A201 WeakPolarHBondContact O-CB 3.3Å; K185-A201 PolarHBondContact O-N 3.16Å; R199-A201 PolarHBondContact O-N 3.39Å; R199-A201 VanDerWaalsContact O-N 3.11Å; A201-Q203 PolarHBondContact O-N 3.14Å
202A98.4Very high96.9Very high79 Ų7973 Ų7365%0.65339%0.39SS*.THydrogen-bonded Turntrans-79.9-4.2-179.100000113.4G200 P235G200-A202 PolarHBondContact O-N 2.81Å; A202-P235 WeakPolarHBondContact O-CB 3.36Å; A202-P235 WeakPolarHBondContact O-CG 3.3Å
203Q98.6Very high96.9Very high142 Ų14270 Ų7066%0.66436%0.359SS*.THydrogen-bonded Turntrans-112.8-13.6-172.5-62.2174.6-72.600113.2G200 A201G200-Q203 PolarHBondContact O-N 2.87Å; A201-Q203 PolarHBondContact O-N 3.14Å
204N98.8Very high97.1Very high44 Ų4466.5 Ų66.524%0.23534%0.344CS..  trans-129.7148.8-167-69-83000112.3G200 I206G200-N204 PolarHBondContact O-N 3.29Å; G200-N204 PolarHBondContact O-ND2 2.97Å; N204-I206 HydrophobicContact CB-CD1 4.18Å; N204-I206 HydrophobicContact CB-CG1 3.6Å
205I98.9Very high97.1Very high119 Ų11961.7 Ų61.761%0.6132%0.322SS*.  trans-87.1115.9154.1-60.3166.8000106.3F232 R233 V234I205-F232 HydrophobicContact CG2-CB 4.06Å; I205-F232 HydrophobicContact CG2-CD1 3.84Å; I205-F232 HydrophobicContact CG2-CG 4.29Å; I205-R233 CarbonylContact C-O 3.57Å; I205-R233 WeakPolarHBondContact CA-O 3.47Å; I205-V234 HydrophobicContact CG1-CG1 4.28Å; I205-V234 HydrophobicContact CG2-CG1 4.29Å
206I98.8Very high97.1Very high5 Ų551.5 Ų51.53%0.02628%0.283CS..EExtended strand (participates in β ladder)trans-112.2107.8-171.2-54177.1000109.3R196 R199 N204 A208 F232 R233R196-I206 HydrophobicContact CB-CG2 3.71Å; R196-I206 VanDerWaalsContact O-CG2 3.3Å; R196-I206 WeakPolarHBondContact O-CG2 3.5Å; R199-I206 HydrophobicContact CB-CD1 4.35Å; N204-I206 HydrophobicContact CB-CD1 4.18Å; N204-I206 HydrophobicContact CB-CG1 3.6Å; I206-A208 PolarHBondContact O-N 3.12Å; I206-F232 CarbonylContact O-C 3.59Å; I206-F232 WeakPolarHBondContact O-CA 3.49Å; I206-R233 HydrophobicContact CB-CB 4.09Å; I206-R233 HydrophobicContact CB-CG 4.49Å; I206-R233 PolarHBondContact N-O 3.16Å; I206-R233 PolarHBondContact O-N 2.72Å
207P98.7Very high97Very high40 Ų4044.5 Ų44.526%0.2626%0.259SS..EExtended strand (participates in β ladder)trans-72.5131.5175-3.216.3000110.7R196 M230 A231 F232R196-P207 WeakPolarHBondContact CD-O 3.43Å; P207-M230 HydrophobicContact CB-CE 3.89Å; P207-A231 CarbonylContact C-O 3.55Å; P207-A231 WeakPolarHBondContact CA-O 3.43Å; P207-F232 HydrophobicContact CB-CD1 3.92Å; P207-F232 HydrophobicContact CB-CE1 3.87Å; P207-F232 HydrophobicContact CG-CD1 4.11Å; P207-F232 HydrophobicContact CG-CE1 4.01Å
208A97.9Very high97Very high15 Ų1549.7 Ų49.712%0.12428%0.28CS..EExtended strand (participates in β ladder)trans-132.1150.8-17900000111I206 A231I206-A208 PolarHBondContact O-N 3.12Å; A208-A231 HydrophobicContact CB-CB 4.37Å; A208-A231 PolarHBondContact N-O 2.84Å; A208-A231 PolarHBondContact O-N 3.06Å
209S95.1Very high96.9Very high115 Ų11549.7 Ų49.780%0.80428%0.28SS*.EExtended strand (participates in β ladder)trans-77.1151.8168.659.20000110.1
210T94.1Very high96.9Very high37 Ų3744.9 Ų44.923%0.22726%0.263CS..  trans-145.8140.6172.8177.90000110.7M174 A212 A231M174-T210 HydrophobicContact CE-CG2 4.22Å; T210-A212 VanDerWaalsContact C-N 3.28Å; T210-A212 VanDerWaalsContact OG1-CB 3.32Å; T210-A212 WeakPolarHBondContact OG1-CB 3.45Å; T210-A212 PolarHBondContact OG1-N 2.98Å; T210-A212 VanDerWaalsContact OG1-N 3.1Å; T210-A231 HydrophobicContact CG2-CB 4.24Å
211G91.6Very high96.9Very high48 Ų4848.4 Ų48.450%0.49529%0.286SS..SBendtrans-83.2-1.9171.600000113.6A213 K214 A215G211-A213 PolarHBondContact O-N 2.87Å; G211-K214 PolarHBondContact O-N 3.42Å; G211-A215 WeakPolarHBondContact O-CB 3.48Å; G211-A215 PolarHBondContact O-N 3.49Å
212A94.1Very high96.9Very high3 Ų354.4 Ų54.43%0.02531%0.313CS..Hα-helixtrans-62.1-42-166.400000114.1T152 T153 M174 T210 A215 V216T152-A212 HydrophobicContact CG2-CB 3.77Å; T153-A212 WeakPolarHBondContact OG1-CA 3.35Å; T153-A212 PolarHBondContact OG1-O 2.72Å; T153-A212 VanDerWaalsContact OG1-O 3.05Å; M174-A212 HydrophobicContact CE-CB 4.2Å; T210-A212 VanDerWaalsContact C-N 3.28Å; T210-A212 VanDerWaalsContact OG1-CB 3.32Å; T210-A212 WeakPolarHBondContact OG1-CB 3.45Å; T210-A212 PolarHBondContact OG1-N 2.98Å; T210-A212 VanDerWaalsContact OG1-N 3.1Å; A212-A215 WeakPolarHBondContact O-CB 3.33Å; A212-A215 PolarHBondContact O-N 3.43Å; A212-V216 PolarHBondContact O-N 2.65Å
213A94.5Very high96.9Very high1 Ų150.7 Ų50.71%0.00828%0.282CS..Hα-helixtrans-68.8-41.2175.700000112.3L156 M174 G211 A215 V216 T228L156-A213 HydrophobicContact CD2-CB 3.92Å; M174-A213 HydrophobicContact CB-CB 4.09Å; M174-A213 HydrophobicContact CE-CB 3.62Å; G211-A213 PolarHBondContact O-N 2.87Å; A213-A215 PolarHBondContact O-N 2.87Å; A213-V216 VanDerWaalsContact O-CB 3.27Å; A213-V216 WeakPolarHBondContact O-CB 3.47Å; A213-V216 PolarHBondContact O-N 3.5Å; A213-V216 VanDerWaalsContact O-N 3.08Å; A213-T228 VanDerWaalsContact CB-C 3.41Å
214K95Very high96.9Very high133 Ų13349.5 Ų49.558%0.57828%0.28SS*.Hα-helixtrans-61.7-35.4174-65.8-174.3179.5-176.20111.6G211 V216 G217 T228G211-K214 PolarHBondContact O-N 3.42Å; K214-V216 PolarHBondContact O-N 3.12Å; K214-G217 PolarHBondContact O-N 3.38Å; K214-G217 VanDerWaalsContact O-N 3.12Å; K214-T228 WeakPolarHBondContact CE-OG1 3.4Å
215A96.4Very high96.8Very high9 Ų951.1 Ų51.17%0.07431%0.307CS..Hα-helixtrans-66.4-20.917700000113.3M129 T153 G211 A212 A213 G217 K218 V219M129-A215 HydrophobicContact CE-CB 3.88Å; T153-A215 HydrophobicContact CG2-CB 4.17Å; G211-A215 WeakPolarHBondContact O-CB 3.48Å; G211-A215 PolarHBondContact O-N 3.49Å; A212-A215 WeakPolarHBondContact O-CB 3.33Å; A212-A215 PolarHBondContact O-N 3.43Å; A213-A215 PolarHBondContact O-N 2.87Å; A215-G217 PolarHBondContact O-N 3.25Å; A215-K218 WeakPolarHBondContact O-CB 3.24Å; A215-K218 PolarHBondContact O-N 2.88Å; A215-V219 PolarHBondContact O-N 3.03Å
216V97.8Very high96.8Very high0 Ų049 Ų490%029%0.294CS..Hα-helixtrans-59.3-39.3170.6179.70000110.6T153 L156 A157 A160 A212 A213 K214 K218 V219 I220 L223 L227T153-V216 HydrophobicContact CG2-CG2 4.32Å; L156-V216 HydrophobicContact CB-CG2 4.26Å; L156-V216 HydrophobicContact CD2-CG2 3.53Å; L156-V216 HydrophobicContact CG-CG2 3.76Å; A157-V216 HydrophobicContact CB-CG1 4.36Å; A157-V216 HydrophobicContact CB-CG2 4.28Å; A160-V216 HydrophobicContact CB-CG1 4.2Å; A212-V216 PolarHBondContact O-N 2.65Å; A213-V216 VanDerWaalsContact O-CB 3.27Å; A213-V216 WeakPolarHBondContact O-CB 3.47Å; A213-V216 PolarHBondContact O-N 3.5Å; A213-V216 VanDerWaalsContact O-N 3.08Å; K214-V216 PolarHBondContact O-N 3.12Å; V216-K218 PolarHBondContact O-N 3.46Å; V216-K218 VanDerWaalsContact O-N 3.17Å; V216-V219 WeakPolarHBondContact O-CG2 3.44Å; V216-V219 PolarHBondContact O-N 3.47Å; V216-V219 VanDerWaalsContact O-N 3.12Å; V216-I220 HydrophobicContact CG1-CB 4.47Å; V216-I220 HydrophobicContact CG1-CD1 3.9Å; V216-I220 HydrophobicContact CG1-CG1 4.41Å; V216-I220 PolarHBondContact O-N 3.17Å; V216-L223 HydrophobicContact CG1-CD1 4.01Å; V216-L227 HydrophobicContact CB-CD1 4.13Å; V216-L227 HydrophobicContact CG1-CD1 3.84Å
217G96.6Very high96.8Very high5 Ų549.2 Ų49.25%0.05230%0.295CS..Hα-helixtrans-62.1-20.1174.800000114.7K214 A215 P221K214-G217 PolarHBondContact O-N 3.38Å; K214-G217 VanDerWaalsContact O-N 3.12Å; A215-G217 PolarHBondContact O-N 3.25Å; G217-P221 WeakPolarHBondContact O-CA 3.27Å
218K96.6Very high96.8Very high124 Ų12449.9 Ų49.954%0.53930%0.298SS..Hα-helixtrans-81.5-35.4174.3-67.8180168-167.70112.1M129 A215 V216M129-K218 HydrophobicContact CE-CB 4.22Å; M129-K218 HydrophobicContact CE-CD 3.25Å; M129-K218 HydrophobicContact CE-CG 4.33Å; A215-K218 WeakPolarHBondContact O-CB 3.24Å; A215-K218 PolarHBondContact O-N 2.88Å; V216-K218 PolarHBondContact O-N 3.46Å; V216-K218 VanDerWaalsContact O-N 3.17Å
219V98.1Very high96.8Very high2 Ų250 Ų501%0.01230%0.301CS..Hα-helixtrans-90-26.7-179.7-62.50000112.7M129 V131 V134 N135 A157 A215 V216M129-V219 HydrophobicContact CB-CG1 4.31Å; V131-V219 HydrophobicContact CG2-CG1 4.22Å; V131-V219 HydrophobicContact CG2-CG2 4.36Å; V134-V219 HydrophobicContact CG1-CB 4.37Å; V134-V219 HydrophobicContact CG1-CG2 4.27Å; N135-V219 HydrophobicContact CB-CB 4.39Å; N135-V219 WeakPolarHBondContact CB-O 3.45Å; A157-V219 HydrophobicContact CB-CG2 3.96Å; A215-V219 PolarHBondContact O-N 3.03Å; V216-V219 WeakPolarHBondContact O-CG2 3.44Å; V216-V219 PolarHBondContact O-N 3.47Å; V216-V219 VanDerWaalsContact O-N 3.12Å
220I98.4Very high97Very high14 Ų1447 Ų477%0.07228%0.275CS..SBendtrans-122.187.4172-53.1171.2000107.4V134 A157 K161 V216 E222 L223V134-I220 HydrophobicContact CG1-CD1 3.86Å; V134-I220 HydrophobicContact CG1-CG1 3.44Å; V134-I220 VanDerWaalsContact CG1-CG1 3.44Å; A157-I220 HydrophobicContact CB-CD1 4.46Å; A157-I220 WeakPolarHBondContact O-CD1 3.17Å; K161-I220 HydrophobicContact CB-CD1 3.78Å; V216-I220 HydrophobicContact CG1-CB 4.47Å; V216-I220 HydrophobicContact CG1-CD1 3.9Å; V216-I220 HydrophobicContact CG1-CG1 4.41Å; V216-I220 PolarHBondContact O-N 3.17Å; I220-E222 PolarHBondContact O-N 3.36Å; I220-E222 VanDerWaalsContact O-N 3.11Å; I220-L223 HydrophobicContact CB-CB 4.43Å; I220-L223 HydrophobicContact CB-CD1 4.14Å; I220-L223 HydrophobicContact CB-CG 4.3Å; I220-L223 HydrophobicContact CD1-CD1 4.01Å; I220-L223 HydrophobicContact CG2-CB 4.3Å; I220-L223 HydrophobicContact CG2-CD1 3.83Å; I220-L223 HydrophobicContact CG2-CG 3.76Å; I220-L223 PolarHBondContact O-N 3.04Å
221P98Very high97.2Very high75 Ų7545.4 Ų45.449%0.48727%0.265SS..G310 helixtrans-55-31.2-174.3-29.937.5000115G217 L223 N224G217-P221 WeakPolarHBondContact O-CA 3.27Å; P221-L223 PolarHBondContact O-N 3.43Å; P221-N224 VanDerWaalsContact O-CB 3.22Å; P221-N224 WeakPolarHBondContact O-CB 3.38Å; P221-N224 PolarHBondContact O-N 3.04Å
222E98.3Very high97.5Very high133 Ų13346.4 Ų46.462%0.62126%0.256SS*.G310 helixtrans-62.4-19.3176.1-64.1173.4-163.900113.8N164 I220 K226N164-E222 PolarHBondContact ND2-OE2 3.25Å; N164-E222 VanDerWaalsContact ND2-OE2 3.12Å; I220-E222 PolarHBondContact O-N 3.36Å; I220-E222 VanDerWaalsContact O-N 3.11Å; E222-K226 WeakPolarHBondContact O-CE 3.17Å; E222-K226 PolarHBondContact O-NZ 3.49Å
223L98.6Very high97.8Very high1 Ų148.2 Ų48.21%0.00526%0.262CS..G310 helixtrans-100.45.5177.7-61-178.6000112.9A160 N164 I169 V216 I220 P221 G225 K226 L227A160-L223 HydrophobicContact CB-CD1 4.03Å; N164-L223 HydrophobicContact CB-CD1 4.32Å; N164-L223 HydrophobicContact CB-CD2 4.19Å; N164-L223 WeakPolarHBondContact OD1-CD2 3.48Å; I169-L223 HydrophobicContact CB-CD2 3.8Å; I169-L223 HydrophobicContact CD1-CD1 4.28Å; I169-L223 HydrophobicContact CD1-CD2 4.32Å; I169-L223 HydrophobicContact CG2-CD2 4.33Å; V216-L223 HydrophobicContact CG1-CD1 4.01Å; I220-L223 HydrophobicContact CB-CB 4.43Å; I220-L223 HydrophobicContact CB-CD1 4.14Å; I220-L223 HydrophobicContact CB-CG 4.3Å; I220-L223 HydrophobicContact CD1-CD1 4.01Å; I220-L223 HydrophobicContact CG2-CB 4.3Å; I220-L223 HydrophobicContact CG2-CD1 3.83Å; I220-L223 HydrophobicContact CG2-CG 3.76Å; I220-L223 PolarHBondContact O-N 3.04Å; P221-L223 PolarHBondContact O-N 3.43Å; L223-G225 PolarHBondContact O-N 2.93Å; L223-K226 HydrophobicContact CD2-CD 4.14Å; L223-K226 PolarHBondContact O-N 3.44Å; L223-L227 HydrophobicContact CB-CD1 4.38Å; L223-L227 HydrophobicContact CD1-CD1 3.98Å
224N98.3Very high98Very high117 Ų11749.4 Ų49.463%0.62627%0.269SS*.THydrogen-bonded Turntrans-62127.5177.5-169.937.6000111P221 K226P221-N224 VanDerWaalsContact O-CB 3.22Å; P221-N224 WeakPolarHBondContact O-CB 3.38Å; P221-N224 PolarHBondContact O-N 3.04Å; N224-K226 PolarHBondContact O-N 3.47Å
225G98Very high98.2Very high78 Ų7846.2 Ų46.280%0.80426%0.262SS*.THydrogen-bonded Turntrans77.4-8.7-174.900000115.5L223L223-G225 PolarHBondContact O-N 2.93Å
226K98.7Very high98.3Very high75 Ų7547.8 Ų47.833%0.32627%0.271SS..THydrogen-bonded Turntrans-91-20.6-178.4-60.3-171.4177.2-179.50114.2I169 I170 E171 G172 E222 L223 N224I169-K226 VanDerWaalsContact O-CD 3.28Å; I169-K226 WeakPolarHBondContact O-CD 3.31Å; I169-K226 PolarHBondContact O-NZ 3.46Å; I170-K226 WeakPolarHBondContact O-CD 3.45Å; E171-K226 CarbonylContact C-O 3.53Å; E171-K226 VanDerWaalsContact CA-O 3.32Å; E171-K226 WeakPolarHBondContact CA-O 3.32Å; G172-K226 PolarHBondContact N-O 2.97Å; E222-K226 WeakPolarHBondContact O-CE 3.17Å; E222-K226 PolarHBondContact O-NZ 3.49Å; L223-K226 HydrophobicContact CD2-CD 4.14Å; L223-K226 PolarHBondContact O-N 3.44Å; N224-K226 PolarHBondContact O-N 3.47Å
227L98.6Very high98.3Very high9 Ų952.5 Ų52.55%0.04730%0.301CS..EExtended strand (participates in β ladder)trans-124.1131.9-176.7-63.7178.5000111.9A160 I169 V216 L223 L244 V246A160-L227 HydrophobicContact CB-CD1 4.31Å; I169-L227 HydrophobicContact CG2-CD2 4.22Å; V216-L227 HydrophobicContact CB-CD1 4.13Å; V216-L227 HydrophobicContact CG1-CD1 3.84Å; L223-L227 HydrophobicContact CB-CD1 4.38Å; L223-L227 HydrophobicContact CD1-CD1 3.98Å; L227-L244 HydrophobicContact CD2-CD1 4.31Å; L227-V246 HydrophobicContact CD2-CG1 4.37Å
228T98.4Very high98.4Very high54 Ų5452.4 Ų52.433%0.33130%0.3SS..EExtended strand (participates in β ladder)trans-145.2174.1166.8-170.20000109.5G172 L173 M174 A213 K214G172-T228 PolarHBondContact O-N 3.26Å; L173-T228 WeakPolarHBondContact CA-O 3.38Å; L173-T228 HydrophobicContact CD2-CG2 3.51Å; M174-T228 PolarHBondContact N-O 3.12Å; A213-T228 VanDerWaalsContact CB-C 3.41Å; K214-T228 WeakPolarHBondContact CE-OG1 3.4Å
229G97.8Very high98.5Very high18 Ų1846.7 Ų46.719%0.18628%0.275CS..EExtended strand (participates in β ladder)trans-176.4-175.4-176.900000114.4M174M174-G229 CarbonylContact O-C 3.57Å; M174-G229 WeakPolarHBondContact O-CA 3.45Å
230M98.6Very high98.6Very high52 Ų5246.6 Ų46.626%0.25628%0.275SS..EExtended strand (participates in β ladder)trans-142.8176.8179.264.874.567.500110.3M174 S175 T176 P207 F232M174-M230 PolarHBondContact O-N 2.78Å; S175-M230 WeakPolarHBondContact CA-O 3.32Å; S175-M230 PolarHBondContact OG-SD 2.89Å; S175-M230 VanDerWaalsContact OG-SD 3.42Å; T176-M230 PolarHBondContact N-O 3.35Å; P207-M230 HydrophobicContact CB-CE 3.89Å; M230-F232 HydrophobicContact CE-CD1 3.91Å; M230-F232 HydrophobicContact CE-CD2 3.82Å; M230-F232 HydrophobicContact CE-CE1 3.61Å; M230-F232 HydrophobicContact CE-CE2 3.52Å; M230-F232 HydrophobicContact CE-CG 4.02Å; M230-F232 HydrophobicContact CE-CZ 3.4Å; M230-F232 VanDerWaalsContact CE-CZ 3.4Å; M230-F232 HydrophobicContact SD-CD2 3.63Å; M230-F232 HydrophobicContact SD-CE2 3.3Å; M230-F232 WeakPolarHBondContact SD-CE2 3.36Å; M230-F232 HydrophobicContact SD-CG 4.38Å; M230-F232 HydrophobicContact SD-CZ 3.81Å
231A98.8Very high98.6Very high2 Ų247 Ų472%0.01728%0.277CS..EExtended strand (participates in β ladder)trans-128.9150.7178.200000111.4T176 P207 A208 T210T176-A231 HydrophobicContact CG2-CB 3.5Å; T176-A231 CarbonylContact O-C 3.57Å; T176-A231 VanDerWaalsContact O-CA 3.29Å; T176-A231 WeakPolarHBondContact O-CA 3.27Å; P207-A231 CarbonylContact C-O 3.55Å; P207-A231 WeakPolarHBondContact CA-O 3.43Å; A208-A231 HydrophobicContact CB-CB 4.37Å; A208-A231 PolarHBondContact N-O 2.84Å; A208-A231 PolarHBondContact O-N 3.06Å; T210-A231 HydrophobicContact CG2-CB 4.24Å
232F98.9Very high98.6Very high69 Ų6943.4 Ų43.430%0.30325%0.254SS..EExtended strand (participates in β ladder)trans-116116.8161.4-65.4-80.4000108T176 V177 H178 I205 I206 P207 M230T176-F232 PolarHBondContact O-N 2.88Å; V177-F232 WeakPolarHBondContact CA-O 3.24Å; H178-F232 PolarHBondContact N-O 2.9Å; I205-F232 HydrophobicContact CG2-CB 4.06Å; I205-F232 HydrophobicContact CG2-CD1 3.84Å; I205-F232 HydrophobicContact CG2-CG 4.29Å; I206-F232 CarbonylContact O-C 3.59Å; I206-F232 WeakPolarHBondContact O-CA 3.49Å; P207-F232 HydrophobicContact CB-CD1 3.92Å; P207-F232 HydrophobicContact CB-CE1 3.87Å; P207-F232 HydrophobicContact CG-CD1 4.11Å; P207-F232 HydrophobicContact CG-CE1 4.01Å; M230-F232 HydrophobicContact CE-CD1 3.91Å; M230-F232 HydrophobicContact CE-CD2 3.82Å; M230-F232 HydrophobicContact CE-CE1 3.61Å; M230-F232 HydrophobicContact CE-CE2 3.52Å; M230-F232 HydrophobicContact CE-CG 4.02Å; M230-F232 HydrophobicContact CE-CZ 3.4Å; M230-F232 VanDerWaalsContact CE-CZ 3.4Å; M230-F232 HydrophobicContact SD-CD2 3.63Å; M230-F232 HydrophobicContact SD-CE2 3.3Å; M230-F232 WeakPolarHBondContact SD-CE2 3.36Å; M230-F232 HydrophobicContact SD-CG 4.38Å; M230-F232 HydrophobicContact SD-CZ 3.81Å
233R98.8Very high98.6Very high42 Ų4239 Ų3916%0.15824%0.235CC..EExtended strand (participates in β ladder)trans-77.9131.3169-48.9-67.1-174.7177.6-0.8108.6H178 I205 I206H178-R233 PolarHBondContact CD2-NH1 3.35Å; H178-R233 PolarHBondContact CE1-NH1 3.08Å; H178-R233 PolarHBondContact ND1-NH1 3.39Å; H178-R233 CarbonylContact O-C 3.59Å; H178-R233 VanDerWaalsContact O-CA 3.27Å; H178-R233 WeakPolarHBondContact O-CA 3.46Å; I205-R233 CarbonylContact C-O 3.57Å; I205-R233 WeakPolarHBondContact CA-O 3.47Å; I206-R233 HydrophobicContact CB-CB 4.09Å; I206-R233 HydrophobicContact CB-CG 4.49Å; I206-R233 PolarHBondContact N-O 3.16Å; I206-R233 PolarHBondContact O-N 2.72Å
234V98.8Very high98.7Very high25 Ų2539 Ų3915%0.15224%0.235CC..EExtended strand (participates in β ladder)trans-125.4160.5-178.3-62.70000112V177 H178 T180 I205 T236V177-V234 HydrophobicContact CG1-CB 4.33Å; V177-V234 HydrophobicContact CG1-CG1 3.65Å; V177-V234 HydrophobicContact CG1-CG2 3.69Å; H178-V234 PolarHBondContact O-N 3.14Å; T180-V234 PolarHBondContact OG1-O 2.87Å; T180-V234 VanDerWaalsContact OG1-O 3.1Å; I205-V234 HydrophobicContact CG1-CG1 4.28Å; I205-V234 HydrophobicContact CG2-CG1 4.29Å; V234-T236 PolarHBondContact O-N 2.77Å
235P98.8Very high98.7Very high67 Ų6734.9 Ų34.944%0.43521%0.214SC..SBendtrans-6953.5-179.5-24.938.6000115.6A202A202-P235 WeakPolarHBondContact O-CB 3.36Å; A202-P235 WeakPolarHBondContact O-CG 3.3Å
236T98.8Very high98.7Very high42 Ų4231.1 Ų31.126%0.25818%0.176SC..  trans-120.5141.6169.4530000109.6A179 T180 V234A179-T236 WeakPolarHBondContact CA-O 3.29Å; A179-T236 WeakPolarHBondContact CA-OG1 3.12Å; A179-T236 WeakPolarHBondContact CB-O 3.43Å; T180-T236 PolarHBondContact N-O 2.97Å; V234-T236 PolarHBondContact O-N 2.77Å
237P98.4Very high98.7Very high98 Ų9832.6 Ų32.664%0.63618%0.179SC*.SBendtrans-78.5-23-174.830.8-35.3000113.1
238N98.9Very high98.7Very high4 Ų432.2 Ų32.22%0.02118%0.177CC..SBendtrans-160.3172.3179.5-171.235.6000110.2T50 A179 N286 D314 N315 E316T50-N238 HydrophobicContact CG2-CB 3.33Å; T50-N238 WeakPolarHBondContact CG2-ND2 3.24Å; A179-N238 VanDerWaalsContact CB-C 3.48Å; A179-N238 VanDerWaalsContact CB-CA 3.49Å; N238-N286 PolarHBondContact ND2-OD1 2.95Å; N238-D314 PolarHBondContact ND2-OD1 2.8Å; N238-D314 PolarHBondContact ND2-OD2 3.49Å; N238-D314 PolarHBondContact OD1-OD1 3.22Å; N238-N315 PolarHBondContact OD1-ND2 3.36Å; N238-N315 PolarHBondContact OD1-OD1 3.32Å; N238-E316 WeakPolarHBondContact OD1-CG 3.29Å
239V98.9Very high98.8Very high3 Ų335.9 Ų35.92%0.01819%0.19CC..  trans65.7133.1-174.6-177.70000112.1A179 S282 F285 N286 W312 D314 N315A179-V239 WeakPolarHBondContact CB-O 3.23Å; V239-S282 WeakPolarHBondContact CB-O 3.26Å; V239-S282 VanDerWaalsContact CG1-O 3.29Å; V239-S282 WeakPolarHBondContact CG1-O 3.15Å; V239-S282 WeakPolarHBondContact CG2-O 3.47Å; V239-F285 HydrophobicContact CG1-CB 3.98Å; V239-F285 HydrophobicContact CG1-CD2 4.32Å; V239-F285 HydrophobicContact CG2-CB 4.14Å; V239-N286 WeakPolarHBondContact CG2-OD1 3.38Å; V239-W312 HydrophobicContact CG1-CE3 3.95Å; V239-W312 HydrophobicContact CG1-CZ3 4.43Å; V239-D314 HydrophobicContact CG2-CB 4.37Å; V239-N315 VanDerWaalsContact C-OD1 3.3Å; V239-N315 WeakPolarHBondContact CA-OD1 3.35Å; V239-N315 PolarHBondContact N-OD1 2.81Å
240S98.9Very high98.8Very high1 Ų140.6 Ų40.61%0.00721%0.206CC..EExtended strand (participates in β ladder)trans-135166.1-176.7-61.70000109.5V177 H178 A179 Y313 N315V177-S240 WeakPolarHBondContact O-CA 3.36Å; H178-S240 WeakPolarHBondContact CA-OG 2.98Å; H178-S240 PolarHBondContact CE1-OG 2.95Å; H178-S240 VanDerWaalsContact CG-OG 3.31Å; H178-S240 PolarHBondContact ND1-OG 3.48Å; A179-S240 PolarHBondContact N-OG 3.39Å; S240-Y313 VanDerWaalsContact CB-CE1 3.46Å; S240-Y313 WeakPolarHBondContact CB-OH 3.33Å; S240-Y313 PolarHBondContact N-O 3.02Å; S240-Y313 VanDerWaalsContact O-CD1 3.31Å; S240-Y313 WeakPolarHBondContact O-CD1 3.4Å; S240-Y313 PolarHBondContact O-N 3.05Å; S240-N315 PolarHBondContact N-OD1 3.43Å; S240-N315 PolarHBondContact OG-OD1 3.16Å
241V98.9Very high98.8Very high21 Ų2141.7 Ų41.713%0.12722%0.217CC..EExtended strand (participates in β ladder)trans-135.2141.6179.263.50000110.4T176 V177 V310 S311 W312T176-V241 CarbonylContact C-O 3.36Å; T176-V241 VanDerWaalsContact CA-O 3.25Å; T176-V241 WeakPolarHBondContact CA-O 3.27Å; T176-V241 PolarHBondContact OG1-O 3.39Å; V177-V241 HydrophobicContact CB-CG1 3.73Å; V177-V241 HydrophobicContact CG2-CG1 4.42Å; V177-V241 PolarHBondContact N-O 3.16Å; V177-V241 PolarHBondContact O-N 2.98Å; V241-V310 HydrophobicContact CG2-CG1 3.43Å; V241-V310 VanDerWaalsContact CG2-CG1 3.43Å; V241-S311 WeakPolarHBondContact CA-O 3.33Å; V241-S311 WeakPolarHBondContact CG2-O 3.25Å; V241-W312 HydrophobicContact CB-CD2 4.07Å; V241-W312 HydrophobicContact CB-CE3 3.67Å; V241-W312 HydrophobicContact CB-CH2 4.34Å; V241-W312 HydrophobicContact CB-CZ3 3.79Å; V241-W312 HydrophobicContact CG1-CZ3 4.18Å; V241-W312 HydrophobicContact CG2-CD2 3.99Å; V241-W312 HydrophobicContact CG2-CE3 4.12Å; V241-W312 HydrophobicContact CG2-CG 4.41Å; V241-W312 HydrophobicContact CG2-CZ3 4.4Å
242V98.9Very high98.8Very high0 Ų041.8 Ų41.80%022%0.218CC..EExtended strand (participates in β ladder)trans-96.7128.3169.1165.90000108.3T152 C155 L156 M174 L244 V310 S311 Y313T152-V242 HydrophobicContact CG2-CG2 4.01Å; C155-V242 HydrophobicContact CB-CG2 4.02Å; L156-V242 HydrophobicContact CD1-CG1 4Å; M174-V242 HydrophobicContact CG-CG1 3.82Å; V242-L244 HydrophobicContact CG1-CB 4.22Å; V242-V310 WeakPolarHBondContact O-CA 3.42Å; V242-S311 PolarHBondContact N-O 2.91Å; V242-S311 PolarHBondContact O-N 3.14Å; V242-Y313 HydrophobicContact CG2-CD1 4.34Å; V242-Y313 HydrophobicContact CG2-CE1 3.83Å
243D98.9Very high98.8Very high42 Ų4244 Ų4423%0.22523%0.227CC..EExtended strand (participates in β ladder)trans-104.7112.1161.7173.2-19000107.2M174 S175 T245 K308M174-D243 CarbonylContact C-O 3.58Å; M174-D243 VanDerWaalsContact CA-O 3.3Å; M174-D243 WeakPolarHBondContact CA-O 3.35Å; S175-D243 PolarHBondContact N-O 2.69Å; S175-D243 PolarHBondContact O-N 2.69Å; D243-T245 PolarHBondContact OD1-OG1 3.43Å; D243-K308 VanDerWaalsContact OD1-CG 3.3Å; D243-K308 WeakPolarHBondContact OD1-CG 3.42Å; D243-K308 IonicContact OD1-NZ 3.4Å; D243-K308 PolarHBondContact OD1-NZ 3.38Å; D243-K308 IonicContact OD2-NZ 3.42Å; D243-K308 PolarHBondContact OD2-NZ 2.86Å
244L98.9Very high98.8Very high0 Ų044 Ų440%023%0.227CC..EExtended strand (participates in β ladder)trans-109.6112.8177.1176.463.5000109.6L156 M174 L227 V242 V246 K308 L309L156-L244 HydrophobicContact CD1-CB 4.19Å; L156-L244 HydrophobicContact CD1-CD1 3.86Å; L156-L244 HydrophobicContact CD1-CD2 3.71Å; L156-L244 HydrophobicContact CD1-CG 4.12Å; M174-L244 HydrophobicContact CB-CD1 4.36Å; L227-L244 HydrophobicContact CD2-CD1 4.31Å; V242-L244 HydrophobicContact CG1-CB 4.22Å; L244-V246 HydrophobicContact CD1-CG1 3.54Å; L244-V246 HydrophobicContact CD2-CG1 3.89Å; L244-V246 HydrophobicContact CG-CG1 3.56Å; L244-K308 CarbonylContact O-C 3.6Å; L244-K308 WeakPolarHBondContact O-CA 3.19Å; L244-L309 HydrophobicContact CB-CB 4.48Å; L244-L309 PolarHBondContact N-O 3.42Å; L244-L309 PolarHBondContact O-N 2.97Å
245T98.9Very high98.8Very high30 Ų3047.1 Ų47.118%0.18424%0.243CC..EExtended strand (participates in β ladder)trans-101119171.5-54.20000109.1G172 L173 D243 F306 V307 K308G172-T245 CarbonylContact C-O 3.45Å; G172-T245 WeakPolarHBondContact CA-O 3.45Å; L173-T245 PolarHBondContact N-O 2.88Å; L173-T245 PolarHBondContact O-N 3.39Å; D243-T245 PolarHBondContact OD1-OG1 3.43Å; T245-F306 HydrophobicContact CG2-CE1 4.08Å; T245-F306 HydrophobicContact CG2-CE2 3.72Å; T245-F306 HydrophobicContact CG2-CZ 3.38Å; T245-V307 WeakPolarHBondContact CA-O 3.34Å; T245-K308 PolarHBondContact OG1-NZ 3.19Å
246V98.8Very high98.8Very high0 Ų047 Ų470%024%0.239CC..EExtended strand (participates in β ladder)trans-133.6147.2-172.1-76.40000112.4I169 E171 L227 L244 L248 F306 V307 L309I169-V246 HydrophobicContact CD1-CG1 4.44Å; I169-V246 HydrophobicContact CG2-CB 4.5Å; I169-V246 HydrophobicContact CG2-CG1 4.12Å; E171-V246 WeakPolarHBondContact O-CA 3.4Å; L227-V246 HydrophobicContact CD2-CG1 4.37Å; L244-V246 HydrophobicContact CD1-CG1 3.54Å; L244-V246 HydrophobicContact CD2-CG1 3.89Å; L244-V246 HydrophobicContact CG-CG1 3.56Å; V246-L248 HydrophobicContact CG2-CD2 3.98Å; V246-F306 WeakPolarHBondContact O-CD2 3.47Å; V246-V307 HydrophobicContact CG2-CG2 3.69Å; V246-V307 PolarHBondContact N-O 2.95Å; V246-V307 PolarHBondContact O-N 2.9Å; V246-V307 VanDerWaalsContact O-N 3.11Å; V246-L309 HydrophobicContact CG2-CD1 4.39Å
247R98.9Very high98.8Very high106 Ų10645 Ų4540%0.423%0.226SC..EExtended strand (participates in β ladder)trans-99.3126.1166.3-168.2168.258.3138.1-3.1109.8I170 E171 H305 F306I170-R247 HydrophobicContact CB-CB 4.46Å; I170-R247 HydrophobicContact CD1-CG 4.27Å; I170-R247 PolarHBondContact N-O 2.97Å; E171-R247 HydrophobicContact CG-CB 4.27Å; E171-R247 PolarHBondContact O-N 3.26Å; E171-R247 IonicContact OE1-CZ 3.54Å; E171-R247 IonicContact OE1-NE 3Å; E171-R247 PolarHBondContact OE1-NE 2.87Å; E171-R247 IonicContact OE1-NH2 3.4Å; E171-R247 PolarHBondContact OE1-NH2 2.88Å; R247-H305 CarbonylContact C-O 3.56Å; R247-H305 VanDerWaalsContact CA-O 3.24Å; R247-H305 WeakPolarHBondContact CA-O 3.08Å; R247-F306 HydrophobicContact CB-CD2 4.19Å
248L98.9Very high98.8Very high0 Ų042.2 Ų42.20%020%0.204CC..EExtended strand (participates in β ladder)trans-96.6144-175.8-52.6-179.8000111.2I163 Y167 G168 V246 K250 A252 I257 H305 V307I163-L248 HydrophobicContact CG2-CD2 3.53Å; Y167-L248 HydrophobicContact CG-CD1 4.47Å; G168-L248 CarbonylContact O-C 3.52Å; G168-L248 WeakPolarHBondContact O-CA 3.33Å; V246-L248 HydrophobicContact CG2-CD2 3.98Å; L248-K250 WeakPolarHBondContact CB-O 3.5Å; L248-A252 HydrophobicContact CD1-CB 3.86Å; L248-I257 HydrophobicContact CD1-CD1 4.2Å; L248-H305 PolarHBondContact N-O 2.87Å; L248-H305 PolarHBondContact O-ND1 2.75Å; L248-V307 HydrophobicContact CD1-CG2 4.15Å; L248-V307 HydrophobicContact CG-CG2 4.37Å
249E98.7Very high98.8Very high131 Ų13148.2 Ų48.261%0.61223%0.23SC*.SBendtrans-74-48.6175.1-177174.4-167.100111.5Y167 G168 I170 H305Y167-E249 WeakPolarHBondContact O-CB 3.47Å; Y167-E249 PolarHBondContact O-N 2.78Å; G168-E249 PolarHBondContact O-N 3.01Å; I170-E249 HydrophobicContact CD1-CB 4.34Å; I170-E249 HydrophobicContact CG1-CB 4.02Å; E249-H305 PolarHBondContact O-CE1 3.33Å; E249-H305 VanDerWaalsContact O-CE1 3.27Å
250K98.7Very high98.8Very high117 Ų11749.5 Ų49.551%0.50924%0.238SC..SBendtrans-92.8141.2173.5-58.4177.3-169.4164.50110.1Y167 L248Y167-K250 PolarHBondContact O-N 3.46Å; L248-K250 WeakPolarHBondContact CB-O 3.5Å
251P98.7Very high98.8Very high76 Ų7649.4 Ų49.449%0.49424%0.238SC..  trans-64.5142174.527.2-32.8000110.4D304 H305P251-D304 CarbonylContact C-O 3.49Å; P251-D304 WeakPolarHBondContact CA-O 3.42Å; P251-D304 HydrophobicContact CB-CB 3.73Å; P251-H305 VanDerWaalsContact N-CE1 3.35Å
252A98.7Very high98.8Very high4 Ų452.8 Ų52.83%0.03325%0.251CS..  trans-140.6124.917700000110.8Y167 L248 I257 D304Y167-A252 HydrophobicContact CD1-CB 3.61Å; Y167-A252 HydrophobicContact CD2-CB 4.24Å; Y167-A252 HydrophobicContact CE1-CB 3.51Å; Y167-A252 HydrophobicContact CE2-CB 4.14Å; Y167-A252 HydrophobicContact CG-CB 3.98Å; L248-A252 HydrophobicContact CD1-CB 3.86Å; A252-I257 HydrophobicContact CB-CD1 3.99Å; A252-I257 HydrophobicContact CB-CG1 3.72Å; A252-D304 PolarHBondContact N-O 2.8Å; A252-D304 WeakPolarHBondContact O-CA 3.4Å
253K98.8Very high98.8Very high115 Ų11555.8 Ų55.850%0.528%0.275SS..  trans-69145.6164.4-61-58.5-177.5-168.90108.8D255 D256 I257 D304K253-D255 PolarHBondContact O-N 2.81Å; K253-D256 WeakPolarHBondContact O-CA 3.27Å; K253-D256 WeakPolarHBondContact O-CB 3.29Å; K253-D256 PolarHBondContact O-N 3.01Å; K253-I257 PolarHBondContact O-N 3.47Å; K253-I257 VanDerWaalsContact O-N 3.1Å; K253-D304 WeakPolarHBondContact CD-OD1 3.33Å; K253-D304 VanDerWaalsContact CE-OD2 3.24Å; K253-D304 WeakPolarHBondContact CE-OD2 3.44Å; K253-D304 IonicContact NZ-OD1 2.67Å; K253-D304 PolarHBondContact NZ-OD1 3.38Å; K253-D304 IonicContact NZ-OD2 3.12Å; K253-D304 PolarHBondContact NZ-OD2 2.71Å
254Y98.8Very high98.8Very high41 Ų4154.3 Ų54.316%0.16127%0.269CS..Hα-helixtrans-59.9-34.5-176.4-165.7-102.3000112.7D256 I257 K258 A296 G299 A301 L309Y254-D256 VanDerWaalsContact C-N 3.3Å; Y254-D256 PolarHBondContact O-N 2.94Å; Y254-I257 HydrophobicContact CD2-CD1 4.44Å; Y254-I257 WeakPolarHBondContact O-CB 3.32Å; Y254-I257 PolarHBondContact O-N 3.22Å; Y254-K258 HydrophobicContact CD1-CD 3.9Å; Y254-K258 HydrophobicContact CD1-CG 4.33Å; Y254-K258 HydrophobicContact CE1-CD 3.92Å; Y254-K258 HydrophobicContact CE1-CG 4.15Å; Y254-K258 WeakPolarHBondContact O-CG 3.21Å; Y254-K258 PolarHBondContact O-N 2.94Å; Y254-A296 WeakPolarHBondContact CE1-O 3.37Å; Y254-A296 PolarHBondContact OH-O 3Å; Y254-G299 WeakPolarHBondContact OH-CA 3.35Å; Y254-G299 PolarHBondContact OH-N 2.8Å; Y254-A301 HydrophobicContact CD2-CB 4.09Å; Y254-A301 HydrophobicContact CG-CB 4.45Å; Y254-L309 HydrophobicContact CE2-CD2 3.96Å
255D98.8Very high98.8Very high92 Ų9254.6 Ų54.649%0.49227%0.271SS..Hα-helixtrans-65.1-30.3173.1-76.1-29.7000113.5K253 K258 K259K253-D255 PolarHBondContact O-N 2.81Å; D255-K258 WeakPolarHBondContact O-CB 3.49Å; D255-K258 WeakPolarHBondContact OD1-CE 3.42Å; D255-K258 IonicContact OD1-NZ 2.69Å; D255-K258 PolarHBondContact OD1-NZ 3.03Å; D255-K259 VanDerWaalsContact O-CG 3.29Å; D255-K259 WeakPolarHBondContact O-CG 3.4Å; D255-K259 PolarHBondContact O-N 3.25Å; D255-K259 VanDerWaalsContact O-N 3.08Å
256D98.8Very high98.8Very high63 Ų6357.8 Ų57.834%0.33729%0.287SS..Hα-helixtrans-75.5-37.2175.4-61.9-35.7000110.9Y167 K253 Y254 K258 K259 V260Y167-D256 PolarHBondContact OH-O 3.44Å; K253-D256 WeakPolarHBondContact O-CA 3.27Å; K253-D256 WeakPolarHBondContact O-CB 3.29Å; K253-D256 PolarHBondContact O-N 3.01Å; Y254-D256 VanDerWaalsContact C-N 3.3Å; Y254-D256 PolarHBondContact O-N 2.94Å; D256-K258 VanDerWaalsContact C-N 3.32Å; D256-K258 PolarHBondContact O-N 3Å; D256-K259 PolarHBondContact O-N 3.03Å; D256-K259 IonicContact OD1-NZ 3.25Å; D256-K259 PolarHBondContact OD1-NZ 2.89Å; D256-V260 PolarHBondContact O-N 3.29Å
257I98.9Very high98.8Very high0 Ų059.6 Ų59.60%031%0.306CS..Hα-helixtrans-56.7-48.7170.1-62.4174.6000110.1I163 Y167 L248 A252 K253 Y254 K259 V260 V261 V307 L309I163-I257 HydrophobicContact CD1-CG2 3.7Å; Y167-I257 HydrophobicContact CD2-CG1 4.49Å; Y167-I257 HydrophobicContact CE2-CG1 3.92Å; Y167-I257 PolarHBondContact OH-N 2.93Å; L248-I257 HydrophobicContact CD1-CD1 4.2Å; A252-I257 HydrophobicContact CB-CD1 3.99Å; A252-I257 HydrophobicContact CB-CG1 3.72Å; K253-I257 PolarHBondContact O-N 3.47Å; K253-I257 VanDerWaalsContact O-N 3.1Å; Y254-I257 HydrophobicContact CD2-CD1 4.44Å; Y254-I257 WeakPolarHBondContact O-CB 3.32Å; Y254-I257 PolarHBondContact O-N 3.22Å; I257-K259 VanDerWaalsContact C-N 3.34Å; I257-K259 PolarHBondContact O-N 2.6Å; I257-V260 VanDerWaalsContact O-CG2 3.24Å; I257-V260 WeakPolarHBondContact O-CG2 3.3Å; I257-V260 PolarHBondContact O-N 2.82Å; I257-V261 HydrophobicContact CG2-CG2 4.31Å; I257-V261 VanDerWaalsContact O-CG2 3.29Å; I257-V261 WeakPolarHBondContact O-CG2 3.21Å; I257-V261 PolarHBondContact O-N 2.96Å; I257-V307 HydrophobicContact CD1-CB 4.36Å; I257-V307 HydrophobicContact CD1-CG1 3.87Å; I257-V307 HydrophobicContact CD1-CG2 4.1Å; I257-L309 HydrophobicContact CG2-CD2 3.96Å
258K98.9Very high98.7Very high40 Ų4060.2 Ų60.217%0.17432%0.324CS..Hα-helixtrans-54.4-47.8175.4-78.916641.9-175.80112.1Y254 D255 D256 V261 K262 Y275 E277 F294 A296Y254-K258 HydrophobicContact CD1-CD 3.9Å; Y254-K258 HydrophobicContact CD1-CG 4.33Å; Y254-K258 HydrophobicContact CE1-CD 3.92Å; Y254-K258 HydrophobicContact CE1-CG 4.15Å; Y254-K258 WeakPolarHBondContact O-CG 3.21Å; Y254-K258 PolarHBondContact O-N 2.94Å; D255-K258 WeakPolarHBondContact O-CB 3.49Å; D255-K258 WeakPolarHBondContact OD1-CE 3.42Å; D255-K258 IonicContact OD1-NZ 2.69Å; D255-K258 PolarHBondContact OD1-NZ 3.03Å; D256-K258 VanDerWaalsContact C-N 3.32Å; D256-K258 PolarHBondContact O-N 3Å; K258-V261 PolarHBondContact O-N 2.81Å; K258-K262 VanDerWaalsContact O-CB 3.3Å; K258-K262 WeakPolarHBondContact O-CB 3.15Å; K258-K262 PolarHBondContact O-N 3.38Å; K258-Y275 HydrophobicContact CB-CE2 4.18Å; K258-Y275 HydrophobicContact CG-CE2 4.4Å; K258-Y275 WeakPolarHBondContact O-CE2 3.43Å; K258-E277 VanDerWaalsContact CE-OE1 3.24Å; K258-E277 WeakPolarHBondContact CE-OE1 3.39Å; K258-E277 IonicContact NZ-OE1 2.75Å; K258-E277 PolarHBondContact NZ-OE1 3.2Å; K258-F294 HydrophobicContact CG-CE1 4.18Å; K258-A296 HydrophobicContact CD-CB 4.12Å; K258-A296 HydrophobicContact CG-CB 3.89Å
259K98.9Very high98.7Very high130 Ų13060.6 Ų60.657%0.56533%0.326SS*.Hα-helixtrans-60.4-46.4-179.9-72.1168.6-160.1158.50112.3D255 D256 I257 K262 A263D255-K259 VanDerWaalsContact O-CG 3.29Å; D255-K259 WeakPolarHBondContact O-CG 3.4Å; D255-K259 PolarHBondContact O-N 3.25Å; D255-K259 VanDerWaalsContact O-N 3.08Å; D256-K259 PolarHBondContact O-N 3.03Å; D256-K259 IonicContact OD1-NZ 3.25Å; D256-K259 PolarHBondContact OD1-NZ 2.89Å; I257-K259 VanDerWaalsContact C-N 3.34Å; I257-K259 PolarHBondContact O-N 2.6Å; K259-K262 PolarHBondContact O-N 3.05Å; K259-A263 WeakPolarHBondContact O-CB 3.3Å; K259-A263 PolarHBondContact O-N 2.66Å
260V98.8Very high98.7Very high30 Ų3062.2 Ų62.218%0.18233%0.331CS..Hα-helixtrans-70-35.9-178.3-58.80000112.1V162 N166 Y167 D256 I257 A263 A264V162-V260 HydrophobicContact CG1-CG2 4.22Å; N166-V260 HydrophobicContact CB-CG2 4.5Å; Y167-V260 HydrophobicContact CE2-CG2 3.63Å; D256-V260 PolarHBondContact O-N 3.29Å; I257-V260 VanDerWaalsContact O-CG2 3.24Å; I257-V260 WeakPolarHBondContact O-CG2 3.3Å; I257-V260 PolarHBondContact O-N 2.82Å; V260-A263 PolarHBondContact O-N 2.92Å; V260-A264 WeakPolarHBondContact O-CB 3.35Å; V260-A264 PolarHBondContact O-N 3.42Å
261V98.9Very high98.7Very high0 Ų058.4 Ų58.40%033%0.325CS..Hα-helixtrans-67.2-44.4175.2177.50000110.7L159 V162 I163 I257 K258 A264 A265 L273 Y275 F294L159-V261 HydrophobicContact CD1-CG1 4.41Å; L159-V261 HydrophobicContact CD1-CG2 4.06Å; V162-V261 HydrophobicContact CG1-CG2 4.09Å; I163-V261 HydrophobicContact CD1-CG2 4.06Å; I257-V261 HydrophobicContact CG2-CG2 4.31Å; I257-V261 VanDerWaalsContact O-CG2 3.29Å; I257-V261 WeakPolarHBondContact O-CG2 3.21Å; I257-V261 PolarHBondContact O-N 2.96Å; K258-V261 PolarHBondContact O-N 2.81Å; V261-A264 PolarHBondContact O-N 3.28Å; V261-A265 WeakPolarHBondContact O-CB 3.47Å; V261-A265 PolarHBondContact O-N 2.65Å; V261-L273 HydrophobicContact CG1-CD2 4.18Å; V261-Y275 HydrophobicContact CB-CD2 4.48Å; V261-Y275 HydrophobicContact CG1-CD2 4.18Å; V261-F294 HydrophobicContact CB-CD1 4.24Å; V261-F294 HydrophobicContact CB-CG 4.46Å; V261-F294 HydrophobicContact CG1-CB 3.56Å; V261-F294 HydrophobicContact CG1-CD1 3.73Å; V261-F294 HydrophobicContact CG1-CD2 4.37Å; V261-F294 HydrophobicContact CG1-CG 3.63Å
262K98.9Very high98.7Very high91 Ų9155.8 Ų55.840%0.39631%0.307SS..Hα-helixtrans-59.9-46.2174.4-178.5166.8176.546.70111.8K258 K259 A264 A265 D266 Y275K258-K262 VanDerWaalsContact O-CB 3.3Å; K258-K262 WeakPolarHBondContact O-CB 3.15Å; K258-K262 PolarHBondContact O-N 3.38Å; K259-K262 PolarHBondContact O-N 3.05Å; K262-A264 VanDerWaalsContact C-N 3.32Å; K262-A264 PolarHBondContact O-N 3.1Å; K262-A265 PolarHBondContact O-N 3.46Å; K262-D266 WeakPolarHBondContact CG-OD2 3.34Å; K262-D266 IonicContact NZ-OD2 2.71Å; K262-D266 PolarHBondContact NZ-OD2 2.79Å; K262-D266 WeakPolarHBondContact O-CB 3.29Å; K262-D266 PolarHBondContact O-N 3.39Å; K262-Y275 HydrophobicContact CB-CD1 4.1Å; K262-Y275 HydrophobicContact CB-CD2 3.79Å; K262-Y275 HydrophobicContact CB-CE1 4.24Å; K262-Y275 HydrophobicContact CB-CE2 3.98Å; K262-Y275 HydrophobicContact CB-CG 3.86Å; K262-Y275 HydrophobicContact CD-CD1 3.93Å; K262-Y275 HydrophobicContact CD-CE1 3.82Å; K262-Y275 HydrophobicContact CG-CD1 4.04Å; K262-Y275 HydrophobicContact CG-CE1 4.32Å; K262-Y275 HydrophobicContact CG-CG 4.18Å
263A98.8Very high98.7Very high63 Ų6355.7 Ų55.752%0.52131%0.306SS..Hα-helixtrans-60.9-40.2177.300000112.3K259 V260 G267K259-A263 WeakPolarHBondContact O-CB 3.3Å; K259-A263 PolarHBondContact O-N 2.66Å; V260-A263 PolarHBondContact O-N 2.92Å; A263-G267 PolarHBondContact O-N 2.87Å
264A98.8Very high98.7Very high11 Ų1150.4 Ų50.49%0.09128%0.283CS..Hα-helixtrans-66.1-42.6175.500000112.2V162 V260 V261 K262 G267 L269 L273V162-A264 HydrophobicContact CB-CB 4.45Å; V162-A264 HydrophobicContact CG1-CB 4.08Å; V162-A264 HydrophobicContact CG2-CB 3.45Å; V162-A264 VanDerWaalsContact CG2-CB 3.45Å; V260-A264 WeakPolarHBondContact O-CB 3.35Å; V260-A264 PolarHBondContact O-N 3.42Å; V261-A264 PolarHBondContact O-N 3.28Å; K262-A264 VanDerWaalsContact C-N 3.32Å; K262-A264 PolarHBondContact O-N 3.1Å; A264-G267 CarbonylContact O-C 3.53Å; A264-G267 PolarHBondContact O-N 3.42Å; A264-L269 HydrophobicContact CB-CD1 4.28Å; A264-L269 WeakPolarHBondContact O-CA 3.44Å; A264-L269 WeakPolarHBondContact O-CB 3.38Å; A264-L269 PolarHBondContact O-N 3.35Å; A264-L273 HydrophobicContact CB-CD2 4.28Å
265A98.8Very high98.7Very high6 Ų650.1 Ų50.15%0.0528%0.282CS..Hα-helixtrans-64.8-38177.400000112.8V261 K262 G267 K270 L273V261-A265 WeakPolarHBondContact O-CB 3.47Å; V261-A265 PolarHBondContact O-N 2.65Å; K262-A265 PolarHBondContact O-N 3.46Å; A265-G267 VanDerWaalsContact C-N 3.35Å; A265-K270 WeakPolarHBondContact O-CA 3.17Å; A265-K270 WeakPolarHBondContact O-CB 3.43Å; A265-K270 PolarHBondContact O-N 2.82Å; A265-L273 WeakPolarHBondContact CA-O 3.38Å; A265-L273 HydrophobicContact CB-CG 4.29Å; A265-L273 VanDerWaalsContact CB-O 3.27Å; A265-L273 WeakPolarHBondContact CB-O 3.29Å
266D98.6Very high98.7Very high97 Ų9746.5 Ų46.552%0.51926%0.264SS..Hα-helixtrans-82.3-14.6178.5-69.4-27.7000112.7K262K262-D266 WeakPolarHBondContact CG-OD2 3.34Å; K262-D266 IonicContact NZ-OD2 2.71Å; K262-D266 PolarHBondContact NZ-OD2 2.79Å; K262-D266 WeakPolarHBondContact O-CB 3.29Å; K262-D266 PolarHBondContact O-N 3.39Å
267G98.5Very high98.7Very high38 Ų3848.7 Ų48.739%0.39227%0.272SS..THydrogen-bonded Turntrans-116.8-112.9-177.400000114A263 A264 A265 L269 K270A263-G267 PolarHBondContact O-N 2.87Å; A264-G267 CarbonylContact O-C 3.53Å; A264-G267 PolarHBondContact O-N 3.42Å; A265-G267 VanDerWaalsContact C-N 3.35Å; G267-L269 PolarHBondContact O-N 3.43Å; G267-L269 VanDerWaalsContact O-N 3.14Å; G267-K270 WeakPolarHBondContact O-CB 3.24Å; G267-K270 PolarHBondContact O-N 2.88Å; G267-K270 VanDerWaalsContact O-N 3.12Å
268P98.1Very high98.7Very high119 Ų11954.1 Ų54.177%0.77330%0.301SS*.THydrogen-bonded Turntrans-64.4-21.1-167.526.1-36.2000114.9
269L98.7Very high98.7Very high9 Ų960.8 Ų60.85%0.04733%0.333CS..THydrogen-bonded Turntrans-108.117179.3-62.1177.5000112.8G133 P158 V162 A264 G267 G271 I272 L273G133-L269 VanDerWaalsContact O-CD2 3.24Å; G133-L269 WeakPolarHBondContact O-CD2 3.42Å; P158-L269 HydrophobicContact CB-CD1 4.21Å; V162-L269 HydrophobicContact CG2-CD1 3.63Å; A264-L269 HydrophobicContact CB-CD1 4.28Å; A264-L269 WeakPolarHBondContact O-CA 3.44Å; A264-L269 WeakPolarHBondContact O-CB 3.38Å; A264-L269 PolarHBondContact O-N 3.35Å; G267-L269 PolarHBondContact O-N 3.43Å; G267-L269 VanDerWaalsContact O-N 3.14Å; L269-G271 PolarHBondContact O-N 3.01Å; L269-I272 WeakPolarHBondContact O-CA 3.47Å; L269-I272 WeakPolarHBondContact O-CB 3.3Å; L269-I272 PolarHBondContact O-N 3.34Å; L269-L273 HydrophobicContact CB-CB 3.7Å; L269-L273 HydrophobicContact CD1-CB 4.06Å; L269-L273 HydrophobicContact CD1-CD2 3.76Å; L269-L273 PolarHBondContact O-N 3.48Å
270K98.6Very high98.7Very high164 Ų16455.9 Ų55.971%0.71331%0.313SS*.THydrogen-bonded Turntrans-55.5128.1178.7-173.3173.9-177.5173.10111.8A265 G267 I272A265-K270 WeakPolarHBondContact O-CA 3.17Å; A265-K270 WeakPolarHBondContact O-CB 3.43Å; A265-K270 PolarHBondContact O-N 2.82Å; G267-K270 WeakPolarHBondContact O-CB 3.24Å; G267-K270 PolarHBondContact O-N 2.88Å; G267-K270 VanDerWaalsContact O-N 3.12Å; K270-I272 PolarHBondContact O-N 3.23Å
271G97.9Very high98.7Very high38 Ų3858.2 Ų58.239%0.39233%0.328SS..THydrogen-bonded Turntrans80.9-4.9-175.600000114.9L269L269-G271 PolarHBondContact O-N 3.01Å
272I98.8Very high98.7Very high21 Ų2159.6 Ų59.611%0.10834%0.338CS..THydrogen-bonded Turntrans-109.4-55.6173.5-56.2-62.1000110.2M132 P158 L269 K270 S291 S292M132-I272 HydrophobicContact CB-CD1 4.08Å; M132-I272 WeakPolarHBondContact O-CG2 3.47Å; P158-I272 HydrophobicContact CB-CG2 4.39Å; P158-I272 HydrophobicContact CG-CG2 4.01Å; L269-I272 WeakPolarHBondContact O-CA 3.47Å; L269-I272 WeakPolarHBondContact O-CB 3.3Å; L269-I272 PolarHBondContact O-N 3.34Å; K270-I272 PolarHBondContact O-N 3.23Å; I272-S291 PolarHBondContact O-N 2.79Å; I272-S292 PolarHBondContact O-N 3.4Å; I272-S292 VanDerWaalsContact O-N 3.16Å
273L98.9Very high98.7Very high2 Ų259.4 Ų59.41%0.0134%0.344CS..EExtended strand (participates in β ladder)trans-103.5126.7175.2-178.462.1000109V162 V261 A264 A265 L269 S292V162-L273 HydrophobicContact CG2-CD2 3.94Å; V261-L273 HydrophobicContact CG1-CD2 4.18Å; A264-L273 HydrophobicContact CB-CD2 4.28Å; A265-L273 WeakPolarHBondContact CA-O 3.38Å; A265-L273 HydrophobicContact CB-CG 4.29Å; A265-L273 VanDerWaalsContact CB-O 3.27Å; A265-L273 WeakPolarHBondContact CB-O 3.29Å; L269-L273 HydrophobicContact CB-CB 3.7Å; L269-L273 HydrophobicContact CD1-CB 4.06Å; L269-L273 HydrophobicContact CD1-CD2 3.76Å; L269-L273 PolarHBondContact O-N 3.48Å; L273-S292 CarbonylContact C-O 3.49Å; L273-S292 VanDerWaalsContact CA-O 3.29Å; L273-S292 WeakPolarHBondContact CA-O 3.47Å
274G98.9Very high98.7Very high3 Ų360.9 Ų60.93%0.03134%0.343CS..EExtended strand (participates in β ladder)trans-103.1166.2170.100000111.7S292 F294G274-S292 PolarHBondContact N-O 2.69Å; G274-F294 PolarHBondContact O-N 3.47Å
275Y98.9Very high98.7Very high35 Ų3560.7 Ų60.714%0.13734%0.34CS..EExtended strand (participates in β ladder)trans-138.1137.5175.9177.8-88.3000108.3K258 V261 K262 E277 F294 A296K258-Y275 HydrophobicContact CB-CE2 4.18Å; K258-Y275 HydrophobicContact CG-CE2 4.4Å; K258-Y275 WeakPolarHBondContact O-CE2 3.43Å; V261-Y275 HydrophobicContact CB-CD2 4.48Å; V261-Y275 HydrophobicContact CG1-CD2 4.18Å; K262-Y275 HydrophobicContact CB-CD1 4.1Å; K262-Y275 HydrophobicContact CB-CD2 3.79Å; K262-Y275 HydrophobicContact CB-CE1 4.24Å; K262-Y275 HydrophobicContact CB-CE2 3.98Å; K262-Y275 HydrophobicContact CB-CG 3.86Å; K262-Y275 HydrophobicContact CD-CD1 3.93Å; K262-Y275 HydrophobicContact CD-CE1 3.82Å; K262-Y275 HydrophobicContact CG-CD1 4.04Å; K262-Y275 HydrophobicContact CG-CE1 4.32Å; K262-Y275 HydrophobicContact CG-CG 4.18Å; Y275-E277 HydrophobicContact CE1-CG 3.77Å; Y275-E277 WeakPolarHBondContact OH-CG 3.25Å; Y275-E277 PolarHBondContact OH-OE1 3.08Å; Y275-F294 AromaticContact CD2-CD1 3.65Å; Y275-F294 HydrophobicContact CD2-CD1 3.65Å; Y275-F294 HydrophobicContact CD2-CE1 4.36Å; Y275-F294 AromaticContact CE2-CD1 3.72Å; Y275-F294 HydrophobicContact CE2-CD1 3.72Å; Y275-F294 AromaticContact CE2-CE1 3.97Å; Y275-F294 HydrophobicContact CE2-CE1 3.97Å; Y275-A296 HydrophobicContact CE2-CB 3.89Å; Y275-A296 WeakPolarHBondContact OH-CB 3.23Å
276T98.9Very high98.7Very high16 Ų1663.8 Ų63.810%0.09836%0.356CS..EExtended strand (participates in β ladder)trans-143.9146.4173.6-170.60000111.5D278 V280 I293 F294 A296T276-D278 WeakPolarHBondContact OG1-CB 3.25Å; T276-D278 PolarHBondContact OG1-N 3.39Å; T276-D278 VanDerWaalsContact OG1-N 3.12Å; T276-V280 HydrophobicContact CG2-CG2 4.03Å; T276-I293 HydrophobicContact CG2-CG2 4.23Å; T276-F294 PolarHBondContact N-O 2.76Å; T276-A296 VanDerWaalsContact O-CB 3.3Å; T276-A296 WeakPolarHBondContact O-CB 3.4Å; T276-A296 PolarHBondContact O-N 2.87Å
277E98.8Very high98.7Very high109 Ų10960.6 Ų60.651%0.50935%0.346SS..  trans-113.6-1.1167-73.3-179.7152.200111.5K258 Y275 A296K258-E277 VanDerWaalsContact CE-OE1 3.24Å; K258-E277 WeakPolarHBondContact CE-OE1 3.39Å; K258-E277 IonicContact NZ-OE1 2.75Å; K258-E277 PolarHBondContact NZ-OE1 3.2Å; Y275-E277 HydrophobicContact CE1-CG 3.77Å; Y275-E277 WeakPolarHBondContact OH-CG 3.25Å; Y275-E277 PolarHBondContact OH-OE1 3.08Å; E277-A296 HydrophobicContact CG-CB 3.76Å
278D98.8Very high98.7Very high115 Ų11560.2 Ų60.262%0.61534%0.335SS*.SBendtrans-68.3154.3179.1-63.8-16.9000110.6T276 V280T276-D278 WeakPolarHBondContact OG1-CB 3.25Å; T276-D278 PolarHBondContact OG1-N 3.39Å; T276-D278 VanDerWaalsContact OG1-N 3.12Å; D278-V280 HydrophobicContact CB-CG1 3.84Å; D278-V280 PolarHBondContact O-N 3.44Å
279Q98.6Very high98.7Very high179 Ų17956.9 Ų56.984%0.83632%0.315SS*.  trans-80.368.3177.3-62.4-62-61.700111
280V98.8Very high98.7Very high27 Ų2759.8 Ų59.816%0.16433%0.325CS..  trans-84.6157.7-173.7-65.30000113.4T276 D278 D284 F285T276-V280 HydrophobicContact CG2-CG2 4.03Å; D278-V280 HydrophobicContact CB-CG1 3.84Å; D278-V280 PolarHBondContact O-N 3.44Å; V280-D284 WeakPolarHBondContact CA-OD2 3.3Å; V280-F285 HydrophobicContact CB-CE2 4Å; V280-F285 HydrophobicContact CB-CZ 3.9Å; V280-F285 HydrophobicContact CG1-CZ 4.32Å; V280-F285 HydrophobicContact CG2-CE2 3.88Å; V280-F285 HydrophobicContact CG2-CZ 3.6Å
281V98.9Very high98.7Very high80 Ų8052.1 Ų52.149%0.48529%0.292SS..  trans-131.6174.4169.5-640000110.6T283 D284 F285V281-T283 VanDerWaalsContact C-N 3.28Å; V281-T283 PolarHBondContact O-N 3.42Å; V281-T283 VanDerWaalsContact O-N 3.14Å; V281-D284 PolarHBondContact N-OD2 2.76Å; V281-D284 WeakPolarHBondContact O-CB 3.21Å; V281-D284 PolarHBondContact O-N 3.29Å; V281-D284 VanDerWaalsContact O-N 3.1Å; V281-F285 WeakPolarHBondContact O-CD2 3.36Å; V281-F285 WeakPolarHBondContact O-CE2 3.3Å
282S98.9Very high98.8Very high29 Ų2950.3 Ų50.320%0.20327%0.273CS..G310 helixtrans-54.1-39.6-172.559.80000114.1V239 D284 F285V239-S282 WeakPolarHBondContact CB-O 3.26Å; V239-S282 VanDerWaalsContact CG1-O 3.29Å; V239-S282 WeakPolarHBondContact CG1-O 3.15Å; V239-S282 WeakPolarHBondContact CG2-O 3.47Å; S282-D284 PolarHBondContact O-N 2.98Å; S282-F285 PolarHBondContact O-N 2.88Å
283T98.8Very high98.8Very high86 Ų8649.3 Ų49.353%0.52827%0.268SS..G310 helixtrans-65.7-22.4-176.346.70000114.1V281 F285 N286V281-T283 VanDerWaalsContact C-N 3.28Å; V281-T283 PolarHBondContact O-N 3.42Å; V281-T283 VanDerWaalsContact O-N 3.14Å; T283-F285 PolarHBondContact O-N 3.03Å; T283-N286 PolarHBondContact O-N 2.93Å; T283-N286 PolarHBondContact O-ND2 2.93Å
284D98.8Very high98.8Very high95 Ų9549.2 Ų49.251%0.50827%0.268SS..G310 helixtrans-70.9-14.5-179.2-55.2-32.2000112.2V280 V281 S282V280-D284 WeakPolarHBondContact CA-OD2 3.3Å; V281-D284 PolarHBondContact N-OD2 2.76Å; V281-D284 WeakPolarHBondContact O-CB 3.21Å; V281-D284 PolarHBondContact O-N 3.29Å; V281-D284 VanDerWaalsContact O-N 3.1Å; S282-D284 PolarHBondContact O-N 2.98Å
285F98.9Very high98.8Very high7 Ų749.5 Ų49.53%0.03127%0.269CS..G310 helixtrans-101.84.2178.5-54.9-76.2000113.8V239 V280 V281 S282 T283 G287 D288 I293 W312V239-F285 HydrophobicContact CG1-CB 3.98Å; V239-F285 HydrophobicContact CG1-CD2 4.32Å; V239-F285 HydrophobicContact CG2-CB 4.14Å; V280-F285 HydrophobicContact CB-CE2 4Å; V280-F285 HydrophobicContact CB-CZ 3.9Å; V280-F285 HydrophobicContact CG1-CZ 4.32Å; V280-F285 HydrophobicContact CG2-CE2 3.88Å; V280-F285 HydrophobicContact CG2-CZ 3.6Å; V281-F285 WeakPolarHBondContact O-CD2 3.36Å; V281-F285 WeakPolarHBondContact O-CE2 3.3Å; S282-F285 PolarHBondContact O-N 2.88Å; T283-F285 PolarHBondContact O-N 3.03Å; F285-G287 PolarHBondContact O-N 3.46Å; F285-D288 HydrophobicContact CB-CB 4.35Å; F285-D288 VanDerWaalsContact O-CB 3.25Å; F285-D288 WeakPolarHBondContact O-CB 3.26Å; F285-D288 PolarHBondContact O-N 3.49Å; F285-I293 HydrophobicContact CD1-CB 4.4Å; F285-I293 HydrophobicContact CD1-CD1 4.13Å; F285-I293 HydrophobicContact CD1-CG1 4.21Å; F285-I293 HydrophobicContact CE1-CB 3.92Å; F285-I293 HydrophobicContact CE1-CG1 4.17Å; F285-I293 HydrophobicContact CE1-CG2 3.81Å; F285-W312 HydrophobicContact CD1-CB 4.16Å; F285-W312 HydrophobicContact CD2-CB 3.74Å; F285-W312 AromaticContact CD2-CD2 3.86Å; F285-W312 HydrophobicContact CD2-CD2 3.86Å; F285-W312 HydrophobicContact CD2-CE3 4.09Å; F285-W312 AromaticContact CD2-CG 3.73Å; F285-W312 HydrophobicContact CD2-CG 3.73Å; F285-W312 HydrophobicContact CE1-CB 4.01Å; F285-W312 HydrophobicContact CE1-CG 4.3Å; F285-W312 HydrophobicContact CE2-CB 3.58Å; F285-W312 AromaticContact CE2-CD1 3.39Å; F285-W312 AromaticContact CE2-CD2 3.44Å; F285-W312 HydrophobicContact CE2-CD2 3.44Å; F285-W312 VanDerWaalsContact CE2-CD2 3.44Å; F285-W312 AromaticContact CE2-CE2 3.81Å; F285-W312 HydrophobicContact CE2-CE3 4.11Å; F285-W312 AromaticContact CE2-CG 3.18Å; F285-W312 HydrophobicContact CE2-CG 3.18Å; F285-W312 AromaticContact CE2-NE1 3.74Å; F285-W312 HydrophobicContact CG-CB 4.01Å; F285-W312 HydrophobicContact CG-CG 4.46Å; F285-W312 HydrophobicContact CZ-CB 3.7Å; F285-W312 AromaticContact CZ-CD1 3.37Å; F285-W312 HydrophobicContact CZ-CD2 4.22Å; F285-W312 AromaticContact CZ-CG 3.49Å; F285-W312 HydrophobicContact CZ-CG 3.49Å; F285-W312 VanDerWaalsContact CZ-CG 3.49Å
286N98.5Very high98.8Very high70 Ų7048.3 Ų48.337%0.37427%0.266SS..THydrogen-bonded Turntrans-62.1122.8177.1-82.1-46.9000110.9N238 V239 T283 D288N238-N286 PolarHBondContact ND2-OD1 2.95Å; V239-N286 WeakPolarHBondContact CG2-OD1 3.38Å; T283-N286 PolarHBondContact O-N 2.93Å; T283-N286 PolarHBondContact O-ND2 2.93Å; N286-D288 PolarHBondContact O-N 3.44Å
287G97.8Very high98.7Very high31 Ų3149.9 Ų49.932%0.3229%0.286SS..THydrogen-bonded Turntrans76.89.2-176.100000113.7F285 S289 D314 F317F285-G287 PolarHBondContact O-N 3.46Å; G287-S289 PolarHBondContact O-N 3.05Å; G287-D314 PolarHBondContact N-OD2 3.19Å; G287-F317 VanDerWaalsContact C-CD1 3.43Å; G287-F317 WeakPolarHBondContact O-CD1 3.33Å; G287-F317 VanDerWaalsContact O-CE1 3.23Å; G287-F317 WeakPolarHBondContact O-CE1 3.48Å
288D98.7Very high98.7Very high29 Ų2947.1 Ų47.116%0.15528%0.281CS..  trans-69.7127.4172.4-163-51.4000109.9F285 N286 R290 G318F285-D288 HydrophobicContact CB-CB 4.35Å; F285-D288 VanDerWaalsContact O-CB 3.25Å; F285-D288 WeakPolarHBondContact O-CB 3.26Å; F285-D288 PolarHBondContact O-N 3.49Å; N286-D288 PolarHBondContact O-N 3.44Å; D288-R290 VanDerWaalsContact OD1-CB 3.24Å; D288-R290 WeakPolarHBondContact OD1-CB 3.3Å; D288-R290 WeakPolarHBondContact OD1-CG 3.4Å; D288-R290 IonicContact OD1-CZ 2.73Å; D288-R290 PolarHBondContact OD1-N 3.23Å; D288-R290 IonicContact OD1-NE 2.81Å; D288-R290 PolarHBondContact OD1-NE 3.19Å; D288-R290 IonicContact OD2-CZ 3.19Å; D288-R290 VanDerWaalsContact OD2-CZ 3.28Å; D288-R290 IonicContact OD2-NE 2.78Å; D288-R290 PolarHBondContact OD2-NE 3.13Å; D288-R290 VanDerWaalsContact OD2-NE 3.12Å; D288-R290 IonicContact OD2-NH2 2.76Å; D288-R290 PolarHBondContact OD2-NH2 3.32Å; D288-G318 PolarHBondContact O-N 3.32Å
289S98.5Very high98.7Very high49 Ų4942.2 Ų42.234%0.34326%0.258SS..  trans-84.1-8.2-175.968.20000113.9G287 R322G287-S289 PolarHBondContact O-N 3.05Å; S289-R322 PolarHBondContact O-NH1 2.89Å; S289-R322 PolarHBondContact O-NH2 3.09Å
290R98.9Very high98.7Very high71 Ų7139 Ų3927%0.26825%0.245SC..  trans-74.1151.2-179.8-64.6173.9-72.3-179.32.3110.7D288 I293D288-R290 VanDerWaalsContact OD1-CB 3.24Å; D288-R290 WeakPolarHBondContact OD1-CB 3.3Å; D288-R290 WeakPolarHBondContact OD1-CG 3.4Å; D288-R290 IonicContact OD1-CZ 2.73Å; D288-R290 PolarHBondContact OD1-N 3.23Å; D288-R290 IonicContact OD1-NE 2.81Å; D288-R290 PolarHBondContact OD1-NE 3.19Å; D288-R290 IonicContact OD2-CZ 3.19Å; D288-R290 VanDerWaalsContact OD2-CZ 3.28Å; D288-R290 IonicContact OD2-NE 2.78Å; D288-R290 PolarHBondContact OD2-NE 3.13Å; D288-R290 VanDerWaalsContact OD2-NE 3.12Å; D288-R290 IonicContact OD2-NH2 2.76Å; D288-R290 PolarHBondContact OD2-NH2 3.32Å; R290-I293 HydrophobicContact CB-CD1 3.92Å; R290-I293 HydrophobicContact CB-CG1 4.07Å
291S98.9Very high98.7Very high3 Ų339.5 Ų39.52%0.02125%0.252CS..SBendtrans-78-31.1178.8-600000112.9N154 C155 I272 Y313 R322N154-S291 WeakPolarHBondContact O-CB 2.91Å; C155-S291 WeakPolarHBondContact CA-O 3.49Å; C155-S291 WeakPolarHBondContact CB-O 3.45Å; I272-S291 PolarHBondContact O-N 2.79Å; S291-Y313 VanDerWaalsContact O-CB 3.28Å; S291-Y313 WeakPolarHBondContact O-CB 3.27Å; S291-R322 WeakPolarHBondContact OG-CD 3.32Å; S291-R322 WeakPolarHBondContact OG-CG 3.49Å; S291-R322 PolarHBondContact OG-NH1 3.41Å
292S98.9Very high98.7Very high0 Ų042.1 Ų42.10%026%0.263CS..EExtended strand (participates in β ladder)trans-151.9132.4-170.9-164.30000107.8C155 I272 L273 G274 S311 W312C155-S292 VanDerWaalsContact O-CB 3.23Å; C155-S292 WeakPolarHBondContact O-CB 3.48Å; C155-S292 PolarHBondContact O-OG 2.66Å; I272-S292 PolarHBondContact O-N 3.4Å; I272-S292 VanDerWaalsContact O-N 3.16Å; L273-S292 CarbonylContact C-O 3.49Å; L273-S292 VanDerWaalsContact CA-O 3.29Å; L273-S292 WeakPolarHBondContact CA-O 3.47Å; G274-S292 PolarHBondContact N-O 2.69Å; S292-S311 PolarHBondContact OG-OG 2.87Å; S292-W312 CarbonylContact C-O 3.41Å; S292-W312 WeakPolarHBondContact CA-O 3.15Å
293I98.9Very high98.7Very high0 Ų044.5 Ų44.50%027%0.273CS..EExtended strand (participates in β ladder)trans-128.2104.5174.1-53.684.2000108.2T276 F285 R290 D295 S311 W312T276-I293 HydrophobicContact CG2-CG2 4.23Å; F285-I293 HydrophobicContact CD1-CB 4.4Å; F285-I293 HydrophobicContact CD1-CD1 4.13Å; F285-I293 HydrophobicContact CD1-CG1 4.21Å; F285-I293 HydrophobicContact CE1-CB 3.92Å; F285-I293 HydrophobicContact CE1-CG1 4.17Å; F285-I293 HydrophobicContact CE1-CG2 3.81Å; R290-I293 HydrophobicContact CB-CD1 3.92Å; R290-I293 HydrophobicContact CB-CG1 4.07Å; I293-D295 PolarHBondContact O-N 2.86Å; I293-S311 PolarHBondContact N-OG 2.94Å; I293-S311 CarbonylContact O-C 3.57Å; I293-S311 VanDerWaalsContact O-CA 3.29Å; I293-S311 WeakPolarHBondContact O-CA 3.46Å; I293-S311 PolarHBondContact O-OG 2.85Å; I293-W312 HydrophobicContact CB-CB 4.41Å; I293-W312 WeakPolarHBondContact CD1-O 3.49Å; I293-W312 PolarHBondContact N-O 3.39Å; I293-W312 PolarHBondContact O-N 3.45Å
294F98.9Very high98.7Very high0 Ų043 Ų430%026%0.262CS..EExtended strand (participates in β ladder)trans-67.8126.4-179.6177.6-104.1000110.9L159 K258 V261 G274 Y275 T276 A296 L309 V310 S311L159-F294 HydrophobicContact CD1-CD2 3.96Å; L159-F294 HydrophobicContact CD2-CD2 4.41Å; K258-F294 HydrophobicContact CG-CE1 4.18Å; V261-F294 HydrophobicContact CB-CD1 4.24Å; V261-F294 HydrophobicContact CB-CG 4.46Å; V261-F294 HydrophobicContact CG1-CB 3.56Å; V261-F294 HydrophobicContact CG1-CD1 3.73Å; V261-F294 HydrophobicContact CG1-CD2 4.37Å; V261-F294 HydrophobicContact CG1-CG 3.63Å; G274-F294 PolarHBondContact O-N 3.47Å; Y275-F294 AromaticContact CD2-CD1 3.65Å; Y275-F294 HydrophobicContact CD2-CD1 3.65Å; Y275-F294 HydrophobicContact CD2-CE1 4.36Å; Y275-F294 AromaticContact CE2-CD1 3.72Å; Y275-F294 HydrophobicContact CE2-CD1 3.72Å; Y275-F294 AromaticContact CE2-CE1 3.97Å; Y275-F294 HydrophobicContact CE2-CE1 3.97Å; T276-F294 PolarHBondContact N-O 2.76Å; F294-A296 HydrophobicContact CD1-CB 4.25Å; F294-A296 HydrophobicContact CE1-CB 3.83Å; F294-L309 HydrophobicContact CE2-CB 4.05Å; F294-L309 HydrophobicContact CE2-CD2 3.95Å; F294-L309 HydrophobicContact CE2-CG 4.49Å; F294-L309 HydrophobicContact CZ-CD2 4.29Å; F294-V310 WeakPolarHBondContact CD2-O 3.24Å; F294-S311 PolarHBondContact N-OG 3.35Å
295D98.9Very high98.7Very high9 Ų942.1 Ų42.15%0.04826%0.255CS..EExtended strand (participates in β ladder)trans-97.9102.7177-171.1-33.6000108.9I293 G297 A298 V310 W312I293-D295 PolarHBondContact O-N 2.86Å; D295-G297 VanDerWaalsContact C-N 3.26Å; D295-G297 PolarHBondContact O-N 2.9Å; D295-G297 PolarHBondContact OD1-N 3.08Å; D295-A298 HydrophobicContact CB-CB 4Å; D295-A298 WeakPolarHBondContact OD1-CB 3.44Å; D295-A298 PolarHBondContact OD1-N 2.89Å; D295-V310 HydrophobicContact CB-CB 4.32Å; D295-V310 HydrophobicContact CB-CG1 4.19Å; D295-V310 PolarHBondContact N-O 2.96Å; D295-W312 PolarHBondContact OD2-NE1 2.86Å
296A98.8Very high98.7Very high9 Ų945.7 Ų45.77%0.07427%0.271CS..EExtended strand (participates in β ladder)trans-72.4-19.9-177.300000113.1Y254 K258 Y275 T276 E277 F294Y254-A296 WeakPolarHBondContact CE1-O 3.37Å; Y254-A296 PolarHBondContact OH-O 3Å; K258-A296 HydrophobicContact CD-CB 4.12Å; K258-A296 HydrophobicContact CG-CB 3.89Å; Y275-A296 HydrophobicContact CE2-CB 3.89Å; Y275-A296 WeakPolarHBondContact OH-CB 3.23Å; T276-A296 VanDerWaalsContact O-CB 3.3Å; T276-A296 WeakPolarHBondContact O-CB 3.4Å; T276-A296 PolarHBondContact O-N 2.87Å; E277-A296 HydrophobicContact CG-CB 3.76Å; F294-A296 HydrophobicContact CD1-CB 4.25Å; F294-A296 HydrophobicContact CE1-CB 3.83Å
297G98.6Very high98.7Very high50 Ų5042.5 Ų42.552%0.51525%0.253SS..EExtended strand (participates in β ladder)trans-87.8-28.317900000113.2D295D295-G297 VanDerWaalsContact C-N 3.26Å; D295-G297 PolarHBondContact O-N 2.9Å; D295-G297 PolarHBondContact OD1-N 3.08Å
298A98.8Very high98.8Very high51 Ų5144 Ų4442%0.42125%0.251SS..EExtended strand (participates in β ladder)trans-88.7-19.1-173.900000114.9D295 V310D295-A298 HydrophobicContact CB-CB 4Å; D295-A298 WeakPolarHBondContact OD1-CB 3.44Å; D295-A298 PolarHBondContact OD1-N 2.89Å; A298-V310 HydrophobicContact CB-CB 3.95Å; A298-V310 HydrophobicContact CB-CG1 3.97Å; A298-V310 HydrophobicContact CB-CG2 4.03Å
299G98.6Very high98.8Very high12 Ų1242.6 Ų42.612%0.12424%0.244CC..EExtended strand (participates in β ladder)trans-79.6169.5175.400000113.1Y254 K308Y254-G299 WeakPolarHBondContact OH-CA 3.35Å; Y254-G299 PolarHBondContact OH-N 2.8Å; G299-K308 CarbonylContact C-O 3.52Å; G299-K308 VanDerWaalsContact CA-O 3.26Å; G299-K308 WeakPolarHBondContact CA-O 3.37Å
300I98.8Very high98.8Very high111 Ų11141.1 Ų41.157%0.56923%0.232SC*.EExtended strand (participates in β ladder)trans-152.3138.2-177.9-172.2166.6000111K308I300-K308 HydrophobicContact CG2-CB 3.93Å; I300-K308 HydrophobicContact CG2-CD 4.28Å; I300-K308 PolarHBondContact N-O 3.37Å; I300-K308 PolarHBondContact O-N 2.86Å
301A98.8Very high98.8Very high38 Ų3837.7 Ų37.731%0.31422%0.22SC..EExtended strand (participates in β ladder)trans-99.4128.9171.400000110Y254 V307Y254-A301 HydrophobicContact CD2-CB 4.09Å; Y254-A301 HydrophobicContact CG-CB 4.45Å; A301-V307 HydrophobicContact CB-CG1 3.75Å
302L98.7Very high98.8Very high135 Ų13539.4 Ų39.471%0.70723%0.226SC*.EExtended strand (participates in β ladder)trans-79.1-41.9168.8179.363.7000110.3F306L302-F306 HydrophobicContact CB-CD1 4.07Å; L302-F306 HydrophobicContact CD2-CD1 3.79Å; L302-F306 HydrophobicContact CD2-CE1 4.36Å; L302-F306 PolarHBondContact N-O 2.82Å
303N98.8Very high98.8Very high79 Ų7939.6 Ų39.642%0.42223%0.226SC..EExtended strand (participates in β ladder)trans-156.2177.9173.460.260.9000108.7H305 F306N303-H305 PolarHBondContact O-N 2.91Å; N303-H305 WeakPolarHBondContact OD1-CA 3.37Å; N303-H305 PolarHBondContact OD1-N 2.92Å; N303-F306 PolarHBondContact N-O 2.9Å; N303-F306 PolarHBondContact O-N 2.9Å; N303-F306 VanDerWaalsContact O-N 3.16Å; N303-F306 PolarHBondContact OD1-N 3.05Å
304D98.8Very high98.8Very high55 Ų5539.6 Ų39.629%0.29423%0.226SC..THydrogen-bonded Turntrans-63.1-15.1-174.8-61-0.6000114.1P251 A252 K253P251-D304 CarbonylContact C-O 3.49Å; P251-D304 WeakPolarHBondContact CA-O 3.42Å; P251-D304 HydrophobicContact CB-CB 3.73Å; A252-D304 PolarHBondContact N-O 2.8Å; A252-D304 WeakPolarHBondContact O-CA 3.4Å; K253-D304 WeakPolarHBondContact CD-OD1 3.33Å; K253-D304 VanDerWaalsContact CE-OD2 3.24Å; K253-D304 WeakPolarHBondContact CE-OD2 3.44Å; K253-D304 IonicContact NZ-OD1 2.67Å; K253-D304 PolarHBondContact NZ-OD1 3.38Å; K253-D304 IonicContact NZ-OD2 3.12Å; K253-D304 PolarHBondContact NZ-OD2 2.71Å
305H98.8Very high98.8Very high76 Ų7640.1 Ų40.135%0.35223%0.229SC..THydrogen-bonded Turntrans-110.2-6.5179.1-74.3-85.9000113.9R247 L248 E249 P251 N303R247-H305 CarbonylContact C-O 3.56Å; R247-H305 VanDerWaalsContact CA-O 3.24Å; R247-H305 WeakPolarHBondContact CA-O 3.08Å; L248-H305 PolarHBondContact N-O 2.87Å; L248-H305 PolarHBondContact O-ND1 2.75Å; E249-H305 PolarHBondContact O-CE1 3.33Å; E249-H305 VanDerWaalsContact O-CE1 3.27Å; P251-H305 VanDerWaalsContact N-CE1 3.35Å; N303-H305 PolarHBondContact O-N 2.91Å; N303-H305 WeakPolarHBondContact OD1-CA 3.37Å; N303-H305 PolarHBondContact OD1-N 2.92Å
306F98.9Very high98.8Very high82 Ų8240.3 Ų40.336%0.3623%0.23SC..EExtended strand (participates in β ladder)trans-138.7110.2-174.5-167.7-116.2000111.2T245 V246 R247 L302 N303T245-F306 HydrophobicContact CG2-CE1 4.08Å; T245-F306 HydrophobicContact CG2-CE2 3.72Å; T245-F306 HydrophobicContact CG2-CZ 3.38Å; V246-F306 WeakPolarHBondContact O-CD2 3.47Å; R247-F306 HydrophobicContact CB-CD2 4.19Å; L302-F306 HydrophobicContact CB-CD1 4.07Å; L302-F306 HydrophobicContact CD2-CD1 3.79Å; L302-F306 HydrophobicContact CD2-CE1 4.36Å; L302-F306 PolarHBondContact N-O 2.82Å; N303-F306 PolarHBondContact N-O 2.9Å; N303-F306 PolarHBondContact O-N 2.9Å; N303-F306 VanDerWaalsContact O-N 3.16Å; N303-F306 PolarHBondContact OD1-N 3.05Å
307V98.9Very high98.8Very high2 Ų241.2 Ų41.21%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-134.8151.1-169.1-57.50000111.7T245 V246 L248 I257 A301 L309T245-V307 WeakPolarHBondContact CA-O 3.34Å; V246-V307 HydrophobicContact CG2-CG2 3.69Å; V246-V307 PolarHBondContact N-O 2.95Å; V246-V307 PolarHBondContact O-N 2.9Å; V246-V307 VanDerWaalsContact O-N 3.11Å; L248-V307 HydrophobicContact CD1-CG2 4.15Å; L248-V307 HydrophobicContact CG-CG2 4.37Å; I257-V307 HydrophobicContact CD1-CB 4.36Å; I257-V307 HydrophobicContact CD1-CG1 3.87Å; I257-V307 HydrophobicContact CD1-CG2 4.1Å; A301-V307 HydrophobicContact CB-CG1 3.75Å; V307-L309 HydrophobicContact CB-CD2 4.44Å; V307-L309 HydrophobicContact CG2-CD1 4.42Å; V307-L309 HydrophobicContact CG2-CD2 4.07Å; V307-L309 HydrophobicContact CG2-CG 4.1Å
308K98.9Very high98.8Very high63 Ų6338.8 Ų38.827%0.27421%0.207SC..EExtended strand (participates in β ladder)trans-110.5125.3168.7178.9179.5-66.8-70.50109D243 L244 T245 G299 I300D243-K308 VanDerWaalsContact OD1-CG 3.3Å; D243-K308 WeakPolarHBondContact OD1-CG 3.42Å; D243-K308 IonicContact OD1-NZ 3.4Å; D243-K308 PolarHBondContact OD1-NZ 3.38Å; D243-K308 IonicContact OD2-NZ 3.42Å; D243-K308 PolarHBondContact OD2-NZ 2.86Å; L244-K308 CarbonylContact O-C 3.6Å; L244-K308 WeakPolarHBondContact O-CA 3.19Å; T245-K308 PolarHBondContact OG1-NZ 3.19Å; G299-K308 CarbonylContact C-O 3.52Å; G299-K308 VanDerWaalsContact CA-O 3.26Å; G299-K308 WeakPolarHBondContact CA-O 3.37Å; I300-K308 HydrophobicContact CG2-CB 3.93Å; I300-K308 HydrophobicContact CG2-CD 4.28Å; I300-K308 PolarHBondContact N-O 3.37Å; I300-K308 PolarHBondContact O-N 2.86Å
309L98.9Very high98.8Very high0 Ų036.9 Ų36.90%019%0.189CC..EExtended strand (participates in β ladder)trans-117.9135-177.8-55179.6000109.4L159 I163 L244 V246 Y254 I257 F294 V307L159-L309 HydrophobicContact CD2-CB 4.16Å; I163-L309 HydrophobicContact CD1-CD1 3.67Å; I163-L309 HydrophobicContact CG1-CD1 3.6Å; L244-L309 HydrophobicContact CB-CB 4.48Å; L244-L309 PolarHBondContact N-O 3.42Å; L244-L309 PolarHBondContact O-N 2.97Å; V246-L309 HydrophobicContact CG2-CD1 4.39Å; Y254-L309 HydrophobicContact CE2-CD2 3.96Å; I257-L309 HydrophobicContact CG2-CD2 3.96Å; F294-L309 HydrophobicContact CE2-CB 4.05Å; F294-L309 HydrophobicContact CE2-CD2 3.95Å; F294-L309 HydrophobicContact CE2-CG 4.49Å; F294-L309 HydrophobicContact CZ-CD2 4.29Å; V307-L309 HydrophobicContact CB-CD2 4.44Å; V307-L309 HydrophobicContact CG2-CD1 4.42Å; V307-L309 HydrophobicContact CG2-CD2 4.07Å; V307-L309 HydrophobicContact CG2-CG 4.1Å
310V98.9Very high98.9Very high17 Ų1736.3 Ų36.310%0.10318%0.183CC..EExtended strand (participates in β ladder)trans-114.3133.2-176.9179.80000109.2V241 V242 F294 D295 A298V241-V310 HydrophobicContact CG2-CG1 3.43Å; V241-V310 VanDerWaalsContact CG2-CG1 3.43Å; V242-V310 WeakPolarHBondContact O-CA 3.42Å; F294-V310 WeakPolarHBondContact CD2-O 3.24Å; D295-V310 HydrophobicContact CB-CB 4.32Å; D295-V310 HydrophobicContact CB-CG1 4.19Å; D295-V310 PolarHBondContact N-O 2.96Å; A298-V310 HydrophobicContact CB-CB 3.95Å; A298-V310 HydrophobicContact CB-CG1 3.97Å; A298-V310 HydrophobicContact CB-CG2 4.03Å
311S98.9Very high98.9Very high0 Ų032 Ų320%016%0.162CC..EExtended strand (participates in β ladder)trans-142.8127.7175.4-168.10000112.5V241 V242 S292 I293 F294V241-S311 WeakPolarHBondContact CA-O 3.33Å; V241-S311 WeakPolarHBondContact CG2-O 3.25Å; V242-S311 PolarHBondContact N-O 2.91Å; V242-S311 PolarHBondContact O-N 3.14Å; S292-S311 PolarHBondContact OG-OG 2.87Å; I293-S311 PolarHBondContact N-OG 2.94Å; I293-S311 CarbonylContact O-C 3.57Å; I293-S311 VanDerWaalsContact O-CA 3.29Å; I293-S311 WeakPolarHBondContact O-CA 3.46Å; I293-S311 PolarHBondContact O-OG 2.85Å; F294-S311 PolarHBondContact N-OG 3.35Å
312W98.9Very high98.9Very high39 Ų3930.5 Ų30.515%0.14815%0.148CC..EExtended strand (participates in β ladder)trans-84.6154.5179-64.697.4000111.8V239 V241 F285 S292 I293 D295V239-W312 HydrophobicContact CG1-CE3 3.95Å; V239-W312 HydrophobicContact CG1-CZ3 4.43Å; V241-W312 HydrophobicContact CB-CD2 4.07Å; V241-W312 HydrophobicContact CB-CE3 3.67Å; V241-W312 HydrophobicContact CB-CH2 4.34Å; V241-W312 HydrophobicContact CB-CZ3 3.79Å; V241-W312 HydrophobicContact CG1-CZ3 4.18Å; V241-W312 HydrophobicContact CG2-CD2 3.99Å; V241-W312 HydrophobicContact CG2-CE3 4.12Å; V241-W312 HydrophobicContact CG2-CG 4.41Å; V241-W312 HydrophobicContact CG2-CZ3 4.4Å; F285-W312 HydrophobicContact CD1-CB 4.16Å; F285-W312 HydrophobicContact CD2-CB 3.74Å; F285-W312 AromaticContact CD2-CD2 3.86Å; F285-W312 HydrophobicContact CD2-CD2 3.86Å; F285-W312 HydrophobicContact CD2-CE3 4.09Å; F285-W312 AromaticContact CD2-CG 3.73Å; F285-W312 HydrophobicContact CD2-CG 3.73Å; F285-W312 HydrophobicContact CE1-CB 4.01Å; F285-W312 HydrophobicContact CE1-CG 4.3Å; F285-W312 HydrophobicContact CE2-CB 3.58Å; F285-W312 AromaticContact CE2-CD1 3.39Å; F285-W312 AromaticContact CE2-CD2 3.44Å; F285-W312 HydrophobicContact CE2-CD2 3.44Å; F285-W312 VanDerWaalsContact CE2-CD2 3.44Å; F285-W312 AromaticContact CE2-CE2 3.81Å; F285-W312 HydrophobicContact CE2-CE3 4.11Å; F285-W312 AromaticContact CE2-CG 3.18Å; F285-W312 HydrophobicContact CE2-CG 3.18Å; F285-W312 AromaticContact CE2-NE1 3.74Å; F285-W312 HydrophobicContact CG-CB 4.01Å; F285-W312 HydrophobicContact CG-CG 4.46Å; F285-W312 HydrophobicContact CZ-CB 3.7Å; F285-W312 AromaticContact CZ-CD1 3.37Å; F285-W312 HydrophobicContact CZ-CD2 4.22Å; F285-W312 AromaticContact CZ-CG 3.49Å; F285-W312 HydrophobicContact CZ-CG 3.49Å; F285-W312 VanDerWaalsContact CZ-CG 3.49Å; S292-W312 CarbonylContact C-O 3.41Å; S292-W312 WeakPolarHBondContact CA-O 3.15Å; I293-W312 HydrophobicContact CB-CB 4.41Å; I293-W312 WeakPolarHBondContact CD1-O 3.49Å; I293-W312 PolarHBondContact N-O 3.39Å; I293-W312 PolarHBondContact O-N 3.45Å; D295-W312 PolarHBondContact OD2-NE1 2.86Å
313Y98.9Very high98.9Very high3 Ų324.1 Ų24.11%0.01211%0.114CC..EExtended strand (participates in β ladder)trans-156.4135.2170.563.3-74.5000111.5C151 T152 C155 T176 H178 S240 V242 S291 N315C151-Y313 HydrophobicContact CB-CD2 4.19Å; C151-Y313 HydrophobicContact CB-CE2 3.84Å; T152-Y313 PolarHBondContact OG1-OH 3.18Å; C155-Y313 HydrophobicContact CB-CD1 3.51Å; C155-Y313 HydrophobicContact CB-CD2 4.19Å; C155-Y313 HydrophobicContact CB-CE1 4.04Å; C155-Y313 HydrophobicContact CB-CG 3.6Å; C155-Y313 WeakPolarHBondContact SG-CD1 3.47Å; T176-Y313 PolarHBondContact OG1-OH 3.41Å; H178-Y313 PolarHBondContact CD2-OH 2.9Å; H178-Y313 PolarHBondContact NE2-OH 3.34Å; S240-Y313 VanDerWaalsContact CB-CE1 3.46Å; S240-Y313 WeakPolarHBondContact CB-OH 3.33Å; S240-Y313 PolarHBondContact N-O 3.02Å; S240-Y313 VanDerWaalsContact O-CD1 3.31Å; S240-Y313 WeakPolarHBondContact O-CD1 3.4Å; S240-Y313 PolarHBondContact O-N 3.05Å; V242-Y313 HydrophobicContact CG2-CD1 4.34Å; V242-Y313 HydrophobicContact CG2-CE1 3.83Å; S291-Y313 VanDerWaalsContact O-CB 3.28Å; S291-Y313 WeakPolarHBondContact O-CB 3.27Å; Y313-N315 HydrophobicContact CD2-CB 3.83Å; Y313-N315 HydrophobicContact CE2-CB 3.56Å; Y313-N315 PolarHBondContact O-N 3.02Å; Y313-N315 VanDerWaalsContact O-N 3.09Å
314D98.9Very high98.9Very high1 Ų120.5 Ų20.51%0.00510%0.095CC..  trans-71.6101.7161.6-168.7-43000108.2H51 N238 V239 G287 E316 F317 G318H51-D314 IonicContact CE1-OD2 2.72Å; H51-D314 PolarHBondContact CE1-OD2 2.95Å; N238-D314 PolarHBondContact ND2-OD1 2.8Å; N238-D314 PolarHBondContact ND2-OD2 3.49Å; N238-D314 PolarHBondContact OD1-OD1 3.22Å; V239-D314 HydrophobicContact CG2-CB 4.37Å; G287-D314 PolarHBondContact N-OD2 3.19Å; D314-E316 PolarHBondContact O-N 3.49Å; D314-E316 VanDerWaalsContact O-N 3.11Å; D314-E316 PolarHBondContact OD1-N 3.28Å; D314-F317 HydrophobicContact CB-CB 4.2Å; D314-F317 PolarHBondContact OD1-N 3.1Å; D314-G318 PolarHBondContact O-N 3.44Å; D314-G318 VanDerWaalsContact O-N 3.11Å
315N98.8Very high98.9Very high10 Ų1018.9 Ų18.95%0.0539%0.086CC..THydrogen-bonded Turntrans-64-15.3-176.151-95.9000113.8C151 N238 V239 S240 Y313C151-N315 HydrophobicContact CB-CB 3.97Å; C151-N315 WeakPolarHBondContact CB-O 3.4Å; N238-N315 PolarHBondContact OD1-ND2 3.36Å; N238-N315 PolarHBondContact OD1-OD1 3.32Å; V239-N315 VanDerWaalsContact C-OD1 3.3Å; V239-N315 WeakPolarHBondContact CA-OD1 3.35Å; V239-N315 PolarHBondContact N-OD1 2.81Å; S240-N315 PolarHBondContact N-OD1 3.43Å; S240-N315 PolarHBondContact OG-OD1 3.16Å; Y313-N315 HydrophobicContact CD2-CB 3.83Å; Y313-N315 HydrophobicContact CE2-CB 3.56Å; Y313-N315 PolarHBondContact O-N 3.02Å; Y313-N315 VanDerWaalsContact O-N 3.09Å
316E98.9Very high98.9Very high14 Ų1415.2 Ų15.27%0.0657%0.07CC..THydrogen-bonded Turntrans-101.4-55175.9-58-173.5140.200111.7R11 L15 H51 N238 D314 S320R11-E316 WeakPolarHBondContact CG-OE1 3.24Å; R11-E316 IonicContact CZ-OE1 3.28Å; R11-E316 IonicContact CZ-OE2 2.9Å; R11-E316 IonicContact NE-OE1 3.12Å; R11-E316 PolarHBondContact NE-OE1 2.68Å; R11-E316 IonicContact NE-OE2 3.31Å; R11-E316 PolarHBondContact NE-OE2 2.88Å; R11-E316 IonicContact NH2-OE1 2.65Å; R11-E316 IonicContact NH2-OE2 2.85Å; R11-E316 PolarHBondContact NH2-OE2 3.29Å; L15-E316 HydrophobicContact CD1-CB 3.44Å; L15-E316 VanDerWaalsContact CD1-CB 3.44Å; L15-E316 HydrophobicContact CD1-CG 4.31Å; H51-E316 IonicContact CD2-OE2 3.01Å; H51-E316 IonicContact NE2-OE2 3.76Å; H51-E316 PolarHBondContact NE2-OE2 3.02Å; N238-E316 WeakPolarHBondContact OD1-CG 3.29Å; D314-E316 PolarHBondContact O-N 3.49Å; D314-E316 VanDerWaalsContact O-N 3.11Å; D314-E316 PolarHBondContact OD1-N 3.28Å; E316-S320 VanDerWaalsContact O-CB 3.25Å; E316-S320 WeakPolarHBondContact O-CB 3.12Å; E316-S320 PolarHBondContact O-N 2.92Å; E316-S320 PolarHBondContact O-OG 2.89Å
317F98.8Very high98.9Very high27 Ų2711.3 Ų11.312%0.1185%0.053CC..Hα-helixtrans-78.9-46.3-169.6-158.2-103.8000112.7L15 G287 D314 Y319 S320 N321L15-F317 HydrophobicContact CD2-CD2 4.27Å; G287-F317 VanDerWaalsContact C-CD1 3.43Å; G287-F317 WeakPolarHBondContact O-CD1 3.33Å; G287-F317 VanDerWaalsContact O-CE1 3.23Å; G287-F317 WeakPolarHBondContact O-CE1 3.48Å; D314-F317 HydrophobicContact CB-CB 4.2Å; D314-F317 PolarHBondContact OD1-N 3.1Å; F317-Y319 VanDerWaalsContact C-N 3.31Å; F317-Y319 PolarHBondContact O-N 3.41Å; F317-S320 PolarHBondContact O-N 3.11Å; F317-N321 WeakPolarHBondContact CD1-ND2 3.37Å; F317-N321 VanDerWaalsContact CE1-ND2 3.31Å; F317-N321 WeakPolarHBondContact CE1-ND2 3.47Å; F317-N321 PolarHBondContact O-N 3.12Å; F317-N321 PolarHBondContact O-ND2 3.39Å
318G98.8Very high98.8Very high0 Ų014.3 Ų14.30%07%0.066CC..Hα-helixtrans-59.2-45.2175.300000111.1D288 D314 N321 R322D288-G318 PolarHBondContact O-N 3.32Å; D314-G318 PolarHBondContact O-N 3.44Å; D314-G318 VanDerWaalsContact O-N 3.11Å; G318-N321 PolarHBondContact O-N 3.37Å; G318-R322 WeakPolarHBondContact O-CG 3.24Å; G318-R322 PolarHBondContact O-N 3.12Å; G318-R322 VanDerWaalsContact O-N 3.13Å
319Y98.9Very high98.8Very high11 Ų1112.9 Ų12.94%0.0436%0.061CC..Hα-helixtrans-62.7-44.5175.9-174-100000112.9I12 S121 A122 N148 A149 C151 F317 N321 R322 V323I12-Y319 HydrophobicContact CD1-CD1 4.09Å; I12-Y319 HydrophobicContact CG2-CD1 4.36Å; I12-Y319 HydrophobicContact CG2-CE1 4.37Å; S121-Y319 VanDerWaalsContact CA-OH 3.27Å; S121-Y319 WeakPolarHBondContact CA-OH 3.46Å; S121-Y319 PolarHBondContact O-OH 3.31Å; S121-Y319 VanDerWaalsContact O-OH 3.12Å; A122-Y319 PolarHBondContact N-OH 2.77Å; N148-Y319 HydrophobicContact CB-CE2 4.42Å; N148-Y319 WeakPolarHBondContact ND2-CE2 3.36Å; N148-Y319 VanDerWaalsContact O-CE2 3.32Å; N148-Y319 WeakPolarHBondContact O-CE2 3.27Å; A149-Y319 PolarHBondContact O-OH 2.96Å; C151-Y319 HydrophobicContact CB-CD2 4.15Å; C151-Y319 HydrophobicContact CB-CG 4.27Å; F317-Y319 VanDerWaalsContact C-N 3.31Å; F317-Y319 PolarHBondContact O-N 3.41Å; Y319-N321 VanDerWaalsContact C-N 3.32Å; Y319-N321 PolarHBondContact O-N 3.17Å; Y319-R322 WeakPolarHBondContact O-CA 3.37Å; Y319-R322 WeakPolarHBondContact O-CB 3.37Å; Y319-R322 PolarHBondContact O-N 3.32Å; Y319-V323 HydrophobicContact CD1-CG2 4.24Å; Y319-V323 HydrophobicContact CE1-CG2 3.9Å; Y319-V323 PolarHBondContact O-N 2.53Å
320S98.9Very high98.8Very high0 Ų012.9 Ų12.90%06%0.061CC..Hα-helixtrans-61.8-39.2179.1-63.30000112.3L15 E316 F317 R322 V323 C324L15-S320 WeakPolarHBondContact CB-OG 3.13Å; E316-S320 VanDerWaalsContact O-CB 3.25Å; E316-S320 WeakPolarHBondContact O-CB 3.12Å; E316-S320 PolarHBondContact O-N 2.92Å; E316-S320 PolarHBondContact O-OG 2.89Å; F317-S320 PolarHBondContact O-N 3.11Å; S320-R322 VanDerWaalsContact C-N 3.33Å; S320-R322 PolarHBondContact O-N 3.08Å; S320-V323 WeakPolarHBondContact O-CB 3.32Å; S320-V323 PolarHBondContact O-N 3.44Å; S320-C324 PolarHBondContact O-N 3.39Å
321N98.9Very high98.7Very high21 Ų2115.7 Ų15.711%0.1127%0.071CC..Hα-helixtrans-63.5-38.3173-80.2-90.4000111.7F317 G318 Y319 V323 C324 D325F317-N321 WeakPolarHBondContact CD1-ND2 3.37Å; F317-N321 VanDerWaalsContact CE1-ND2 3.31Å; F317-N321 WeakPolarHBondContact CE1-ND2 3.47Å; F317-N321 PolarHBondContact O-N 3.12Å; F317-N321 PolarHBondContact O-ND2 3.39Å; G318-N321 PolarHBondContact O-N 3.37Å; Y319-N321 VanDerWaalsContact C-N 3.32Å; Y319-N321 PolarHBondContact O-N 3.17Å; N321-V323 VanDerWaalsContact C-N 3.32Å; N321-V323 PolarHBondContact O-N 3.02Å; N321-C324 WeakPolarHBondContact O-CB 3.22Å; N321-C324 PolarHBondContact O-N 3.34Å; N321-D325 PolarHBondContact O-N 2.7Å
322R98.9Very high98.6Very high6 Ų619.2 Ų19.22%0.02310%0.096CC..Hα-helixtrans-63.9-33.7174.4-67.8-54.189.465.22.9113.6S289 S291 G318 Y319 S320 D325 L326S289-R322 PolarHBondContact O-NH1 2.89Å; S289-R322 PolarHBondContact O-NH2 3.09Å; S291-R322 WeakPolarHBondContact OG-CD 3.32Å; S291-R322 WeakPolarHBondContact OG-CG 3.49Å; S291-R322 PolarHBondContact OG-NH1 3.41Å; G318-R322 WeakPolarHBondContact O-CG 3.24Å; G318-R322 PolarHBondContact O-N 3.12Å; G318-R322 VanDerWaalsContact O-N 3.13Å; Y319-R322 WeakPolarHBondContact O-CA 3.37Å; Y319-R322 WeakPolarHBondContact O-CB 3.37Å; Y319-R322 PolarHBondContact O-N 3.32Å; S320-R322 VanDerWaalsContact C-N 3.33Å; S320-R322 PolarHBondContact O-N 3.08Å; R322-D325 IonicContact CZ-OD2 3.33Å; R322-D325 IonicContact NE-OD2 3.02Å; R322-D325 PolarHBondContact NE-OD2 2.87Å; R322-D325 IonicContact NH2-OD2 2.81Å; R322-D325 PolarHBondContact NH2-OD2 3.48Å; R322-D325 PolarHBondContact O-N 2.8Å; R322-L326 WeakPolarHBondContact O-CB 3.43Å; R322-L326 PolarHBondContact O-N 3.25Å
323V98.9Very high98.4Very high0 Ų022.8 Ų22.80%011%0.113CC..Hα-helixtrans-62.1-47.9172.4179.50000110.3V16 V95 V119 N148 Y319 S320 N321 D325 L326 V327V16-V323 HydrophobicContact CG1-CG1 4.43Å; V16-V323 HydrophobicContact CG2-CB 4.01Å; V16-V323 HydrophobicContact CG2-CG1 4.19Å; V16-V323 HydrophobicContact CG2-CG2 4.29Å; V95-V323 HydrophobicContact CB-CG1 4.42Å; V95-V323 HydrophobicContact CG1-CG1 3.78Å; V95-V323 HydrophobicContact CG2-CG1 3.73Å; V119-V323 HydrophobicContact CG1-CG1 4.31Å; N148-V323 HydrophobicContact CB-CG2 4.33Å; Y319-V323 HydrophobicContact CD1-CG2 4.24Å; Y319-V323 HydrophobicContact CE1-CG2 3.9Å; Y319-V323 PolarHBondContact O-N 2.53Å; S320-V323 WeakPolarHBondContact O-CB 3.32Å; S320-V323 PolarHBondContact O-N 3.44Å; N321-V323 VanDerWaalsContact C-N 3.32Å; N321-V323 PolarHBondContact O-N 3.02Å; V323-D325 VanDerWaalsContact C-N 3.33Å; V323-D325 PolarHBondContact O-N 2.79Å; V323-L326 PolarHBondContact O-N 2.86Å; V323-V327 WeakPolarHBondContact O-CG2 3.28Å; V323-V327 PolarHBondContact O-N 3.16Å
324C98.8Very high98Very high4 Ų428.2 Ų28.23%0.02714%0.138CC..Hα-helixtrans-60-42.9176-63.30000112V26 S320 N321 V327 Q328V26-C324 HydrophobicContact CG2-CB 4.2Å; S320-C324 PolarHBondContact O-N 3.39Å; N321-C324 WeakPolarHBondContact O-CB 3.22Å; N321-C324 PolarHBondContact O-N 3.34Å; C324-V327 PolarHBondContact O-N 3.03Å; C324-Q328 WeakPolarHBondContact O-CB 3.38Å; C324-Q328 PolarHBondContact O-N 2.8Å
325D98.7Very high97.9Very high20 Ų2029.6 Ų29.611%0.10715%0.145CC..Hα-helixtrans-64.6-42.2179.2-67.2-21.8000112.2K25 M132 N321 R322 V323 Q328 H329K25-D325 VanDerWaalsContact CD-OD1 3.26Å; K25-D325 WeakPolarHBondContact CD-OD1 3.42Å; K25-D325 WeakPolarHBondContact CE-OD1 3.23Å; K25-D325 IonicContact NZ-OD1 2.97Å; K25-D325 PolarHBondContact NZ-OD1 2.89Å; K25-D325 IonicContact NZ-OD2 3.77Å; M132-D325 HydrophobicContact CE-CB 4.24Å; M132-D325 HydrophobicContact CG-CB 4.05Å; N321-D325 PolarHBondContact O-N 2.7Å; R322-D325 IonicContact CZ-OD2 3.33Å; R322-D325 IonicContact NE-OD2 3.02Å; R322-D325 PolarHBondContact NE-OD2 2.87Å; R322-D325 IonicContact NH2-OD2 2.81Å; R322-D325 PolarHBondContact NH2-OD2 3.48Å; R322-D325 PolarHBondContact O-N 2.8Å; V323-D325 VanDerWaalsContact C-N 3.33Å; V323-D325 PolarHBondContact O-N 2.79Å; D325-Q328 PolarHBondContact O-N 2.92Å; D325-H329 WeakPolarHBondContact O-CB 3.41Å; D325-H329 PolarHBondContact O-N 2.93Å
326L98.8Very high97.9Very high0 Ų030.6 Ų30.60%015%0.15CC..Hα-helixtrans-64.5-45.7177.4178.760.4000111V119 F130 M132 V146 N148 R322 V323 Q328 H329 M330V119-L326 HydrophobicContact CG1-CD2 3.91Å; F130-L326 HydrophobicContact CB-CD1 3.84Å; F130-L326 HydrophobicContact CB-CD2 4.21Å; F130-L326 HydrophobicContact CG-CD1 4.34Å; M132-L326 HydrophobicContact CG-CB 4.41Å; M132-L326 HydrophobicContact SD-CB 4.01Å; M132-L326 HydrophobicContact SD-CD1 3.94Å; V146-L326 HydrophobicContact CG2-CD2 4.3Å; N148-L326 HydrophobicContact CB-CD2 3.86Å; R322-L326 WeakPolarHBondContact O-CB 3.43Å; R322-L326 PolarHBondContact O-N 3.25Å; V323-L326 PolarHBondContact O-N 2.86Å; L326-Q328 VanDerWaalsContact C-N 3.34Å; L326-Q328 PolarHBondContact O-N 3.14Å; L326-H329 PolarHBondContact O-N 3.01Å; L326-M330 HydrophobicContact CD1-CG 4.22Å; L326-M330 HydrophobicContact CD1-SD 4.32Å; L326-M330 HydrophobicContact CG-CG 4.45Å; L326-M330 HydrophobicContact CG-SD 4.03Å; L326-M330 VanDerWaalsContact O-CG 3.24Å; L326-M330 WeakPolarHBondContact O-CG 3.41Å; L326-M330 PolarHBondContact O-N 3.18Å
327V98.7Very high97.8Very high0 Ų031.6 Ų31.60%016%0.155CC..Hα-helixtrans-60.5-45.4176.9171.90000111V2 I4 V26 Y93 V119 V323 C324 H329 M330 F331V2-V327 HydrophobicContact CG1-CG1 3.77Å; V2-V327 HydrophobicContact CG2-CG1 4.05Å; I4-V327 HydrophobicContact CG2-CG1 3.75Å; V26-V327 HydrophobicContact CG1-CB 4.35Å; V26-V327 HydrophobicContact CG1-CG1 4.11Å; Y93-V327 HydrophobicContact CD1-CB 4.47Å; Y93-V327 HydrophobicContact CD1-CG1 3.77Å; Y93-V327 HydrophobicContact CD1-CG2 4.37Å; Y93-V327 HydrophobicContact CE1-CG1 4.38Å; Y93-V327 HydrophobicContact CG-CG1 3.96Å; V119-V327 HydrophobicContact CB-CG2 4.32Å; V119-V327 HydrophobicContact CG2-CG2 3.71Å; V323-V327 WeakPolarHBondContact O-CG2 3.28Å; V323-V327 PolarHBondContact O-N 3.16Å; C324-V327 PolarHBondContact O-N 3.03Å; V327-H329 VanDerWaalsContact C-N 3.34Å; V327-H329 PolarHBondContact O-N 2.9Å; V327-M330 PolarHBondContact O-N 2.91Å; V327-F331 WeakPolarHBondContact O-CB 3.36Å; V327-F331 PolarHBondContact O-N 2.89Å
328Q98.2Very high97.8Very high64 Ų6431.8 Ų31.830%0.29916%0.157SC..Hα-helixtrans-63.3-40177.4179.254.939.600112.1K25 V26 C324 D325 L326 F331 S332K25-Q328 PolarHBondContact O-OE1 2.86Å; V26-Q328 HydrophobicContact CG1-CB 4.37Å; C324-Q328 WeakPolarHBondContact O-CB 3.38Å; C324-Q328 PolarHBondContact O-N 2.8Å; D325-Q328 PolarHBondContact O-N 2.92Å; L326-Q328 VanDerWaalsContact C-N 3.34Å; L326-Q328 PolarHBondContact O-N 3.14Å; Q328-F331 PolarHBondContact O-N 3.12Å; Q328-S332 PolarHBondContact O-N 3.11Å
329H98.4Very high97.7Very high34 Ų3433.8 Ų33.816%0.15717%0.167CC..Hα-helixtrans-63.1-49.1175.3174.880.2000111.4M132 Q136 D325 L326 V327 F331 S332 K333M132-H329 HydrophobicContact CE-CB 3.79Å; M132-H329 HydrophobicContact SD-CB 4.46Å; Q136-H329 PolarHBondContact O-NE2 3.31Å; D325-H329 WeakPolarHBondContact O-CB 3.41Å; D325-H329 PolarHBondContact O-N 2.93Å; L326-H329 PolarHBondContact O-N 3.01Å; V327-H329 VanDerWaalsContact C-N 3.34Å; V327-H329 PolarHBondContact O-N 2.9Å; H329-F331 VanDerWaalsContact C-N 3.3Å; H329-F331 PolarHBondContact O-N 2.93Å; H329-S332 PolarHBondContact O-N 3.03Å; H329-S332 VanDerWaalsContact O-N 3.12Å; H329-S332 PolarHBondContact O-OG 3.23Å; H329-K333 PolarHBondContact O-N 3.05Å
330M98.4Very high97.6Very high0 Ų035.3 Ų35.30%018%0.175CC..Hα-helixtrans-57.2-45.3176.8-68.5168.372.800111.3Y93 R117 V119 Y139 V146 L326 V327 S332 K333Y93-M330 HydrophobicContact CD1-CE 4.36Å; Y93-M330 HydrophobicContact CE1-CB 3.63Å; Y93-M330 HydrophobicContact CE1-CE 3.72Å; Y93-M330 HydrophobicContact CE1-CG 4.46Å; Y93-M330 HydrophobicContact CE1-SD 4.02Å; R117-M330 HydrophobicContact CB-CE 4.28Å; R117-M330 HydrophobicContact CG-CE 4.36Å; V119-M330 HydrophobicContact CG2-CE 4.25Å; V119-M330 HydrophobicContact CG2-SD 3.69Å; Y139-M330 HydrophobicContact CD1-CB 4.32Å; Y139-M330 HydrophobicContact CD1-CG 4.04Å; Y139-M330 HydrophobicContact CD2-CE 4.38Å; Y139-M330 HydrophobicContact CD2-CG 3.93Å; Y139-M330 HydrophobicContact CE1-CB 3.79Å; Y139-M330 HydrophobicContact CE1-CG 3.84Å; Y139-M330 HydrophobicContact CE2-CB 4.4Å; Y139-M330 HydrophobicContact CE2-CE 3.52Å; Y139-M330 HydrophobicContact CE2-CG 3.75Å; Y139-M330 HydrophobicContact CE2-SD 4.28Å; Y139-M330 HydrophobicContact CG-CG 4.08Å; V146-M330 HydrophobicContact CG1-CE 4.14Å; V146-M330 HydrophobicContact CG2-CE 3.64Å; V146-M330 HydrophobicContact CG2-SD 3.64Å; L326-M330 HydrophobicContact CD1-CG 4.22Å; L326-M330 HydrophobicContact CD1-SD 4.32Å; L326-M330 HydrophobicContact CG-CG 4.45Å; L326-M330 HydrophobicContact CG-SD 4.03Å; L326-M330 VanDerWaalsContact O-CG 3.24Å; L326-M330 WeakPolarHBondContact O-CG 3.41Å; L326-M330 PolarHBondContact O-N 3.18Å; V327-M330 PolarHBondContact O-N 2.91Å; M330-S332 VanDerWaalsContact C-N 3.29Å; M330-S332 PolarHBondContact O-N 2.83Å; M330-K333 WeakPolarHBondContact O-CB 3.49Å; M330-K333 PolarHBondContact O-N 3.27Å
331F97.6Very high97.5Very high75 Ų7537.9 Ų37.933%0.32919%0.187SC..Hα-helixtrans-62.3-34.9177.9-178.2-108.7000112.9V2 Y93 V327 Q328 H329 K333 E334V2-F331 HydrophobicContact CB-CB 3.93Å; V2-F331 HydrophobicContact CB-CD1 3.9Å; V2-F331 HydrophobicContact CB-CD2 3.79Å; V2-F331 HydrophobicContact CB-CE1 4.35Å; V2-F331 HydrophobicContact CB-CE2 4.25Å; V2-F331 HydrophobicContact CB-CG 3.59Å; V2-F331 HydrophobicContact CG1-CB 4.29Å; V2-F331 HydrophobicContact CG1-CG 4.37Å; V2-F331 HydrophobicContact CG2-CB 4.1Å; V2-F331 HydrophobicContact CG2-CD2 3.8Å; V2-F331 HydrophobicContact CG2-CE2 4.42Å; V2-F331 HydrophobicContact CG2-CG 3.97Å; Y93-F331 HydrophobicContact CE2-CD2 4.31Å; Y93-F331 PolarHBondContact OH-N 3.05Å; V327-F331 WeakPolarHBondContact O-CB 3.36Å; V327-F331 PolarHBondContact O-N 2.89Å; Q328-F331 PolarHBondContact O-N 3.12Å; H329-F331 VanDerWaalsContact C-N 3.3Å; H329-F331 PolarHBondContact O-N 2.93Å; F331-K333 PolarHBondContact O-N 2.96Å; F331-E334 PolarHBondContact O-N 3.3Å
332S96.9Very high97.4Very high75 Ų7539.2 Ų39.252%0.52419%0.193SC..THydrogen-bonded Turntrans-67.7-9.6175.677.80000114.5Q328 H329 M330Q328-S332 PolarHBondContact O-N 3.11Å; H329-S332 PolarHBondContact O-N 3.03Å; H329-S332 VanDerWaalsContact O-N 3.12Å; H329-S332 PolarHBondContact O-OG 3.23Å; M330-S332 VanDerWaalsContact C-N 3.29Å; M330-S332 PolarHBondContact O-N 2.83Å
333K95.5Very high97.3Very high114 Ų11441.9 Ų41.950%0.49621%0.207SC..THydrogen-bonded Turntrans-104.8-0.7178.5-58.7-62-176.91800113.3Y139 H329 M330 F331Y139-K333 HydrophobicContact CD1-CB 4.26Å; Y139-K333 HydrophobicContact CD1-CG 4.23Å; Y139-K333 HydrophobicContact CE1-CB 4.15Å; H329-K333 PolarHBondContact O-N 3.05Å; M330-K333 WeakPolarHBondContact O-CB 3.49Å; M330-K333 PolarHBondContact O-N 3.27Å; F331-K333 PolarHBondContact O-N 2.96Å
334E88.9Confident97.2Very high117 Ų11745.7 Ų45.755%0.54723%0.226SC..  trans-72.50175.4-62.4-72.3-175.800111.8Y93 R117 F331Y93-E334 PolarHBondContact OH-OE1 3.21Å; R117-E334 IonicContact CZ-OE1 3.62Å; R117-E334 IonicContact CZ-OE2 2.87Å; R117-E334 IonicContact NE-OE1 2.7Å; R117-E334 PolarHBondContact NE-OE1 2.94Å; R117-E334 IonicContact NH2-OE1 2.8Å; R117-E334 PolarHBondContact NH2-OE1 3.49Å; R117-E334 IonicContact NH2-OE2 2.68Å; R117-E334 PolarHBondContact NH2-OE2 2.67Å; F331-E334 PolarHBondContact O-N 3.3Å

Retrieved 334 of 334 residues in 475.1 ms (Link to these results)

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